#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ctt n ASN 8 N 0.00 1.22 0.27 4.52 5.15 -1.26 -4.85 115.26 120.31 3ctt n ASN 8 Ca 0.00 1.13 0.17 0.00 -0.60 0.00 0.00 54.58 55.28 3ctt n ASN 8 Cb 0.00 -1.10 0.93 0.00 -0.53 0.00 0.00 39.78 39.07 3ctt n ASN 8 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 3ctt h GLU 9 N 4.32 0.00 0.00 1.20 4.11 -2.01 -1.11 114.58 121.08 3ctt h GLU 9 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3ctt h GLU 9 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3ctt h GLU 9 CO 0.76 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.77 3ctt h LEU 10 N 0.00 0.00 -1.47 3.06 3.38 -1.95 -2.97 115.31 115.35 3ctt h LEU 10 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ctt h LEU 10 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ctt h LEU 10 CO -0.00 0.00 -0.14 -0.62 0.09 0.00 0.00 178.44 177.77 3ctt n GLU 11 N -2.70 1.86 -2.04 1.13 1.02 -0.42 -2.83 120.64 116.66 3ctt n GLU 11 Ca 0.02 -1.47 -0.42 0.00 -0.02 0.00 0.00 57.16 55.27 3ctt n GLU 11 Cb 0.31 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 3ctt n GLU 11 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ctt s ARG 12 N -2.15 4.28 -0.30 3.49 0.52 -1.12 -4.93 118.95 118.73 3ctt s ARG 12 Ca 0.27 2.26 -0.07 0.00 -0.52 0.00 0.00 55.73 57.67 3ctt s ARG 12 Cb 0.20 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.52 3ctt s ARG 12 CO 0.39 -0.45 0.08 0.42 0.02 0.00 0.00 175.30 175.76 3ctt s ILE 13 N 0.46 3.98 0.07 1.52 -1.09 -1.26 -4.84 121.20 120.03 3ctt s ILE 13 Ca 0.62 -0.69 -0.31 0.00 -2.23 0.00 0.00 60.65 58.05 3ctt s ILE 13 Cb -0.41 -3.05 -0.09 0.00 -1.58 0.00 0.00 42.46 37.33 3ctt s ILE 13 CO 0.38 0.08 1.82 0.21 -1.23 0.00 0.00 174.94 176.19 3ctt s ASN 14 N 1.50 6.49 0.00 3.58 2.47 -1.26 -1.29 114.94 126.43 3ctt s ASN 14 Ca 0.03 2.63 0.24 0.00 0.42 0.00 0.00 52.86 56.17 3ctt s ASN 14 Cb -0.17 -2.55 0.25 0.00 -1.45 0.00 0.00 41.25 37.33 3ctt s ASN 14 CO 0.03 -0.99 1.24 0.00 -3.72 0.00 0.00 177.10 173.66 3ctt n ILE 16 N -1.50 1.37 0.90 0.00 5.41 -1.25 -4.92 119.36 119.37 3ctt n ILE 16 Ca 0.05 -4.77 0.13 0.00 1.00 0.00 0.00 62.75 59.17 3ctt n ILE 16 Cb 0.33 -2.07 0.50 0.00 -0.71 0.00 0.00 39.64 37.69 3ctt n ILE 16 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3ctt n PRO 17 N 1.52 0.07 0.00 0.38 -0.04 -1.26 -4.14 135.00 131.52 3ctt n PRO 17 Ca 0.25 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.85 3ctt n PRO 17 Cb 0.41 -1.57 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 3ctt n PRO 17 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ctt n ASP 18 N -1.69 1.20 -3.68 3.54 5.75 -1.26 -5.03 116.55 115.38 3ctt n ASP 18 Ca 0.06 -1.10 -0.08 0.00 -0.01 0.00 0.00 54.79 53.66 3ctt n ASP 18 Cb 0.36 0.81 -0.02 0.00 -1.03 0.00 0.00 41.12 41.25 3ctt n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ctt s GLN 19 N -2.52 1.46 0.20 0.11 -2.07 -1.26 -5.11 119.66 110.48 3ctt s GLN 19 Ca 0.10 -0.72 -0.32 0.00 -1.82 0.00 0.00 55.36 52.59 3ctt s GLN 19 Cb 0.14 0.55 -0.13 0.00 -1.09 0.00 0.00 33.01 32.49 3ctt s GLN 19 CO 0.65 -0.66 1.64 -0.35 -1.32 0.00 0.00 175.29 175.25 3ctt n PRO 20 N -0.42 2.52 -1.94 9.60 -0.04 -1.26 -4.91 135.00 138.55 3ctt n PRO 20 Ca -0.09 0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 63.86 3ctt n PRO 20 Cb 0.61 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 3ctt n PRO 20 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3ctt s PRO 21 N 0.80 4.21 0.12 0.54 0.04 -1.26 -5.04 135.00 134.41 3ctt s PRO 21 Ca 0.75 2.33 0.07 0.00 0.04 0.00 0.00 61.00 64.18 3ctt s PRO 21 Cb -0.57 -3.37 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 3ctt s PRO 21 CO 0.37 -0.66 -0.16 0.95 0.04 0.00 0.00 177.00 177.54 3ctt s THR 22 N 1.84 1.44 0.26 1.26 -4.23 -1.26 -5.04 115.64 109.91 3ctt s THR 22 Ca 0.71 -1.67 -0.04 0.00 -1.18 0.00 0.00 61.69 59.52 3ctt s THR 22 Cb -0.41 -1.52 0.19 0.00 1.34 0.00 0.00 72.50 72.09 3ctt s THR 22 CO 0.32 -0.32 1.85 0.50 -0.54 0.00 0.00 174.62 176.43 3ctt h LYS 23 N 3.66 1.03 -0.29 3.99 3.64 -1.98 -0.43 116.57 126.20 3ctt h LYS 23 Ca -0.41 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3ctt h LYS 23 Cb 1.19 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3ctt h LYS 23 CO 0.48 0.82 0.18 0.00 -2.27 0.00 0.00 179.45 178.65 3ctt h ALA 24 N 1.32 0.37 -0.62 5.00 0.00 -1.99 0.25 119.26 123.59 3ctt h ALA 24 Ca 0.24 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ctt h ALA 24 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ctt h ALA 24 CO -0.03 -0.13 0.04 1.15 0.00 0.00 0.00 179.25 180.28 3ctt h THR 25 N 0.38 1.26 -0.28 0.00 2.02 -1.97 -1.81 112.91 112.51 3ctt h THR 25 Ca 0.11 -1.10 0.05 0.00 0.77 0.00 0.00 66.41 66.24 3ctt h THR 25 Cb 0.00 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 3ctt h THR 25 CO -0.02 0.40 -0.05 0.00 0.37 0.00 0.00 175.52 176.22 3ctt h ASP 27 N 0.02 0.99 -0.24 0.00 3.32 -0.45 -1.79 116.42 118.26 3ctt h ASP 27 Ca 0.14 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3ctt h ASP 27 Cb 0.20 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3ctt h ASP 27 CO -0.27 1.01 0.06 -0.61 -1.72 0.00 0.00 179.24 177.70 3ctt h GLN 28 N 0.95 0.49 -0.01 3.56 5.75 -1.04 -2.39 115.11 122.42 3ctt h GLN 28 Ca 0.18 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3ctt h GLN 28 Cb 0.48 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.94 3ctt h GLN 28 CO 0.02 0.47 -0.16 0.54 -2.65 0.00 0.00 178.83 177.06 3ctt n ARG 29 N -4.33 0.86 -2.59 1.69 1.74 -0.77 -4.74 116.66 108.51 3ctt n ARG 29 Ca 0.02 -0.41 -0.10 0.00 -0.77 0.00 0.00 57.85 56.59 3ctt n ARG 29 Cb 0.20 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.16 3ctt n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ctt n GLY 30 N 1.29 0.16 1.92 -0.13 0.00 -0.90 -4.66 105.19 102.86 3ctt n GLY 30 Ca 0.14 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3ctt n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ctt s TRP 33 N -0.99 2.74 -0.41 0.00 -0.11 -1.26 -1.50 118.94 117.41 3ctt s TRP 33 Ca 0.16 -1.23 0.07 0.00 1.22 0.00 0.00 56.10 56.32 3ctt s TRP 33 Cb -0.12 -1.87 0.18 0.00 -1.50 0.00 0.00 33.47 30.16 3ctt s TRP 33 CO 0.06 -0.57 0.59 1.21 -4.62 0.00 0.00 176.95 173.61 3ctt s ASN 34 N 0.90 -1.04 0.00 5.86 3.84 -0.31 -5.03 114.94 119.16 3ctt s ASN 34 Ca -0.04 -1.01 0.03 0.00 0.21 0.00 0.00 52.86 52.04 3ctt s ASN 34 Cb -0.15 1.70 0.15 0.00 -0.55 0.00 0.00 41.25 42.40 3ctt s ASN 34 CO -0.02 -0.18 0.72 -2.65 -2.79 0.00 0.00 177.10 172.18 3ctt n PRO 35 N 4.27 0.60 -1.04 0.43 -0.02 -1.26 -4.13 135.00 133.84 3ctt n PRO 35 Ca 0.12 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 3ctt n PRO 35 Cb 0.55 -1.07 0.27 0.00 -0.02 0.00 0.00 33.50 33.23 3ctt n PRO 35 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3ctt n GLN 36 N -0.57 3.27 -2.03 -0.52 1.13 -1.26 -4.96 117.38 112.44 3ctt n GLN 36 Ca 0.02 -3.08 -0.25 0.00 -1.94 0.00 0.00 57.00 51.75 3ctt n GLN 36 Cb 0.01 -2.18 0.16 0.00 0.11 0.00 0.00 30.24 28.34 3ctt n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ctt n GLY 37 N -0.45 -0.69 2.65 1.08 0.00 -1.26 -5.11 105.19 101.41 3ctt n GLY 37 Ca 0.44 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 3ctt n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ctt n ALA 38 N -3.47 -1.37 -1.66 4.61 0.00 -1.26 -4.91 120.51 112.45 3ctt n ALA 38 Ca -0.18 -1.20 -0.46 0.00 0.00 0.00 0.00 53.44 51.59 3ctt n ALA 38 Cb 0.55 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 3ctt n ALA 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3ctt n VAL 39 N -3.48 0.18 0.00 0.00 3.14 -1.26 -2.02 118.33 114.88 3ctt n VAL 39 Ca 0.11 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3ctt n VAL 39 Cb 0.41 -1.44 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 3ctt n VAL 39 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3ctt n SER 40 N 3.08 0.00 -4.68 6.55 7.64 -1.26 -4.98 113.62 119.96 3ctt n SER 40 Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.62 3ctt n SER 40 Cb 0.28 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 3ctt n SER 40 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ctt s VAL 41 N -2.01 2.69 0.17 0.44 1.01 -0.86 -4.90 120.40 116.95 3ctt s VAL 41 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 3ctt s VAL 41 Cb 0.00 -3.04 -0.10 0.00 0.00 0.00 0.00 36.38 33.24 3ctt s VAL 41 CO 0.00 -0.00 1.50 -2.84 0.00 0.00 0.00 175.10 173.76 3ctt s PRO 42 N 3.20 4.25 0.29 2.72 0.02 -1.26 -4.84 135.00 139.38 3ctt s PRO 42 Ca 0.83 2.28 0.11 0.00 0.02 0.00 0.00 61.00 64.24 3ctt s PRO 42 Cb -0.45 -3.16 0.41 0.00 0.02 0.00 0.00 34.50 31.31 3ctt s PRO 42 CO 0.37 -0.52 1.64 -1.49 -0.33 0.00 0.00 177.00 176.67 3ctt h TRP 43 N 6.38 0.00 -3.15 6.54 4.06 -1.91 -3.42 115.95 124.46 3ctt h TRP 43 Ca -0.43 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 59.88 3ctt h TRP 43 Cb 1.21 0.00 -0.36 0.00 -1.00 0.00 0.00 29.16 29.01 3ctt h TRP 43 CO 0.64 0.58 -0.84 0.00 -3.56 0.00 0.00 178.44 175.26 3ctt s TYR 45 N 1.36 0.94 0.42 0.00 -0.85 -0.56 -1.11 117.35 117.55 3ctt s TYR 45 Ca 0.04 -0.90 -0.24 0.00 -0.52 0.00 0.00 57.07 55.44 3ctt s TYR 45 Cb -0.14 -0.53 -0.08 0.00 0.38 0.00 0.00 41.96 41.59 3ctt s TYR 45 CO -0.11 -0.12 1.15 0.71 -1.52 0.00 0.00 175.55 175.65 3ctt s TYR 46 N -3.59 3.05 0.75 -3.49 2.02 -0.41 0.32 117.35 115.99 3ctt s TYR 46 Ca 0.13 1.56 -0.11 0.00 -0.37 0.00 0.00 57.07 58.28 3ctt s TYR 46 Cb 0.05 -3.35 0.04 0.00 -0.40 0.00 0.00 41.96 38.30 3ctt s TYR 46 CO -0.04 -1.25 1.08 -1.54 -1.57 0.00 0.00 175.55 172.23 3ctt s SER 47 N -1.27 4.96 0.00 2.29 1.04 -1.26 -4.71 113.70 114.75 3ctt s SER 47 Ca 0.59 1.39 0.20 0.00 0.48 0.00 0.00 55.95 58.61 3ctt s SER 47 Cb -0.29 -2.19 0.87 0.00 0.10 0.00 0.00 66.02 64.51 3ctt s SER 47 CO 0.36 -1.68 1.64 0.29 0.98 0.00 0.00 173.24 174.82 3ctt n LYS 48 N -3.26 0.03 -3.68 4.02 5.02 -1.26 -4.52 118.16 114.52 3ctt n LYS 48 Ca 0.07 0.15 -0.10 0.00 -2.02 0.00 0.00 58.31 56.41 3ctt n LYS 48 Cb 0.55 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.96 3ctt n LYS 48 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3ctt s ASN 49 N -2.95 -0.39 0.00 4.39 3.84 -1.26 -4.87 114.94 113.70 3ctt s ASN 49 Ca 0.11 0.92 0.00 0.00 0.21 0.00 0.00 52.86 54.10 3ctt s ASN 49 Cb 0.13 0.98 0.00 0.00 -0.55 0.00 0.00 41.25 41.81 3ctt s ASN 49 CO 0.36 -0.21 0.00 1.57 -2.79 0.00 0.00 177.10 176.03 3ctt n HIS 50 N 4.72 0.00 -1.13 0.43 -0.00 -1.26 -5.15 115.22 112.82 3ctt n HIS 50 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 3ctt n HIS 50 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 3ctt n HIS 50 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3ctt n SER 51 N 0.00 0.00 -4.62 0.26 3.41 -1.26 -4.87 113.62 106.53 3ctt n SER 51 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 3ctt n SER 51 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3ctt n SER 51 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3ctt s TYR 52 N 0.00 2.69 0.10 7.33 1.51 -1.26 -1.51 117.35 126.21 3ctt s TYR 52 Ca 0.00 -0.21 0.08 0.00 -1.01 0.00 0.00 57.07 55.92 3ctt s TYR 52 Cb 0.00 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3ctt s TYR 52 CO 0.00 0.58 -0.19 -3.38 -1.11 0.00 0.00 175.55 171.44 3ctt s HIS 53 N -2.07 1.66 0.08 2.71 -3.43 -0.57 0.07 115.29 113.75 3ctt s HIS 53 Ca 0.29 -0.43 -0.31 0.00 -0.80 0.00 0.00 55.06 53.81 3ctt s HIS 53 Cb -0.07 -0.92 -0.07 0.00 -1.43 0.00 0.00 32.58 30.09 3ctt s HIS 53 CO 0.18 0.17 1.34 0.08 -2.00 0.00 0.00 174.74 174.52 3ctt s VAL 54 N -1.18 3.55 -0.27 -5.38 1.01 0.24 -0.71 120.40 117.65 3ctt s VAL 54 Ca 0.05 1.09 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 3ctt s VAL 54 Cb -0.10 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3ctt s VAL 54 CO 0.04 0.07 0.19 -0.70 0.00 0.00 0.00 175.10 174.70 3ctt s GLU 55 N 1.27 3.97 2.53 2.72 2.56 0.12 -4.88 118.70 126.98 3ctt s GLU 55 Ca 0.63 -0.30 0.00 0.00 0.00 0.00 0.00 54.97 55.30 3ctt s GLU 55 Cb -0.34 -3.64 0.00 0.00 2.00 0.00 0.00 34.13 32.15 3ctt s GLU 55 CO 0.29 -0.15 0.00 0.41 -0.56 0.00 0.00 175.26 175.26 3ctt n GLY 56 N 4.94 -0.87 3.90 -1.50 0.00 -1.26 -4.32 105.19 106.07 3ctt n GLY 56 Ca -0.14 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 3ctt n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ctt s ASN 57 N -4.00 6.50 0.50 1.61 0.01 -1.26 -5.00 114.94 113.29 3ctt s ASN 57 Ca 0.00 0.61 -0.22 0.00 -0.71 0.00 0.00 52.86 52.54 3ctt s ASN 57 Cb 0.00 -2.10 -0.06 0.00 0.41 0.00 0.00 41.25 39.50 3ctt s ASN 57 CO 0.00 0.03 1.23 -0.76 -1.51 0.00 0.00 177.10 176.08 3ctt s LEU 58 N -2.74 3.93 -0.18 0.60 1.02 -1.26 -4.69 118.68 115.36 3ctt s LEU 58 Ca 0.42 2.45 0.00 0.00 0.02 0.00 0.00 54.13 57.02 3ctt s LEU 58 Cb -0.12 -4.29 0.01 0.00 0.02 0.00 0.00 46.19 41.81 3ctt s LEU 58 CO 0.25 -1.18 -0.16 -0.69 0.02 0.00 0.00 176.35 174.59 3ctt s VAL 59 N -1.48 2.46 0.28 -1.59 1.01 -0.42 -4.97 120.40 115.69 3ctt s VAL 59 Ca 0.67 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 3ctt s VAL 59 Cb -0.32 -2.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.90 3ctt s VAL 59 CO 0.38 0.51 1.46 0.20 0.00 0.00 0.00 175.10 177.65 3ctt s ASN 60 N 1.15 6.58 0.45 3.32 0.01 -1.26 -1.36 114.94 123.83 3ctt s ASN 60 Ca 0.01 2.77 0.04 0.00 -0.71 0.00 0.00 52.86 54.97 3ctt s ASN 60 Cb -0.14 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.84 3ctt s ASN 60 CO -0.07 -0.74 0.02 0.42 -1.51 0.00 0.00 177.10 175.23 3ctt s THR 61 N -0.30 1.44 0.33 1.60 -4.23 -0.32 -4.92 115.64 109.25 3ctt s THR 61 Ca 0.58 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 3ctt s THR 61 Cb -0.43 -2.54 0.27 0.00 1.34 0.00 0.00 72.50 71.14 3ctt s THR 61 CO 0.48 0.00 1.98 0.78 -0.54 0.00 0.00 174.62 177.32 3ctt h ASN 62 N 1.60 0.80 1.01 3.99 -0.26 -1.97 -3.16 115.58 117.58 3ctt h ASN 62 Ca -0.43 -0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.11 3ctt h ASN 62 Cb 1.28 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 38.32 3ctt h ASN 62 CO 0.75 0.56 -1.05 0.00 -1.06 0.00 0.00 177.43 176.63 3ctt h ALA 63 N 1.56 0.58 0.00 -0.83 0.00 -1.88 0.91 119.26 119.60 3ctt h ALA 63 Ca 0.28 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3ctt h ALA 63 Cb -0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ctt h ALA 63 CO -0.07 1.05 0.00 0.41 0.00 0.00 0.00 179.25 180.64 3ctt n GLY 64 N 1.36 -1.06 3.54 0.00 0.00 -1.20 -0.35 105.19 107.48 3ctt n GLY 64 Ca -0.04 0.55 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 3ctt n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ctt s PHE 65 N 0.00 -0.42 0.19 1.61 -0.12 -0.83 -1.17 117.98 117.23 3ctt s PHE 65 Ca 0.00 0.17 0.09 0.00 -0.05 0.00 0.00 56.93 57.14 3ctt s PHE 65 Cb 0.00 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 3ctt s PHE 65 CO 0.00 -0.89 -0.18 0.95 -0.05 0.00 0.00 175.22 175.05 3ctt s THR 66 N -3.68 1.90 -0.02 -4.49 -4.23 -0.47 -0.41 115.64 104.24 3ctt s THR 66 Ca 0.04 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.48 3ctt s THR 66 Cb -0.02 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.88 3ctt s THR 66 CO -0.08 -0.37 0.09 0.00 -0.54 0.00 0.00 174.62 173.73 3ctt s ALA 67 N -2.25 -0.21 -0.20 3.99 0.00 0.06 -1.31 121.76 121.85 3ctt s ALA 67 Ca 0.19 -0.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 3ctt s ALA 67 Cb -0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3ctt s ALA 67 CO 0.08 -0.12 0.34 1.03 0.00 0.00 0.00 175.76 177.09 3ctt s ARG 68 N -0.66 4.16 -0.12 0.00 0.52 -1.26 -0.85 118.95 120.74 3ctt s ARG 68 Ca -0.07 0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.20 3ctt s ARG 68 Cb -0.05 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 3ctt s ARG 68 CO 0.00 0.01 -0.01 -0.51 0.02 0.00 0.00 175.30 174.82 3ctt s LEU 69 N 1.17 3.47 -0.10 2.53 1.43 0.81 0.11 118.68 128.10 3ctt s LEU 69 Ca 0.17 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3ctt s LEU 69 Cb -0.14 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3ctt s LEU 69 CO 0.07 0.28 -0.17 -0.75 0.23 0.00 0.00 176.35 176.01 3ctt s LYS 70 N -0.30 3.03 0.08 1.70 2.20 0.11 -0.65 119.74 125.91 3ctt s LYS 70 Ca 0.06 -0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 54.60 3ctt s LYS 70 Cb -0.12 -2.45 -0.09 0.00 -1.51 0.00 0.00 37.83 33.66 3ctt s LYS 70 CO 0.02 0.31 1.69 1.21 -0.36 0.00 0.00 175.35 178.22 3ctt s ASN 71 N 0.07 6.57 -0.42 1.43 2.47 -0.02 -1.51 114.94 123.52 3ctt s ASN 71 Ca -0.07 2.53 -0.29 0.00 0.42 0.00 0.00 52.86 55.45 3ctt s ASN 71 Cb -0.15 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.10 3ctt s ASN 71 CO 0.05 -0.91 1.31 -0.76 -3.72 0.00 0.00 177.10 173.07 3ctt s LEU 72 N 2.71 3.63 0.13 3.21 2.01 -0.57 -4.94 118.68 124.86 3ctt s LEU 72 Ca 0.75 0.75 -0.34 0.00 0.01 0.00 0.00 54.13 55.30 3ctt s LEU 72 Cb -0.41 -3.54 -0.17 0.00 0.01 0.00 0.00 46.19 42.08 3ctt s LEU 72 CO 0.33 -1.34 1.02 -2.65 1.01 0.00 0.00 176.35 174.73 3ctt n PRO 73 N 7.92 0.64 -2.74 1.29 -0.02 -1.26 -4.59 135.00 136.24 3ctt n PRO 73 Ca 0.15 0.23 -0.07 0.00 -2.02 0.00 0.00 63.50 61.79 3ctt n PRO 73 Cb 0.48 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 32.31 3ctt n PRO 73 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ctt n SER 74 N 1.89 -0.82 -4.75 2.55 2.88 -1.26 -5.01 113.62 109.10 3ctt n SER 74 Ca 0.17 -1.95 -0.41 0.00 -1.33 0.00 0.00 58.87 55.34 3ctt n SER 74 Cb 0.20 1.48 -0.02 0.00 -0.75 0.00 0.00 64.21 65.13 3ctt n SER 74 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3ctt s SER 75 N -2.12 6.48 -1.05 -3.46 0.01 -1.26 -4.95 113.70 107.35 3ctt s SER 75 Ca 0.14 2.85 -0.18 0.00 1.31 0.00 0.00 55.95 60.07 3ctt s SER 75 Cb -0.01 -2.63 0.12 0.00 0.21 0.00 0.00 66.02 63.71 3ctt s SER 75 CO 0.10 -0.82 1.32 -2.16 0.41 0.00 0.00 173.24 172.08 3ctt s PRO 76 N -0.64 3.75 -0.12 12.44 0.05 -1.26 -4.87 135.00 144.36 3ctt s PRO 76 Ca 0.61 -1.86 -0.14 0.00 0.05 0.00 0.00 61.00 59.66 3ctt s PRO 76 Cb -0.45 -5.09 -0.13 0.00 0.05 0.00 0.00 34.50 28.88 3ctt s PRO 76 CO 0.48 -1.90 0.36 0.28 0.05 0.00 0.00 177.00 176.27 3ctt h VAL 77 N 5.72 0.86 -0.97 -0.36 2.07 -1.99 -3.37 116.25 118.19 3ctt h VAL 77 Ca 0.23 -1.65 -0.62 0.00 0.82 0.00 0.00 66.70 65.48 3ctt h VAL 77 Cb 0.97 1.63 -0.37 0.00 -1.52 0.00 0.00 31.29 32.00 3ctt h VAL 77 CO 1.23 0.29 -0.04 0.49 0.02 0.00 0.00 177.57 179.57 3ctt n PHE 78 N -4.69 3.00 -1.57 1.57 3.01 -1.26 -5.03 117.46 112.50 3ctt n PHE 78 Ca -0.05 -2.61 0.00 0.00 1.01 0.00 0.00 57.45 55.80 3ctt n PHE 78 Cb 0.24 -0.81 0.00 0.00 -0.01 0.00 0.00 39.48 38.90 3ctt n PHE 78 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ctt n GLY 79 N -0.77 -1.27 3.54 1.37 0.00 -1.26 -4.55 105.19 102.25 3ctt n GLY 79 Ca 0.52 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 3ctt n GLY 79 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ctt n SER 80 N 0.12 1.95 -4.81 1.61 2.88 -1.26 -4.81 113.62 109.30 3ctt n SER 80 Ca 0.00 -0.42 -0.32 0.00 -1.33 0.00 0.00 58.87 56.80 3ctt n SER 80 Cb 0.00 -1.47 0.02 0.00 -0.75 0.00 0.00 64.21 62.01 3ctt n SER 80 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3ctt s ASN 81 N 11.66 5.68 -0.39 -3.46 3.84 -1.26 0.87 114.94 131.87 3ctt s ASN 81 Ca 1.05 1.74 -0.10 0.00 0.21 0.00 0.00 52.86 55.75 3ctt s ASN 81 Cb -0.36 -2.52 0.05 0.00 -0.55 0.00 0.00 41.25 37.88 3ctt s ASN 81 CO 0.30 -1.24 0.22 -0.69 -2.79 0.00 0.00 177.10 172.90 3ctt s VAL 82 N -2.67 4.35 0.12 -5.21 1.01 0.11 -4.79 120.40 113.31 3ctt s VAL 82 Ca 0.61 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3ctt s VAL 82 Cb -0.15 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 3ctt s VAL 82 CO 0.43 -0.35 1.33 0.44 0.00 0.00 0.00 175.10 176.95 3ctt h ASP 83 N 8.41 0.89 -3.79 3.32 3.32 -1.94 -3.42 116.42 123.20 3ctt h ASP 83 Ca -0.24 -0.57 -0.65 0.00 0.02 0.00 0.00 57.03 55.58 3ctt h ASP 83 Cb 1.09 -0.26 -0.37 0.00 0.22 0.00 0.00 39.33 40.00 3ctt h ASP 83 CO 0.70 1.37 -0.79 0.20 -1.72 0.00 0.00 179.24 179.00 3ctt s ASN 84 N -7.08 4.29 -0.05 6.45 -0.87 -1.26 -0.84 114.94 115.58 3ctt s ASN 84 Ca -0.10 -1.38 -0.02 0.00 -1.57 0.00 0.00 52.86 49.80 3ctt s ASN 84 Cb 0.09 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.25 39.84 3ctt s ASN 84 CO 0.90 -0.21 0.06 -0.69 -2.57 0.00 0.00 177.10 174.58 3ctt s VAL 85 N 1.18 4.67 -0.19 1.60 1.01 0.18 -0.16 120.40 128.68 3ctt s VAL 85 Ca -0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 3ctt s VAL 85 Cb -0.20 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3ctt s VAL 85 CO -0.06 0.49 0.00 -0.22 0.00 0.00 0.00 175.10 175.32 3ctt s LEU 86 N -1.28 3.31 -0.22 3.92 2.96 0.22 -0.14 118.68 127.45 3ctt s LEU 86 Ca 0.18 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 53.79 3ctt s LEU 86 Cb -0.12 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3ctt s LEU 86 CO 0.08 0.09 0.29 -0.22 -1.32 0.00 0.00 176.35 175.26 3ctt s LEU 87 N 0.87 4.14 -0.19 -0.68 2.96 -0.03 -1.27 118.68 124.48 3ctt s LEU 87 Ca 0.01 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 3ctt s LEU 87 Cb -0.14 -2.33 0.02 0.00 0.50 0.00 0.00 46.19 44.24 3ctt s LEU 87 CO 0.02 -0.00 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.97 3ctt s THR 88 N 1.15 2.09 -0.10 3.68 2.01 -0.27 -0.76 115.64 123.43 3ctt s THR 88 Ca 0.14 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 61.14 3ctt s THR 88 Cb -0.14 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 3ctt s THR 88 CO 0.06 0.47 -0.16 0.00 -0.69 0.00 0.00 174.62 174.31 3ctt s ALA 89 N 1.27 2.54 -0.12 7.40 0.00 0.45 -0.84 121.76 132.45 3ctt s ALA 89 Ca 0.03 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 3ctt s ALA 89 Cb -0.14 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.94 3ctt s ALA 89 CO -0.12 0.34 -0.10 -1.21 0.00 0.00 0.00 175.76 174.66 3ctt s GLU 90 N 0.07 1.83 -1.31 0.00 2.02 0.14 -1.97 118.70 119.47 3ctt s GLU 90 Ca -0.06 -0.38 -0.16 0.00 0.02 0.00 0.00 54.97 54.38 3ctt s GLU 90 Cb -0.15 -1.78 0.08 0.00 0.10 0.00 0.00 34.13 32.39 3ctt s GLU 90 CO 0.05 -0.24 1.77 0.66 0.02 0.00 0.00 175.26 177.52 3ctt n TYR 91 N 4.82 4.49 0.04 1.61 4.01 0.53 -1.41 117.16 131.25 3ctt n TYR 91 Ca -0.15 -2.94 -0.20 0.00 -0.16 0.00 0.00 57.90 54.46 3ctt n TYR 91 Cb 0.50 -2.54 -0.11 0.00 -0.31 0.00 0.00 39.34 36.89 3ctt n TYR 91 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3ctt h GLN 92 N 7.21 0.67 -4.16 -0.72 4.20 -1.73 -0.07 115.11 120.49 3ctt h GLN 92 Ca 0.45 -0.72 -0.20 0.00 0.06 0.00 0.00 58.65 58.23 3ctt h GLN 92 Cb 0.83 0.21 -0.11 0.00 0.30 0.00 0.00 27.48 28.70 3ctt h GLN 92 CO 1.50 1.30 -0.32 0.95 -0.67 0.00 0.00 178.83 181.59 3ctt s THR 93 N -3.30 0.00 0.63 -0.54 -4.23 -1.00 -4.53 115.64 102.68 3ctt s THR 93 Ca -0.10 -1.69 0.34 0.00 -1.18 0.00 0.00 61.69 59.06 3ctt s THR 93 Cb 0.06 -2.44 0.38 0.00 1.34 0.00 0.00 72.50 71.85 3ctt s THR 93 CO 0.91 0.00 2.18 0.28 -0.54 0.00 0.00 174.62 177.45 3ctt h SER 94 N 2.32 0.00 -0.00 3.99 0.02 -1.84 -3.10 113.55 114.94 3ctt h SER 94 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3ctt h SER 94 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3ctt h SER 94 CO 0.42 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.70 3ctt n ASN 95 N -3.45 1.11 -3.85 3.07 3.02 -1.26 -1.58 115.26 112.32 3ctt n ASN 95 Ca -0.01 -1.07 -0.26 0.00 -0.03 0.00 0.00 54.58 53.21 3ctt n ASN 95 Cb 0.21 -0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.21 3ctt n ASN 95 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3ctt s ARG 96 N -0.10 1.18 -0.10 3.52 3.52 -1.17 -0.56 118.95 125.22 3ctt s ARG 96 Ca 0.01 -0.20 -0.03 0.00 -0.13 0.00 0.00 55.73 55.38 3ctt s ARG 96 Cb 0.01 -1.50 -0.03 0.00 -1.56 0.00 0.00 34.95 31.86 3ctt s ARG 96 CO 0.01 -0.33 0.03 0.12 -0.81 0.00 0.00 175.30 174.32 3ctt s PHE 97 N 1.79 3.23 -0.10 5.12 5.36 0.18 -2.35 117.98 131.21 3ctt s PHE 97 Ca 0.04 0.21 0.03 0.00 -0.96 0.00 0.00 56.93 56.24 3ctt s PHE 97 Cb -0.13 -1.85 0.01 0.00 -0.34 0.00 0.00 43.02 40.71 3ctt s PHE 97 CO -0.07 0.45 -0.18 -1.58 -1.46 0.00 0.00 175.22 172.38 3ctt s HIS 98 N -0.71 2.14 0.02 10.12 5.65 -0.50 -0.35 115.29 131.67 3ctt s HIS 98 Ca 0.11 -0.94 0.02 0.00 0.25 0.00 0.00 55.06 54.50 3ctt s HIS 98 Cb -0.12 -1.49 -0.02 0.00 -1.18 0.00 0.00 32.58 29.78 3ctt s HIS 98 CO 0.02 -0.44 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.03 3ctt s PHE 99 N 0.70 0.54 0.01 3.88 -0.12 -0.35 0.23 117.98 122.86 3ctt s PHE 99 Ca -0.12 -0.35 0.01 0.00 -0.05 0.00 0.00 56.93 56.42 3ctt s PHE 99 Cb -0.16 -0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 41.89 3ctt s PHE 99 CO 0.03 -0.07 -0.04 -1.59 -0.05 0.00 0.00 175.22 173.50 3ctt s LYS 100 N -1.03 0.34 -0.22 1.99 -2.85 -0.02 -0.36 119.74 117.59 3ctt s LYS 100 Ca -0.06 -0.28 -0.05 0.00 -1.00 0.00 0.00 55.97 54.58 3ctt s LYS 100 Cb -0.07 -0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.42 3ctt s LYS 100 CO 0.00 0.06 -0.02 -0.51 0.10 0.00 0.00 175.35 174.99 3ctt s LEU 101 N -0.46 3.05 0.27 2.77 1.43 -0.23 -1.12 118.68 124.40 3ctt s LEU 101 Ca -0.02 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 3ctt s LEU 101 Cb -0.04 -1.78 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 3ctt s LEU 101 CO -0.00 0.00 0.06 0.42 0.23 0.00 0.00 176.35 177.06 3ctt s THR 102 N 1.36 0.86 -0.13 5.49 -4.23 -0.40 -3.48 115.64 115.12 3ctt s THR 102 Ca 0.04 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.26 3ctt s THR 102 Cb -0.14 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 3ctt s THR 102 CO -0.01 -0.09 0.99 -0.62 -0.54 0.00 0.00 174.62 174.35 3ctt s ASP 103 N -3.36 7.19 0.46 3.99 -1.08 -1.26 -0.61 116.67 122.00 3ctt s ASP 103 Ca 0.35 1.47 0.12 0.00 -0.52 0.00 0.00 52.55 53.97 3ctt s ASP 103 Cb 0.08 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 40.03 3ctt s ASP 103 CO 0.13 -0.46 2.07 -0.61 0.52 0.00 0.00 175.17 176.82 3ctt h GLN 104 N 7.16 0.22 -0.13 4.34 4.15 -0.85 -3.20 115.11 126.80 3ctt h GLN 104 Ca -0.30 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.10 3ctt h GLN 104 Cb 1.14 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3ctt h GLN 104 CO 0.86 0.20 0.00 0.25 -1.93 0.00 0.00 178.83 178.21 3ctt n THR 105 N -4.46 1.08 -3.72 2.39 -2.24 -1.26 -4.98 114.28 101.09 3ctt n THR 105 Ca -0.01 -1.08 -0.12 0.00 -2.27 0.00 0.00 64.05 60.58 3ctt n THR 105 Cb 0.12 0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 68.68 3ctt n THR 105 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3ctt s ASN 106 N -1.11 -0.39 0.16 3.42 0.02 -1.21 -5.14 114.94 110.69 3ctt s ASN 106 Ca 0.11 0.71 -0.31 0.00 -1.02 0.00 0.00 52.86 52.35 3ctt s ASN 106 Cb 0.06 0.62 -0.09 0.00 0.02 0.00 0.00 41.25 41.87 3ctt s ASN 106 CO 0.06 -0.17 1.41 0.20 0.02 0.00 0.00 177.10 178.63 3ctt s ASN 107 N 1.09 6.77 0.34 -1.22 0.02 -1.26 -4.23 114.94 116.45 3ctt s ASN 107 Ca -0.07 2.45 0.10 0.00 -1.02 0.00 0.00 52.86 54.31 3ctt s ASN 107 Cb -0.08 -2.60 -0.06 0.00 0.02 0.00 0.00 41.25 38.53 3ctt s ASN 107 CO -0.08 -0.67 -0.09 -0.13 0.02 0.00 0.00 177.10 176.15 3ctt s ARG 108 N 0.63 1.85 0.23 -0.60 0.52 -1.26 -5.06 118.95 115.26 3ctt s ARG 108 Ca 0.63 -1.91 -0.31 0.00 -0.52 0.00 0.00 55.73 53.62 3ctt s ARG 108 Cb -0.39 -1.73 -0.11 0.00 0.52 0.00 0.00 34.95 33.24 3ctt s ARG 108 CO 0.34 0.15 1.58 0.12 0.02 0.00 0.00 175.30 177.51 3ctt s PHE 109 N -2.60 2.92 -0.02 -0.53 5.36 -1.26 -4.97 117.98 116.89 3ctt s PHE 109 Ca 0.33 0.70 0.03 0.00 -0.96 0.00 0.00 56.93 57.03 3ctt s PHE 109 Cb 0.02 -4.00 -0.00 0.00 -0.34 0.00 0.00 43.02 38.70 3ctt s PHE 109 CO 0.17 -3.51 -0.11 -1.21 -1.46 0.00 0.00 175.22 169.10 3ctt s GLU 110 N 0.29 1.02 0.03 10.12 2.02 -1.26 -3.61 118.70 127.31 3ctt s GLU 110 Ca 0.67 -0.40 -0.33 0.00 0.02 0.00 0.00 54.97 54.93 3ctt s GLU 110 Cb -0.46 -0.96 -0.12 0.00 0.10 0.00 0.00 34.13 32.69 3ctt s GLU 110 CO 0.39 0.21 1.81 0.28 0.02 0.00 0.00 175.26 177.96 3ctt n VAL 111 N 2.98 0.41 -1.50 2.63 0.31 -1.26 -4.85 118.33 117.05 3ctt n VAL 111 Ca -0.16 -0.07 -0.38 0.00 -0.01 0.00 0.00 64.34 63.72 3ctt n VAL 111 Cb 0.55 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 3ctt n VAL 111 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3ctt n PRO 112 N 5.70 3.88 -1.85 5.55 -0.04 -1.26 -4.98 135.00 142.00 3ctt n PRO 112 Ca 0.20 -2.53 -0.41 0.00 -0.04 0.00 0.00 63.50 60.72 3ctt n PRO 112 Cb 0.32 -2.70 -0.01 0.00 -0.04 0.00 0.00 33.50 31.07 3ctt n PRO 112 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3ctt s HIS 113 N 1.05 2.73 0.13 0.54 2.46 -1.26 -4.94 115.29 116.00 3ctt s HIS 113 Ca 0.65 1.08 -0.11 0.00 0.47 0.00 0.00 55.06 57.15 3ctt s HIS 113 Cb 0.19 -3.98 -0.07 0.00 -0.13 0.00 0.00 32.58 28.60 3ctt s HIS 113 CO -0.07 -2.98 1.44 1.49 -2.47 0.00 0.00 174.74 172.14 3ctt h GLU 114 N 3.73 0.91 0.00 2.88 4.22 -1.96 -3.37 114.58 121.00 3ctt h GLU 114 Ca -0.49 -0.54 -0.09 0.00 0.08 0.00 0.00 59.36 58.33 3ctt h GLU 114 Cb 1.23 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3ctt h GLU 114 CO 0.70 1.18 -0.57 1.25 -2.18 0.00 0.00 179.01 179.39 3ctt h HIS 115 N 0.72 0.00 -2.70 0.92 2.76 -1.92 -3.47 115.15 111.47 3ctt h HIS 115 Ca 0.04 0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.68 3ctt h HIS 115 Cb 1.08 0.00 0.04 0.00 1.55 0.00 0.00 27.41 30.09 3ctt h HIS 115 CO 0.07 0.81 0.98 0.08 -1.30 0.00 0.00 177.93 178.58 3ctt s VAL 116 N -2.17 2.48 0.06 5.26 1.01 -1.26 -4.99 120.40 120.79 3ctt s VAL 116 Ca -0.19 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3ctt s VAL 116 Cb 0.02 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3ctt s VAL 116 CO 0.44 0.01 0.01 -1.10 0.00 0.00 0.00 175.10 174.47 3ctt s GLN 117 N 1.69 2.65 0.65 2.72 -0.21 -1.26 -4.76 119.66 121.15 3ctt s GLN 117 Ca 0.74 -0.76 -0.17 0.00 0.02 0.00 0.00 55.36 55.19 3ctt s GLN 117 Cb -0.45 -2.60 -0.03 0.00 1.00 0.00 0.00 33.01 30.92 3ctt s GLN 117 CO 0.33 0.57 0.89 -1.13 -2.12 0.00 0.00 175.29 173.82 3ctt n SER 118 N 0.78 0.34 -4.63 5.90 3.41 -1.26 -4.95 113.62 113.20 3ctt n SER 118 Ca -0.11 0.73 -0.38 0.00 -0.26 0.00 0.00 58.87 58.84 3ctt n SER 118 Cb 0.52 -1.36 -0.09 0.00 -0.26 0.00 0.00 64.21 63.02 3ctt n SER 118 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ctt s PHE 119 N -1.66 3.29 -0.57 7.33 5.36 -1.26 -4.97 117.98 125.50 3ctt s PHE 119 Ca 0.74 0.44 0.05 0.00 -0.96 0.00 0.00 56.93 57.20 3ctt s PHE 119 Cb -0.39 -2.51 0.18 0.00 -0.34 0.00 0.00 43.02 39.96 3ctt s PHE 119 CO 0.49 -0.12 0.44 -1.13 -1.46 0.00 0.00 175.22 173.45 3ctt n SER 120 N 4.91 1.52 -3.20 6.13 3.41 -1.26 -5.07 113.62 120.06 3ctt n SER 120 Ca -0.09 -2.86 -0.19 0.00 -0.26 0.00 0.00 58.87 55.46 3ctt n SER 120 Cb 0.51 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 3ctt n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ctt n GLY 121 N 2.26 3.06 3.88 5.00 0.00 -1.26 -5.15 105.19 112.97 3ctt n GLY 121 Ca 0.25 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 3ctt n GLY 121 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ctt s ASN 122 N -3.19 6.61 0.10 1.61 0.01 -1.26 -3.72 114.94 115.10 3ctt s ASN 122 Ca 0.33 0.92 -0.35 0.00 -0.71 0.00 0.00 52.86 53.05 3ctt s ASN 122 Cb 0.02 -2.22 -0.18 0.00 0.41 0.00 0.00 41.25 39.27 3ctt s ASN 122 CO 0.23 -0.09 0.99 0.00 -1.51 0.00 0.00 177.10 176.73 3ctt n ALA 123 N -0.21 -2.42 -1.55 0.60 0.00 0.32 -4.82 120.51 112.41 3ctt n ALA 123 Ca 0.00 0.52 -0.33 0.00 0.00 0.00 0.00 53.44 53.63 3ctt n ALA 123 Cb 0.53 -1.83 0.04 0.00 0.00 0.00 0.00 19.45 18.18 3ctt n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ctt s ALA 124 N -0.25 2.52 0.57 0.00 0.00 -0.04 -5.02 121.76 119.54 3ctt s ALA 124 Ca 0.79 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 3ctt s ALA 124 Cb -1.05 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 18.79 3ctt s ALA 124 CO 0.55 -1.18 0.82 0.00 0.00 0.00 0.00 175.76 175.95 3ctt s ALA 125 N -2.31 3.65 -1.21 0.00 0.00 -1.26 -4.65 121.76 115.98 3ctt s ALA 125 Ca 0.67 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 3ctt s ALA 125 Cb -0.20 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 3ctt s ALA 125 CO 0.40 -0.79 0.72 0.43 0.00 0.00 0.00 175.76 176.52 3ctt n SER 126 N -2.43 -3.90 -4.75 0.00 7.64 -1.26 -4.38 113.62 104.53 3ctt n SER 126 Ca 0.06 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.56 3ctt n SER 126 Cb 0.59 -3.51 -0.04 0.00 -1.01 0.00 0.00 64.21 60.24 3ctt n SER 126 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ctt s LEU 127 N -6.53 4.50 0.00 -3.43 1.43 -1.26 -4.69 118.68 108.70 3ctt s LEU 127 Ca 0.32 2.28 0.28 0.00 -1.03 0.00 0.00 54.13 55.98 3ctt s LEU 127 Cb -0.11 -3.62 1.00 0.00 0.03 0.00 0.00 46.19 43.49 3ctt s LEU 127 CO 0.85 -0.26 1.72 0.35 0.23 0.00 0.00 176.35 179.25 3ctt n THR 128 N 1.69 0.00 -4.33 5.49 -2.24 -0.62 -4.89 114.28 109.38 3ctt n THR 128 Ca 0.01 -0.09 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 3ctt n THR 128 Cb 0.45 0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.70 3ctt n THR 128 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3ctt s TYR 129 N -2.51 1.66 0.07 4.78 -0.85 -1.26 -1.77 117.35 117.47 3ctt s TYR 129 Ca 0.26 -0.58 0.08 0.00 -0.52 0.00 0.00 57.07 56.31 3ctt s TYR 129 Cb 0.20 -0.78 -0.03 0.00 0.38 0.00 0.00 41.96 41.72 3ctt s TYR 129 CO 0.50 0.32 -0.21 -1.14 -1.52 0.00 0.00 175.55 173.50 3ctt s GLN 130 N -3.57 1.31 -0.14 -3.49 0.74 -0.21 -4.79 119.66 109.52 3ctt s GLN 130 Ca 0.21 -1.03 0.01 0.00 0.05 0.00 0.00 55.36 54.60 3ctt s GLN 130 Cb -0.01 -1.49 -0.01 0.00 1.10 0.00 0.00 33.01 32.61 3ctt s GLN 130 CO 0.06 0.37 -0.16 0.08 -0.55 0.00 0.00 175.29 175.09 3ctt s VAL 131 N -0.93 2.69 -0.10 1.34 1.01 -1.26 -0.72 120.40 122.42 3ctt s VAL 131 Ca 0.07 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.31 3ctt s VAL 131 Cb -0.09 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.18 3ctt s VAL 131 CO 0.03 0.53 -0.21 -1.61 0.00 0.00 0.00 175.10 173.83 3ctt s GLU 132 N 0.57 2.78 -0.11 2.72 8.01 -0.49 -4.99 118.70 127.20 3ctt s GLU 132 Ca -0.10 -0.78 0.01 0.00 0.01 0.00 0.00 54.97 54.11 3ctt s GLU 132 Cb -0.16 -2.16 -0.02 0.00 -4.31 0.00 0.00 34.13 27.48 3ctt s GLU 132 CO 0.04 0.10 -0.15 0.42 0.01 0.00 0.00 175.26 175.68 3ctt s ILE 133 N 0.53 2.91 0.04 -1.63 -1.09 -1.26 -1.31 121.20 119.39 3ctt s ILE 133 Ca -0.15 -0.73 0.02 0.00 -2.23 0.00 0.00 60.65 57.57 3ctt s ILE 133 Cb -0.17 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 3ctt s ILE 133 CO 0.05 0.54 0.03 -0.44 -1.23 0.00 0.00 174.94 173.90 3ctt s SER 134 N 0.12 5.28 -0.25 3.58 0.01 -0.69 -4.97 113.70 116.77 3ctt s SER 134 Ca -0.07 -0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.13 3ctt s SER 134 Cb -0.15 -1.38 -0.17 0.00 0.21 0.00 0.00 66.02 64.53 3ctt s SER 134 CO 0.05 0.23 -0.19 0.54 0.41 0.00 0.00 173.24 174.28 3ctt n ARG 135 N 0.93 0.64 -3.53 12.44 1.74 -1.26 -2.64 116.66 124.99 3ctt n ARG 135 Ca -0.12 0.20 -0.29 0.00 -0.77 0.00 0.00 57.85 56.87 3ctt n ARG 135 Cb 0.52 -1.54 -0.12 0.00 -1.02 0.00 0.00 32.46 30.30 3ctt n ARG 135 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3ctt s GLN 136 N -2.52 0.86 0.62 5.56 -1.52 -1.26 -0.59 119.66 120.81 3ctt s GLN 136 Ca -0.34 -1.69 -0.03 0.00 -1.95 0.00 0.00 55.36 51.34 3ctt s GLN 136 Cb 0.10 -1.65 0.04 0.00 -0.22 0.00 0.00 33.01 31.28 3ctt s GLN 136 CO 0.59 -1.23 0.89 -1.25 -0.25 0.00 0.00 175.29 174.05 3ctt s PRO 137 N 0.64 2.46 0.22 2.91 0.04 -1.26 -5.10 135.00 134.91 3ctt s PRO 137 Ca 0.21 -0.42 -0.32 0.00 0.04 0.00 0.00 61.00 60.50 3ctt s PRO 137 Cb -0.18 -2.32 -0.13 0.00 0.04 0.00 0.00 34.50 31.91 3ctt s PRO 137 CO -0.03 -0.93 1.61 0.34 0.04 0.00 0.00 177.00 178.03 3ctt n PHE 138 N -2.62 2.55 -3.73 0.56 -0.00 0.11 -4.74 117.46 109.59 3ctt n PHE 138 Ca 0.07 0.21 -0.13 0.00 -0.00 0.00 0.00 57.45 57.60 3ctt n PHE 138 Cb 0.60 -2.59 -0.08 0.00 -0.00 0.00 0.00 39.48 37.41 3ctt n PHE 138 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3ctt s SER 139 N 0.82 -0.23 -0.07 -2.13 1.04 -1.08 -4.81 113.70 107.23 3ctt s SER 139 Ca 0.73 0.10 0.05 0.00 0.48 0.00 0.00 55.95 57.31 3ctt s SER 139 Cb -0.57 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 3ctt s SER 139 CO 0.40 -0.50 -0.24 -0.51 0.98 0.00 0.00 173.24 173.37 3ctt s ILE 140 N -1.56 1.97 -0.02 -1.02 2.07 -1.26 -1.71 121.20 119.66 3ctt s ILE 140 Ca -0.12 -1.00 0.04 0.00 -1.41 0.00 0.00 60.65 58.16 3ctt s ILE 140 Cb -0.04 -1.69 -0.00 0.00 0.13 0.00 0.00 42.46 40.86 3ctt s ILE 140 CO 0.03 0.55 -0.13 -0.75 -1.91 0.00 0.00 174.94 172.72 3ctt s LYS 141 N 0.08 1.27 -0.13 3.50 2.20 -0.43 -0.99 119.74 125.24 3ctt s LYS 141 Ca -0.10 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 3ctt s LYS 141 Cb -0.15 -1.17 0.01 0.00 -1.51 0.00 0.00 37.83 35.01 3ctt s LYS 141 CO 0.06 0.23 -0.18 0.08 -0.36 0.00 0.00 175.35 175.18 3ctt s VAL 142 N -0.07 1.77 0.12 4.02 1.01 0.90 -1.39 120.40 126.76 3ctt s VAL 142 Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.29 3ctt s VAL 142 Cb -0.08 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3ctt s VAL 142 CO 0.00 0.49 -0.22 0.42 0.00 0.00 0.00 175.10 175.80 3ctt s THR 143 N 1.04 2.60 -0.12 3.92 -4.23 0.10 -0.31 115.64 118.65 3ctt s THR 143 Ca -0.04 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 58.59 3ctt s THR 143 Cb -0.15 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 3ctt s THR 143 CO -0.04 0.10 0.99 -0.60 -0.54 0.00 0.00 174.62 174.53 3ctt s ARG 144 N -2.08 4.40 0.12 3.99 3.52 -0.06 -1.05 118.95 127.79 3ctt s ARG 144 Ca 0.16 1.35 -0.18 0.00 -0.13 0.00 0.00 55.73 56.94 3ctt s ARG 144 Cb -0.10 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 3ctt s ARG 144 CO 0.08 -0.35 1.72 -0.09 -0.81 0.00 0.00 175.30 175.85 3ctt h ARG 145 N 7.15 0.43 -0.30 5.12 2.43 -1.65 0.67 114.38 128.23 3ctt h ARG 145 Ca -0.30 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 58.89 3ctt h ARG 145 Cb 1.14 -0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.53 3ctt h ARG 145 CO 0.87 0.38 -0.24 0.66 -1.51 0.00 0.00 179.97 180.13 3ctt h SER 146 N 0.37 -0.77 -0.07 -3.80 4.64 -1.93 -3.20 113.55 108.78 3ctt h SER 146 Ca 0.11 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3ctt h SER 146 Cb 0.08 0.38 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3ctt h SER 146 CO -0.02 -0.27 0.00 -0.46 -0.87 0.00 0.00 176.83 175.22 3ctt n ASN 147 N -5.38 2.09 -3.09 4.97 0.23 -1.23 -4.99 115.26 107.86 3ctt n ASN 147 Ca 0.00 -1.88 -0.19 0.00 -0.53 0.00 0.00 54.58 51.98 3ctt n ASN 147 Cb 0.29 -0.05 -0.01 0.00 -2.08 0.00 0.00 39.78 37.94 3ctt n ASN 147 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3ctt n ASN 148 N -0.20 -3.50 -4.70 0.53 5.03 0.23 -4.91 115.26 107.74 3ctt n ASN 148 Ca 0.03 -0.19 -0.42 0.00 0.87 0.00 0.00 54.58 54.86 3ctt n ASN 148 Cb 0.26 -2.93 -0.03 0.00 -1.02 0.00 0.00 39.78 36.06 3ctt n ASN 148 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 3ctt s ARG 149 N -5.71 4.34 -0.16 3.52 6.06 -1.17 -4.73 118.95 121.10 3ctt s ARG 149 Ca 0.28 1.90 -0.29 0.00 -2.50 0.00 0.00 55.73 55.12 3ctt s ARG 149 Cb -0.15 -3.42 -0.01 0.00 0.06 0.00 0.00 34.95 31.43 3ctt s ARG 149 CO 0.34 -0.43 1.25 0.08 -2.50 0.00 0.00 175.30 174.03 3ctt s VAL 150 N 1.66 4.31 -0.15 7.11 1.01 -1.26 -0.89 120.40 132.19 3ctt s VAL 150 Ca 0.62 1.58 -0.14 0.00 0.00 0.00 0.00 61.98 64.03 3ctt s VAL 150 Cb -0.31 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3ctt s VAL 150 CO 0.28 -0.13 -0.28 0.18 0.00 0.00 0.00 175.10 175.14 3ctt n LEU 151 N 6.53 1.72 -4.65 3.92 4.77 0.58 -4.28 117.00 125.58 3ctt n LEU 151 Ca 0.14 0.36 -0.35 0.00 -0.03 0.00 0.00 56.01 56.13 3ctt n LEU 151 Cb 0.45 -0.74 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 3ctt n LEU 151 CO 0.56 -0.33 -0.28 0.12 -1.33 0.00 0.00 177.39 176.12 3ctt s PHE 152 N -2.58 3.21 -0.32 -1.77 5.36 -0.99 -4.42 117.98 116.47 3ctt s PHE 152 Ca -0.23 0.10 0.03 0.00 -0.96 0.00 0.00 56.93 55.87 3ctt s PHE 152 Cb 0.03 -1.93 0.16 0.00 -0.34 0.00 0.00 43.02 40.95 3ctt s PHE 152 CO 0.34 0.30 0.44 0.34 -1.46 0.00 0.00 175.22 175.19 3ctt s ASP 153 N -0.26 0.17 0.00 6.13 2.15 -1.26 -0.07 116.67 123.53 3ctt s ASP 153 Ca 0.07 -0.66 0.12 0.00 0.43 0.00 0.00 52.55 52.51 3ctt s ASP 153 Cb -0.12 1.16 0.57 0.00 -0.30 0.00 0.00 42.92 44.23 3ctt s ASP 153 CO 0.02 -0.31 1.37 -1.54 -0.17 0.00 0.00 175.17 174.54 3ctt n SER 154 N 4.99 0.00 0.11 -0.34 3.41 -0.16 -1.83 113.62 119.80 3ctt n SER 154 Ca 0.05 0.35 0.10 0.00 -0.26 0.00 0.00 58.87 59.10 3ctt n SER 154 Cb 0.50 -0.42 0.44 0.00 -0.26 0.00 0.00 64.21 64.47 3ctt n SER 154 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ctt n SER 155 N -1.42 0.46 0.24 4.04 3.41 -1.26 -2.22 113.62 116.88 3ctt n SER 155 Ca 0.04 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 3ctt n SER 155 Cb 0.13 -0.73 0.59 0.00 -0.26 0.00 0.00 64.21 63.93 3ctt n SER 155 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3ctt h ILE 156 N 0.00 0.97 -3.96 -1.33 2.10 -1.90 -3.46 117.51 109.92 3ctt h ILE 156 Ca 0.00 -0.52 -0.29 0.00 1.08 0.00 0.00 64.86 65.13 3ctt h ILE 156 Cb 0.21 1.29 -0.07 0.00 -1.09 0.00 0.00 36.82 37.15 3ctt h ILE 156 CO 0.00 0.14 -0.20 0.61 -1.08 0.00 0.00 178.15 177.62 3ctt n GLY 157 N -1.01 2.45 3.80 8.18 0.00 -0.94 -4.76 105.19 112.92 3ctt n GLY 157 Ca -0.02 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 3ctt n GLY 157 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ctt s PRO 158 N -2.83 2.05 -0.17 1.61 0.04 -1.26 -4.84 135.00 129.61 3ctt s PRO 158 Ca 0.28 0.63 -0.18 0.00 0.04 0.00 0.00 61.00 61.77 3ctt s PRO 158 Cb -0.00 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3ctt s PRO 158 CO 0.20 -1.64 0.48 -1.17 0.04 0.00 0.00 177.00 174.91 3ctt s LEU 159 N -5.79 4.20 -0.07 -3.56 2.96 -1.26 -4.33 118.68 110.83 3ctt s LEU 159 Ca 0.61 0.70 0.04 0.00 -0.22 0.00 0.00 54.13 55.26 3ctt s LEU 159 Cb -0.14 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 3ctt s LEU 159 CO 0.54 -0.08 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.55 3ctt s LEU 160 N 1.15 2.52 -0.46 -0.68 1.43 -0.60 -4.44 118.68 117.60 3ctt s LEU 160 Ca 0.24 -0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3ctt s LEU 160 Cb -0.15 -1.51 0.18 0.00 0.03 0.00 0.00 46.19 44.74 3ctt s LEU 160 CO 0.09 0.27 0.54 0.12 0.23 0.00 0.00 176.35 177.61 3ctt s PHE 161 N -0.30 -0.43 0.31 0.29 5.99 -1.24 -1.32 117.98 121.28 3ctt s PHE 161 Ca 0.02 -1.29 0.07 0.00 0.00 0.00 0.00 56.93 55.72 3ctt s PHE 161 Cb -0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 43.02 42.64 3ctt s PHE 161 CO 0.03 -1.07 0.39 0.00 -0.00 0.00 0.00 175.22 174.56 3ctt s ALA 162 N 0.59 4.04 0.45 11.12 0.00 0.81 0.04 121.76 138.82 3ctt s ALA 162 Ca 0.30 -1.47 0.24 0.00 0.00 0.00 0.00 51.96 51.04 3ctt s ALA 162 Cb 0.01 -1.53 1.26 0.00 0.00 0.00 0.00 23.12 22.85 3ctt s ALA 162 CO -0.11 0.04 1.79 0.22 0.00 0.00 0.00 175.76 177.71 3ctt h ASP 163 N 1.07 0.29 0.00 0.00 3.58 0.17 -2.72 116.42 118.82 3ctt h ASP 163 Ca -0.47 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 56.94 3ctt h ASP 163 Cb 1.25 0.01 -0.22 0.00 1.72 0.00 0.00 39.33 42.09 3ctt h ASP 163 CO 0.56 0.06 -0.77 0.00 -2.88 0.00 0.00 179.24 176.20 3ctt n GLN 164 N -4.48 0.55 -3.21 0.28 6.02 -1.26 -4.49 117.38 110.80 3ctt n GLN 164 Ca 0.25 -2.34 0.00 0.00 -0.01 0.00 0.00 57.00 54.89 3ctt n GLN 164 Cb 0.98 -0.62 -0.03 0.00 1.02 0.00 0.00 30.24 31.59 3ctt n GLN 164 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3ctt s PHE 165 N -1.14 -1.42 -0.05 1.08 5.36 -1.02 -4.45 117.98 116.33 3ctt s PHE 165 Ca 0.32 1.36 0.05 0.00 -0.96 0.00 0.00 56.93 57.69 3ctt s PHE 165 Cb 0.34 0.37 -0.00 0.00 -0.34 0.00 0.00 43.02 43.39 3ctt s PHE 165 CO -0.11 -0.87 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.07 3ctt s LEU 166 N 2.77 1.95 -0.10 6.12 1.02 0.91 -0.13 118.68 131.21 3ctt s LEU 166 Ca 0.17 -0.40 -0.06 0.00 0.02 0.00 0.00 54.13 53.86 3ctt s LEU 166 Cb -0.14 -1.09 0.04 0.00 0.02 0.00 0.00 46.19 45.02 3ctt s LEU 166 CO -0.21 0.17 0.24 -1.58 0.02 0.00 0.00 176.35 174.99 3ctt s GLN 167 N 0.06 0.22 0.00 1.70 0.74 -0.44 -0.44 119.66 121.50 3ctt s GLN 167 Ca -0.06 0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.83 3ctt s GLN 167 Cb -0.13 -0.06 -0.00 0.00 1.10 0.00 0.00 33.01 33.92 3ctt s GLN 167 CO 0.03 -0.13 -0.01 -1.17 -0.55 0.00 0.00 175.29 173.46 3ctt s LEU 168 N 0.96 2.04 0.33 3.68 2.96 -0.96 -1.56 118.68 126.13 3ctt s LEU 168 Ca -0.07 -0.08 0.08 0.00 -0.22 0.00 0.00 54.13 53.84 3ctt s LEU 168 Cb -0.08 -0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 3ctt s LEU 168 CO -0.06 -0.04 0.16 -0.44 -1.32 0.00 0.00 176.35 174.64 3ctt s SER 169 N -0.23 4.82 -0.08 3.68 0.01 -1.26 -1.22 113.70 119.42 3ctt s SER 169 Ca -0.02 -0.68 -0.05 0.00 1.31 0.00 0.00 55.95 56.51 3ctt s SER 169 Cb -0.02 -0.82 0.03 0.00 0.21 0.00 0.00 66.02 65.42 3ctt s SER 169 CO -0.00 -0.26 0.18 0.28 0.41 0.00 0.00 173.24 173.85 3ctt s THR 170 N -2.38 -0.03 0.90 1.44 -1.32 0.10 -3.96 115.64 110.40 3ctt s THR 170 Ca 0.37 0.09 -0.10 0.00 -1.21 0.00 0.00 61.69 60.84 3ctt s THR 170 Cb -0.04 -0.28 0.14 0.00 -1.51 0.00 0.00 72.50 70.81 3ctt s THR 170 CO 0.23 0.04 1.16 -0.13 -2.21 0.00 0.00 174.62 173.71 3ctt s ARG 171 N 0.73 1.08 0.00 7.08 0.52 -0.76 -0.53 118.95 127.07 3ctt s ARG 171 Ca -0.05 1.59 0.04 0.00 -0.52 0.00 0.00 55.73 56.79 3ctt s ARG 171 Cb -0.07 -1.73 -0.01 0.00 0.52 0.00 0.00 34.95 33.66 3ctt s ARG 171 CO -0.04 -2.60 -0.13 -0.51 0.02 0.00 0.00 175.30 172.04 3ctt s LEU 172 N -6.49 2.07 0.00 2.53 1.43 -0.86 -4.04 118.68 113.31 3ctt s LEU 172 Ca 0.68 -0.29 0.22 0.00 -1.03 0.00 0.00 54.13 53.71 3ctt s LEU 172 Cb -0.24 -0.63 1.00 0.00 0.03 0.00 0.00 46.19 46.34 3ctt s LEU 172 CO 0.57 0.12 1.71 -0.81 0.23 0.00 0.00 176.35 178.17 3ctt n PRO 173 N 2.53 0.10 -3.85 1.29 -0.04 -1.26 -4.50 135.00 129.27 3ctt n PRO 173 Ca -0.15 0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.35 3ctt n PRO 173 Cb 0.55 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 3ctt n PRO 173 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3ctt s SER 174 N -2.87 -0.24 -0.01 3.54 1.04 -1.26 -4.98 113.70 108.92 3ctt s SER 174 Ca 0.14 -0.60 0.17 0.00 0.48 0.00 0.00 55.95 56.14 3ctt s SER 174 Cb 0.15 0.70 0.51 0.00 0.10 0.00 0.00 66.02 67.48 3ctt s SER 174 CO 0.38 -1.30 1.42 0.35 0.98 0.00 0.00 173.24 175.07 3ctt n THR 175 N -0.46 0.81 -2.59 2.02 -2.24 -1.26 -4.71 114.28 105.85 3ctt n THR 175 Ca -0.04 -0.77 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 3ctt n THR 175 Cb 0.59 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3ctt n THR 175 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ctt n ASN 176 N 1.15 5.02 -4.31 3.42 3.02 -1.26 -4.67 115.26 117.63 3ctt n ASN 176 Ca 0.19 -3.00 -0.33 0.00 -0.03 0.00 0.00 54.58 51.41 3ctt n ASN 176 Cb 0.50 -1.57 -0.15 0.00 -0.61 0.00 0.00 39.78 37.94 3ctt n ASN 176 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ctt s VAL 177 N 1.68 2.72 -0.01 2.41 1.01 -1.26 -1.27 120.40 125.67 3ctt s VAL 177 Ca 0.44 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.67 3ctt s VAL 177 Cb 0.04 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3ctt s VAL 177 CO 0.01 0.53 -0.08 -0.31 0.00 0.00 0.00 175.10 175.25 3ctt s TYR 178 N 0.48 0.69 -2.01 5.22 2.02 -0.23 -0.85 117.35 122.67 3ctt s TYR 178 Ca -0.11 -0.13 0.00 0.00 -0.37 0.00 0.00 57.07 56.46 3ctt s TYR 178 Cb -0.16 -0.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 3ctt s TYR 178 CO 0.05 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.42 3ctt n GLY 179 N 2.92 0.68 1.22 0.71 0.00 -1.26 -0.82 105.19 108.64 3ctt n GLY 179 Ca -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.75 3ctt n GLY 179 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ctt n LEU 180 N 0.00 -1.53 -3.97 0.99 4.77 0.79 -4.95 117.00 113.11 3ctt n LEU 180 Ca 0.00 2.27 0.02 0.00 -0.03 0.00 0.00 56.01 58.27 3ctt n LEU 180 Cb 0.00 -2.17 0.01 0.00 -2.33 0.00 0.00 43.42 38.93 3ctt n LEU 180 CO 0.00 -0.29 1.09 -0.83 -1.33 0.00 0.00 177.39 176.03 3ctt s GLY 181 N -4.25 -0.13 -0.16 -0.72 0.00 -0.09 -4.63 107.32 97.34 3ctt s GLY 181 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 44.72 44.61 3ctt s GLY 181 CO 0.00 5.23 0.40 1.85 0.00 0.00 0.00 173.10 180.58 3ctt s GLU 182 N -2.05 4.26 0.16 2.90 2.12 -0.39 -0.71 118.70 124.99 3ctt s GLU 182 Ca 0.28 0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.81 3ctt s GLU 182 Cb -0.00 -3.47 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 3ctt s GLU 182 CO -0.01 0.10 0.25 -1.01 -0.54 0.00 0.00 175.26 174.05 3ctt s HIS 183 N 0.86 0.50 -0.68 5.30 3.76 -1.26 -1.58 115.29 122.17 3ctt s HIS 183 Ca 0.21 -0.86 -0.18 0.00 -0.15 0.00 0.00 55.06 54.09 3ctt s HIS 183 Cb -0.14 -0.13 0.13 0.00 1.11 0.00 0.00 32.58 33.55 3ctt s HIS 183 CO 0.08 -0.69 0.76 0.08 -0.85 0.00 0.00 174.74 174.11 3ctt s VAL 184 N -3.99 4.99 -0.59 -0.90 1.01 -1.26 -4.88 120.40 114.78 3ctt s VAL 184 Ca 0.19 -1.41 0.25 0.00 0.00 0.00 0.00 61.98 61.00 3ctt s VAL 184 Cb 0.04 -4.52 0.30 0.00 0.00 0.00 0.00 36.38 32.20 3ctt s VAL 184 CO 0.01 -1.14 1.68 0.45 0.00 0.00 0.00 175.10 176.09 3ctt h HIS 185 N 8.84 0.00 0.00 5.22 3.86 -1.93 -3.41 115.15 127.73 3ctt h HIS 185 Ca -0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3ctt h HIS 185 Cb 1.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3ctt h HIS 185 CO 0.91 0.00 0.00 1.04 0.86 0.00 0.00 177.93 180.74 3ctt n GLN 186 N -2.64 0.00 -3.71 2.45 6.02 -1.26 -4.84 117.38 113.40 3ctt n GLN 186 Ca 0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.83 3ctt n GLN 186 Cb 0.48 -0.04 -0.03 0.00 1.02 0.00 0.00 30.24 31.66 3ctt n GLN 186 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ctt s GLN 187 N 0.00 2.70 -0.22 -1.09 -0.21 -1.26 -4.73 119.66 114.85 3ctt s GLN 187 Ca 0.00 -1.34 -0.13 0.00 0.02 0.00 0.00 55.36 53.91 3ctt s GLN 187 Cb 0.00 -2.48 -0.18 0.00 1.00 0.00 0.00 33.01 31.35 3ctt s GLN 187 CO 0.00 0.01 0.02 0.98 -2.12 0.00 0.00 175.29 174.18 3ctt n TYR 188 N -1.44 0.64 -2.30 0.91 9.36 -1.26 -4.83 117.16 118.24 3ctt n TYR 188 Ca -0.00 0.22 -0.42 0.00 3.32 0.00 0.00 57.90 61.01 3ctt n TYR 188 Cb 0.60 -1.07 -0.03 0.00 -0.63 0.00 0.00 39.34 38.21 3ctt n TYR 188 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3ctt s ARG 189 N -2.47 4.28 -0.03 2.98 3.52 -1.26 -4.59 118.95 121.39 3ctt s ARG 189 Ca -0.31 1.85 -0.30 0.00 -0.13 0.00 0.00 55.73 56.84 3ctt s ARG 189 Cb 0.09 -3.64 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 3ctt s ARG 189 CO 0.60 -0.59 1.75 -1.01 -0.81 0.00 0.00 175.30 175.25 3ctt s HIS 190 N 2.67 1.76 -0.95 5.12 3.76 -0.02 -4.90 115.29 122.73 3ctt s HIS 190 Ca 0.61 -0.01 -0.16 0.00 -0.15 0.00 0.00 55.06 55.35 3ctt s HIS 190 Cb -0.28 -4.02 -0.28 0.00 1.11 0.00 0.00 32.58 29.11 3ctt s HIS 190 CO 0.23 -4.39 2.30 -3.47 -0.85 0.00 0.00 174.74 168.57 3ctt n ASP 191 N 7.27 -0.58 0.00 1.40 2.03 -1.26 -4.69 116.55 120.72 3ctt n ASP 191 Ca 0.18 -0.53 0.05 0.00 0.52 0.00 0.00 54.79 55.02 3ctt n ASP 191 Cb 0.42 -0.79 0.32 0.00 -0.72 0.00 0.00 41.12 40.35 3ctt n ASP 191 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3ctt n MET 192 N 6.63 0.87 -1.38 -0.67 2.81 -1.26 -4.71 117.12 119.41 3ctt n MET 192 Ca 0.64 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 56.23 3ctt n MET 192 Cb 0.17 -1.19 0.13 0.00 -0.71 0.00 0.00 33.22 31.62 3ctt n MET 192 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3ctt s ASN 193 N -1.47 3.59 -0.37 7.83 0.02 -1.26 -0.83 114.94 122.45 3ctt s ASN 193 Ca 0.16 1.24 -0.31 0.00 -1.02 0.00 0.00 52.86 52.94 3ctt s ASN 193 Cb 0.07 -1.91 -0.09 0.00 0.02 0.00 0.00 41.25 39.34 3ctt s ASN 193 CO 0.12 -2.53 2.28 0.79 0.02 0.00 0.00 177.10 177.78 3ctt n TRP 194 N -3.79 1.62 -3.72 2.20 7.02 -1.25 -4.34 117.44 115.18 3ctt n TRP 194 Ca 0.06 0.11 -0.12 0.00 -1.02 0.00 0.00 57.50 56.54 3ctt n TRP 194 Cb 0.57 -2.61 -0.12 0.00 -2.42 0.00 0.00 31.31 26.73 3ctt n TRP 194 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3ctt s LYS 195 N 6.86 0.27 -0.17 -0.99 -0.14 -0.37 -4.99 119.74 120.20 3ctt s LYS 195 Ca 1.06 0.61 -0.04 0.00 -1.36 0.00 0.00 55.97 56.24 3ctt s LYS 195 Cb -0.57 -0.08 -0.03 0.00 -1.68 0.00 0.00 37.83 35.47 3ctt s LYS 195 CO 0.40 -0.16 -0.02 0.99 -0.76 0.00 0.00 175.35 175.80 3ctt s THR 196 N 1.28 3.97 -0.28 2.17 2.01 -1.26 0.43 115.64 123.96 3ctt s THR 196 Ca -0.09 -0.32 -0.04 0.00 0.31 0.00 0.00 61.69 61.55 3ctt s THR 196 Cb -0.10 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.68 3ctt s THR 196 CO -0.10 0.47 0.01 0.26 -0.69 0.00 0.00 174.62 174.57 3ctt s TRP 197 N 0.62 3.14 0.36 4.92 0.52 0.23 -4.94 118.94 123.78 3ctt s TRP 197 Ca -0.01 -1.38 -0.25 0.00 0.02 0.00 0.00 56.10 54.48 3ctt s TRP 197 Cb -0.14 -2.15 -0.10 0.00 -1.15 0.00 0.00 33.47 29.92 3ctt s TRP 197 CO 0.02 -0.69 0.95 -1.25 0.02 0.00 0.00 176.95 176.00 3ctt s PRO 198 N 1.38 4.48 -0.22 4.98 0.04 -1.26 -0.50 135.00 143.90 3ctt s PRO 198 Ca 0.00 1.27 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 3ctt s PRO 198 Cb -0.17 -2.61 0.06 0.00 0.04 0.00 0.00 34.50 31.81 3ctt s PRO 198 CO -0.01 0.18 0.00 0.42 0.04 0.00 0.00 177.00 177.64 3ctt s ILE 199 N -1.78 0.97 -0.30 0.56 1.01 0.20 -3.98 121.20 117.88 3ctt s ILE 199 Ca 0.54 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 60.17 3ctt s ILE 199 Cb -0.16 -1.38 0.15 0.00 0.01 0.00 0.00 42.46 41.08 3ctt s ILE 199 CO 0.21 -0.18 0.90 0.12 0.00 0.00 0.00 174.94 175.99 3ctt s PHE 200 N 1.65 -0.82 -0.08 3.97 5.36 -1.26 -2.32 117.98 124.48 3ctt s PHE 200 Ca -0.03 1.45 -0.32 0.00 -0.96 0.00 0.00 56.93 57.07 3ctt s PHE 200 Cb -0.18 0.49 -0.10 0.00 -0.34 0.00 0.00 43.02 42.89 3ctt s PHE 200 CO -0.08 -0.40 1.98 0.09 -1.46 0.00 0.00 175.22 175.34 3ctt n ASN 201 N 4.83 3.59 -3.78 6.13 3.02 -1.26 -4.45 115.26 123.35 3ctt n ASN 201 Ca -0.12 0.82 -0.13 0.00 -0.03 0.00 0.00 54.58 55.13 3ctt n ASN 201 Cb 0.53 -1.44 -0.12 0.00 -0.61 0.00 0.00 39.78 38.14 3ctt n ASN 201 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3ctt s ARG 202 N 4.63 0.22 -0.59 3.52 6.06 0.80 -4.84 118.95 128.75 3ctt s ARG 202 Ca 0.94 0.35 -0.27 0.00 -2.50 0.00 0.00 55.73 54.25 3ctt s ARG 202 Cb -0.57 0.04 -0.01 0.00 0.06 0.00 0.00 34.95 34.46 3ctt s ARG 202 CO 0.46 -0.07 1.76 0.34 -2.50 0.00 0.00 175.30 175.30 3ctt s ASP 203 N 0.47 5.48 0.16 -2.12 -1.08 -1.26 -2.65 116.67 115.67 3ctt s ASP 203 Ca -0.03 0.36 -0.17 0.00 -0.52 0.00 0.00 52.55 52.19 3ctt s ASP 203 Cb -0.04 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 38.92 3ctt s ASP 203 CO -0.02 -2.21 0.46 0.42 0.52 0.00 0.00 175.17 174.34 3ctt s THR 204 N 8.31 0.04 -0.14 1.71 -4.23 -1.26 -5.04 115.64 115.04 3ctt s THR 204 Ca 0.64 -0.67 -0.27 0.00 -1.18 0.00 0.00 61.69 60.22 3ctt s THR 204 Cb -0.13 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 3ctt s THR 204 CO 0.22 -0.20 0.89 -0.89 -0.54 0.00 0.00 174.62 174.09 3ctt s THR 205 N -3.84 4.86 -0.68 3.99 2.01 -1.26 -4.83 115.64 115.89 3ctt s THR 205 Ca 0.06 1.77 -0.26 0.00 0.31 0.00 0.00 61.69 63.58 3ctt s THR 205 Cb 0.00 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 3ctt s THR 205 CO -0.07 0.03 2.11 -2.16 -0.69 0.00 0.00 174.62 173.84 3ctt s PRO 206 N 2.00 2.31 0.00 4.92 0.04 -1.26 -4.88 135.00 138.12 3ctt s PRO 206 Ca 0.42 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3ctt s PRO 206 Cb -0.17 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.71 3ctt s PRO 206 CO 0.15 -3.30 0.00 0.27 0.04 0.00 0.00 177.00 174.16 3ctt n ASN 207 N 14.80 0.88 0.00 6.66 0.23 -1.26 -4.69 115.26 131.88 3ctt n ASN 207 Ca 0.33 -0.86 0.05 0.00 -0.53 0.00 0.00 54.58 53.57 3ctt n ASN 207 Cb 0.50 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.47 3ctt n ASN 207 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ctt n GLY 208 N 2.19 -0.46 0.08 4.83 0.00 -1.26 -3.82 105.19 106.75 3ctt n GLY 208 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3ctt n GLY 208 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ctt n ASN 209 N -1.15 0.59 -2.57 1.61 3.02 -1.26 -4.95 115.26 110.55 3ctt n ASN 209 Ca 0.06 0.56 -0.18 0.00 -0.03 0.00 0.00 54.58 55.00 3ctt n ASN 209 Cb 0.06 -0.72 0.04 0.00 -0.61 0.00 0.00 39.78 38.55 3ctt n ASN 209 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ctt n GLY 210 N 1.23 -0.21 3.93 7.41 0.00 -1.25 -5.02 105.19 111.29 3ctt n GLY 210 Ca 0.06 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3ctt n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ctt s THR 211 N -3.12 2.25 0.42 2.61 -4.23 -1.26 -4.76 115.64 107.54 3ctt s THR 211 Ca 0.33 -0.27 -0.26 0.00 -1.18 0.00 0.00 61.69 60.30 3ctt s THR 211 Cb -0.14 -2.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 3ctt s THR 211 CO 0.40 0.00 1.38 0.54 -0.54 0.00 0.00 174.62 176.40 3ctt s ASN 212 N -4.55 6.16 0.00 3.99 4.22 -1.26 -4.64 114.94 118.87 3ctt s ASN 212 Ca 0.61 2.82 0.00 0.00 -2.14 0.00 0.00 52.86 54.15 3ctt s ASN 212 Cb -0.10 -2.65 0.00 0.00 1.28 0.00 0.00 41.25 39.78 3ctt s ASN 212 CO 0.45 -0.97 0.00 0.18 -2.04 0.00 0.00 177.10 174.72 3ctt n LEU 213 N 0.07 0.00 0.14 3.54 4.77 -0.62 -4.76 117.00 120.14 3ctt n LEU 213 Ca 0.04 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 3ctt n LEU 213 Cb 0.42 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.73 3ctt n LEU 213 CO 0.58 0.00 0.57 1.88 -1.33 0.00 0.00 177.39 179.10 3ctt h TYR 214 N 0.00 0.07 -1.61 -1.77 0.05 -1.76 0.23 116.97 112.18 3ctt h TYR 214 Ca 0.00 -0.02 -0.58 0.00 0.05 0.00 0.00 58.73 58.17 3ctt h TYR 214 Cb 0.00 -0.01 -0.10 0.00 1.01 0.00 0.00 36.73 37.63 3ctt h TYR 214 CO 0.00 0.57 -0.52 0.20 -1.05 0.00 0.00 178.16 177.36 3ctt s GLY 215 N -4.37 2.39 -0.18 3.88 0.00 -1.26 -3.97 107.32 103.81 3ctt s GLY 215 Ca -0.02 -2.16 -0.00 0.00 0.00 0.00 0.00 44.72 42.53 3ctt s GLY 215 CO 0.76 -1.97 -0.06 0.00 0.00 0.00 0.00 173.10 171.83 3ctt s ALA 216 N -2.63 1.59 -0.21 3.20 0.00 -0.64 -1.26 121.76 121.80 3ctt s ALA 216 Ca 0.39 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 3ctt s ALA 216 Cb 0.06 -1.17 0.07 0.00 0.00 0.00 0.00 23.12 22.08 3ctt s ALA 216 CO 0.21 -0.83 0.10 -0.65 0.00 0.00 0.00 175.76 174.59 3ctt s GLN 217 N 1.58 0.20 0.00 0.00 -1.52 0.11 -3.40 119.66 116.63 3ctt s GLN 217 Ca -0.00 -0.30 0.24 0.00 -1.95 0.00 0.00 55.36 53.35 3ctt s GLN 217 Cb -0.16 -1.68 0.27 0.00 -0.22 0.00 0.00 33.01 31.23 3ctt s GLN 217 CO -0.08 -0.78 1.25 0.25 -0.25 0.00 0.00 175.29 175.68 3ctt n THR 218 N 5.23 0.00 -1.92 -0.19 -2.24 -1.26 -0.91 114.28 112.99 3ctt n THR 218 Ca -0.07 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 3ctt n THR 218 Cb 0.46 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 3ctt n THR 218 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3ctt s PHE 219 N -2.86 2.93 0.06 4.78 5.36 -1.26 -4.51 117.98 122.49 3ctt s PHE 219 Ca 0.13 0.89 0.02 0.00 -0.96 0.00 0.00 56.93 57.01 3ctt s PHE 219 Cb 0.17 -3.92 -0.03 0.00 -0.34 0.00 0.00 43.02 38.90 3ctt s PHE 219 CO 0.71 -3.09 -0.07 -0.59 -1.46 0.00 0.00 175.22 170.71 3ctt s PHE 220 N 0.13 0.75 0.03 10.12 -0.12 -0.96 -0.15 117.98 127.78 3ctt s PHE 220 Ca 0.62 -0.67 0.09 0.00 -0.05 0.00 0.00 56.93 56.91 3ctt s PHE 220 Cb -0.44 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.47 3ctt s PHE 220 CO 0.43 -0.12 -0.26 -1.17 -0.05 0.00 0.00 175.22 174.06 3ctt s LEU 221 N -2.18 2.17 -0.13 -1.99 0.20 -0.00 -1.32 118.68 115.43 3ctt s LEU 221 Ca -0.01 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.26 3ctt s LEU 221 Cb -0.04 -1.32 0.02 0.00 -0.43 0.00 0.00 46.19 44.43 3ctt s LEU 221 CO -0.02 0.27 -0.12 0.00 -0.29 0.00 0.00 176.35 176.20 3ctt s LEU 223 N 1.49 3.81 0.12 0.00 2.96 -0.40 -1.69 118.68 124.97 3ctt s LEU 223 Ca 0.03 0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 54.12 3ctt s LEU 223 Cb -0.13 -3.39 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 3ctt s LEU 223 CO -0.09 -1.15 1.65 -0.33 -1.32 0.00 0.00 176.35 175.11 3ctt h GLU 224 N 9.12 0.56 0.00 1.98 5.08 -1.04 -3.40 114.58 126.88 3ctt h GLU 224 Ca -0.23 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.08 3ctt h GLU 224 Cb 1.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3ctt h GLU 224 CO 1.08 0.57 0.43 -0.40 -1.00 0.00 0.00 179.01 179.68 3ctt n ASP 225 N -4.65 -1.92 0.17 1.42 5.68 -1.23 -4.67 116.55 111.35 3ctt n ASP 225 Ca -0.01 -2.18 0.13 0.00 -0.50 0.00 0.00 54.79 52.23 3ctt n ASP 225 Cb 0.17 3.16 0.58 0.00 -1.14 0.00 0.00 41.12 43.89 3ctt n ASP 225 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ctt h ALA 226 N 2.00 1.00 0.00 2.12 0.00 -1.90 -2.34 119.26 120.14 3ctt h ALA 226 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ctt h ALA 226 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ctt h ALA 226 CO 0.38 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.29 3ctt h SER 227 N 0.00 0.00 0.00 0.00 4.64 -1.93 -3.22 113.55 113.04 3ctt h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ctt h SER 227 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3ctt h SER 227 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3ctt n GLY 228 N -0.63 3.21 3.65 -0.77 0.00 -0.88 -4.94 105.19 104.84 3ctt n GLY 228 Ca -0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 3ctt n GLY 228 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ctt n LEU 229 N 0.00 2.79 -3.63 0.99 4.77 -1.13 -3.37 117.00 117.42 3ctt n LEU 229 Ca 0.00 1.13 -0.12 0.00 -0.03 0.00 0.00 56.01 56.99 3ctt n LEU 229 Cb 0.00 -1.38 -0.05 0.00 -2.33 0.00 0.00 43.42 39.65 3ctt n LEU 229 CO 0.00 -0.60 0.18 -0.44 -1.33 0.00 0.00 177.39 175.20 3ctt s SER 230 N 0.38 -0.29 0.23 -1.43 0.01 -1.16 -0.41 113.70 111.03 3ctt s SER 230 Ca 0.72 -0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.72 3ctt s SER 230 Cb -0.70 0.46 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 3ctt s SER 230 CO 0.48 -0.78 0.42 0.72 0.41 0.00 0.00 173.24 174.48 3ctt s PHE 231 N -3.20 0.41 0.05 2.43 -0.12 -0.68 -2.29 117.98 114.58 3ctt s PHE 231 Ca -0.01 -0.76 -0.01 0.00 -0.05 0.00 0.00 56.93 56.11 3ctt s PHE 231 Cb 0.01 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 3ctt s PHE 231 CO -0.08 -0.91 -0.03 0.20 -0.05 0.00 0.00 175.22 174.35 3ctt s GLY 232 N -3.01 0.50 -0.03 1.99 0.00 0.27 -0.45 107.32 106.59 3ctt s GLY 232 Ca 0.22 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.75 3ctt s GLY 232 CO 0.07 -1.33 -0.09 0.14 0.00 0.00 0.00 173.10 171.89 3ctt s VAL 233 N -3.87 0.81 -0.10 1.40 1.01 -0.43 -1.11 120.40 118.12 3ctt s VAL 233 Ca 0.07 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3ctt s VAL 233 Cb 0.08 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.75 3ctt s VAL 233 CO -0.09 0.25 -0.13 0.12 0.00 0.00 0.00 175.10 175.25 3ctt s PHE 234 N 0.18 1.73 -0.37 5.22 5.36 -0.27 -2.28 117.98 127.55 3ctt s PHE 234 Ca -0.03 -0.77 -0.14 0.00 -0.96 0.00 0.00 56.93 55.03 3ctt s PHE 234 Cb -0.09 -1.28 -0.00 0.00 -0.34 0.00 0.00 43.02 41.31 3ctt s PHE 234 CO 0.01 -0.42 0.29 -1.17 -1.46 0.00 0.00 175.22 172.47 3ctt s LEU 235 N 1.00 4.72 -1.11 6.12 2.96 -1.26 -0.61 118.68 130.50 3ctt s LEU 235 Ca -0.07 -0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 53.08 3ctt s LEU 235 Cb -0.15 -2.19 0.09 0.00 0.50 0.00 0.00 46.19 44.44 3ctt s LEU 235 CO -0.01 -0.34 1.47 -0.32 -1.32 0.00 0.00 176.35 175.82 3ctt s MET 236 N 1.78 3.77 -0.21 1.98 -2.45 0.64 -4.73 119.30 120.08 3ctt s MET 236 Ca 0.07 -1.69 -0.12 0.00 -1.25 0.00 0.00 55.69 52.70 3ctt s MET 236 Cb -0.18 -5.28 0.07 0.00 1.25 0.00 0.00 34.83 30.69 3ctt s MET 236 CO 0.11 -2.08 0.50 1.21 1.05 0.00 0.00 175.02 175.81 3ctt s ASN 237 N 4.21 -0.66 0.00 1.11 3.84 -1.26 -4.28 114.94 117.90 3ctt s ASN 237 Ca 0.45 1.10 0.17 0.00 0.21 0.00 0.00 52.86 54.79 3ctt s ASN 237 Cb -0.00 0.98 0.45 0.00 -0.55 0.00 0.00 41.25 42.13 3ctt s ASN 237 CO -0.04 -0.21 1.37 -1.54 -2.79 0.00 0.00 177.10 173.90 3ctt n SER 238 N 4.23 3.37 -4.90 -4.21 3.41 -1.26 -5.01 113.62 109.25 3ctt n SER 238 Ca -0.22 -1.97 -0.29 0.00 -0.26 0.00 0.00 58.87 56.13 3ctt n SER 238 Cb 0.56 -0.33 0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3ctt n SER 238 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3ctt s ASN 239 N -1.05 5.73 0.45 4.04 0.01 -1.26 -3.99 114.94 118.87 3ctt s ASN 239 Ca 0.35 0.99 -0.25 0.00 -0.71 0.00 0.00 52.86 53.25 3ctt s ASN 239 Cb 0.19 -1.97 -0.09 0.00 0.41 0.00 0.00 41.25 39.79 3ctt s ASN 239 CO 0.25 -1.06 1.26 0.00 -1.51 0.00 0.00 177.10 176.03 3ctt n ALA 240 N -2.71 1.24 -3.84 0.60 0.00 -1.26 -4.83 120.51 109.71 3ctt n ALA 240 Ca 0.05 0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.66 3ctt n ALA 240 Cb 0.57 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 3ctt n ALA 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ctt s MET 241 N -2.31 1.78 0.05 0.00 0.23 -0.98 -2.32 119.30 115.75 3ctt s MET 241 Ca 0.63 -1.02 -0.04 0.00 -1.03 0.00 0.00 55.69 54.23 3ctt s MET 241 Cb -0.49 0.59 -0.02 0.00 -1.53 0.00 0.00 34.83 33.37 3ctt s MET 241 CO 0.56 -0.82 0.05 -1.83 -2.03 0.00 0.00 175.02 170.95 3ctt s GLU 242 N -3.58 0.59 -0.14 3.16 -1.05 -0.33 -0.63 118.70 116.71 3ctt s GLU 242 Ca 0.12 -0.93 0.02 0.00 -0.15 0.00 0.00 54.97 54.03 3ctt s GLU 242 Cb -0.05 0.22 0.01 0.00 -0.44 0.00 0.00 34.13 33.87 3ctt s GLU 242 CO 0.07 -0.14 -0.22 0.08 0.95 0.00 0.00 175.26 176.01 3ctt s VAL 243 N -3.09 2.05 -0.18 1.83 1.01 0.35 -1.49 120.40 120.88 3ctt s VAL 243 Ca -0.01 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 3ctt s VAL 243 Cb 0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3ctt s VAL 243 CO -0.07 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.88 3ctt s VAL 244 N 0.87 4.02 -0.06 2.92 1.01 0.31 -0.60 120.40 128.87 3ctt s VAL 244 Ca -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3ctt s VAL 244 Cb -0.15 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 3ctt s VAL 244 CO -0.03 0.46 -0.15 -0.76 0.00 0.00 0.00 175.10 174.62 3ctt s LEU 245 N 0.68 2.69 0.07 3.92 1.43 0.17 -0.95 118.68 126.70 3ctt s LEU 245 Ca -0.01 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 3ctt s LEU 245 Cb -0.14 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 3ctt s LEU 245 CO 0.02 0.32 0.12 0.00 0.23 0.00 0.00 176.35 177.04 3ctt s GLN 246 N -0.55 0.75 0.00 1.70 -2.07 -0.76 -1.24 119.66 117.49 3ctt s GLN 246 Ca 0.08 -1.01 0.23 0.00 -1.82 0.00 0.00 55.36 52.84 3ctt s GLN 246 Cb -0.11 0.29 1.36 0.00 -1.09 0.00 0.00 33.01 33.46 3ctt s GLN 246 CO 0.01 -0.21 1.75 -2.30 -1.32 0.00 0.00 175.29 173.22 3ctt n PRO 247 N 0.07 0.76 -0.28 9.60 -0.02 -0.01 -1.22 135.00 143.90 3ctt n PRO 247 Ca -0.15 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.46 3ctt n PRO 247 Cb 0.62 -1.47 0.26 0.00 -0.02 0.00 0.00 33.50 32.89 3ctt n PRO 247 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ctt n ALA 248 N -0.97 0.45 -1.81 3.55 0.00 -1.13 -4.76 120.51 115.84 3ctt n ALA 248 Ca 0.17 0.87 -0.33 0.00 0.00 0.00 0.00 53.44 54.15 3ctt n ALA 248 Cb 0.08 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 3ctt n ALA 248 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ctt s PRO 249 N -5.71 4.26 0.14 0.00 0.04 -1.26 -4.93 135.00 127.53 3ctt s PRO 249 Ca -0.10 1.15 -0.20 0.00 0.04 0.00 0.00 61.00 61.89 3ctt s PRO 249 Cb 0.24 -2.25 0.05 0.00 0.04 0.00 0.00 34.50 32.59 3ctt s PRO 249 CO 0.64 -0.01 0.51 0.00 0.04 0.00 0.00 177.00 178.17 3ctt s ALA 250 N -2.11 -1.28 -0.02 8.56 0.00 -0.36 -2.02 121.76 124.53 3ctt s ALA 250 Ca 0.61 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.85 3ctt s ALA 250 Cb -0.10 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 3ctt s ALA 250 CO 0.14 -0.69 -0.08 -1.50 0.00 0.00 0.00 175.76 173.63 3ctt s ILE 251 N -3.67 0.70 -0.11 0.00 2.07 0.31 -1.84 121.20 118.67 3ctt s ILE 251 Ca 0.01 -0.34 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 3ctt s ILE 251 Cb 0.00 -0.61 0.01 0.00 0.13 0.00 0.00 42.46 41.99 3ctt s ILE 251 CO -0.12 0.21 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.03 3ctt s THR 252 N 0.03 1.86 -0.18 4.00 2.01 -0.12 0.00 115.64 123.24 3ctt s THR 252 Ca -0.00 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 3ctt s THR 252 Cb -0.06 -1.64 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 3ctt s THR 252 CO 0.00 0.51 0.22 -0.31 -0.69 0.00 0.00 174.62 174.36 3ctt s TYR 253 N 0.66 3.43 -0.27 4.92 2.02 -0.36 -0.53 117.35 127.21 3ctt s TYR 253 Ca -0.12 0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 57.03 3ctt s TYR 253 Cb -0.16 -2.27 0.09 0.00 -0.40 0.00 0.00 41.96 39.21 3ctt s TYR 253 CO 0.03 0.24 0.07 0.50 -1.57 0.00 0.00 175.55 174.81 3ctt s ARG 254 N 0.50 0.75 0.23 -0.62 3.52 -0.56 -2.27 118.95 120.51 3ctt s ARG 254 Ca 0.13 -0.86 0.11 0.00 -0.13 0.00 0.00 55.73 54.97 3ctt s ARG 254 Cb -0.12 -2.04 -0.05 0.00 -1.56 0.00 0.00 34.95 31.18 3ctt s ARG 254 CO 0.02 -0.86 -0.21 -0.08 -0.81 0.00 0.00 175.30 173.36 3ctt s THR 255 N 1.68 2.30 -0.28 4.11 -1.32 0.41 -1.19 115.64 121.36 3ctt s THR 255 Ca 0.05 -2.22 0.16 0.00 -1.21 0.00 0.00 61.69 58.48 3ctt s THR 255 Cb -0.17 -2.17 0.48 0.00 -1.51 0.00 0.00 72.50 69.12 3ctt s THR 255 CO -0.19 -0.32 1.38 2.30 -2.21 0.00 0.00 174.62 175.58 3ctt n ILE 256 N -0.21 2.07 -3.59 5.08 -5.35 -0.98 -0.06 119.36 116.32 3ctt n ILE 256 Ca -0.09 -1.77 0.00 0.00 -0.27 0.00 0.00 62.75 60.62 3ctt n ILE 256 Cb 0.58 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 3ctt n ILE 256 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ctt n GLY 257 N -0.43 1.00 7.00 3.28 0.00 -1.26 -4.37 105.19 110.40 3ctt n GLY 257 Ca 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3ctt n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ctt n GLY 258 N 0.00 2.29 3.21 -0.02 0.00 -1.26 -4.82 105.19 104.59 3ctt n GLY 258 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3ctt n GLY 258 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ctt s ILE 259 N 0.00 0.38 -0.60 -0.61 -4.36 -1.24 -4.74 121.20 110.03 3ctt s ILE 259 Ca 0.00 -1.95 -0.20 0.00 -0.26 0.00 0.00 60.65 58.24 3ctt s ILE 259 Cb 0.00 -2.17 0.09 0.00 1.25 0.00 0.00 42.46 41.63 3ctt s ILE 259 CO 0.00 -0.39 0.77 -0.76 0.24 0.00 0.00 174.94 174.80 3ctt s LEU 260 N -3.13 5.03 -0.33 0.37 1.43 -1.23 -4.71 118.68 116.11 3ctt s LEU 260 Ca 0.26 -1.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.18 3ctt s LEU 260 Cb 0.07 -2.37 0.10 0.00 0.03 0.00 0.00 46.19 44.02 3ctt s LEU 260 CO 0.05 -1.18 0.04 -0.62 0.23 0.00 0.00 176.35 174.87 3ctt s ASP 261 N 3.51 4.65 0.00 2.29 -1.08 -1.26 -1.07 116.67 123.72 3ctt s ASP 261 Ca 0.15 -2.04 0.04 0.00 -0.52 0.00 0.00 52.55 50.18 3ctt s ASP 261 Cb -0.21 -1.53 -0.03 0.00 -1.46 0.00 0.00 42.92 39.68 3ctt s ASP 261 CO 0.08 -0.37 -0.09 -0.36 0.52 0.00 0.00 175.17 174.95 3ctt s PHE 262 N 1.00 2.83 -0.03 -5.34 0.08 0.51 -0.26 117.98 116.76 3ctt s PHE 262 Ca 0.09 -0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.12 3ctt s PHE 262 Cb -0.19 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 3ctt s PHE 262 CO -0.10 0.34 -0.19 0.71 -0.10 0.00 0.00 175.22 175.88 3ctt s TYR 263 N -0.96 1.84 -0.12 0.36 2.02 0.22 -1.21 117.35 119.50 3ctt s TYR 263 Ca 0.16 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3ctt s TYR 263 Cb -0.11 -1.21 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 3ctt s TYR 263 CO 0.06 -0.12 -0.15 0.08 -1.57 0.00 0.00 175.55 173.85 3ctt s VAL 264 N -0.19 1.52 -0.09 0.71 1.01 0.53 -1.11 120.40 122.78 3ctt s VAL 264 Ca 0.01 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3ctt s VAL 264 Cb -0.10 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3ctt s VAL 264 CO 0.01 0.45 -0.14 -0.36 0.00 0.00 0.00 175.10 175.06 3ctt s PHE 265 N 1.07 2.74 0.02 5.22 0.08 -0.26 -0.64 117.98 126.21 3ctt s PHE 265 Ca -0.05 -0.45 0.06 0.00 0.12 0.00 0.00 56.93 56.61 3ctt s PHE 265 Cb -0.15 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 3ctt s PHE 265 CO -0.03 -0.05 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.37 3ctt s LEU 266 N -0.12 2.72 0.13 -0.37 1.02 0.27 -0.56 118.68 121.76 3ctt s LEU 266 Ca -0.02 -0.34 -0.07 0.00 0.02 0.00 0.00 54.13 53.73 3ctt s LEU 266 Cb -0.14 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.48 3ctt s LEU 266 CO 0.04 0.28 0.19 -0.83 0.02 0.00 0.00 176.35 176.04 3ctt s GLY 267 N -1.31 0.50 0.07 -3.19 0.00 -0.97 -4.73 107.32 97.69 3ctt s GLY 267 Ca 0.15 -0.98 0.25 0.00 0.00 0.00 0.00 44.72 44.14 3ctt s GLY 267 CO 0.05 -0.98 1.41 0.70 0.00 0.00 0.00 173.10 174.28 3ctt n ASN 268 N -0.13 0.59 -4.03 1.64 3.02 -1.26 -2.99 115.26 112.09 3ctt n ASN 268 Ca -0.09 0.04 -0.08 0.00 -0.03 0.00 0.00 54.58 54.43 3ctt n ASN 268 Cb 0.63 0.11 -0.09 0.00 -0.61 0.00 0.00 39.78 39.82 3ctt n ASN 268 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ctt s THR 269 N -3.10 0.19 0.25 3.41 -4.23 -1.22 -2.84 115.64 108.11 3ctt s THR 269 Ca 0.08 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 58.90 3ctt s THR 269 Cb 0.15 -1.51 0.22 0.00 1.34 0.00 0.00 72.50 72.70 3ctt s THR 269 CO 0.70 -0.88 1.82 -0.65 -0.54 0.00 0.00 174.62 175.07 3ctt h PRO 270 N 3.03 0.82 -0.78 3.99 0.11 -1.86 -2.34 132.00 134.98 3ctt h PRO 270 Ca -0.34 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.80 3ctt h PRO 270 Cb 1.16 -0.19 -0.07 0.00 0.11 0.00 0.00 31.00 32.02 3ctt h PRO 270 CO 0.63 0.54 0.44 0.93 -0.21 0.00 0.00 178.00 180.33 3ctt h GLU 271 N 0.85 0.74 -0.28 1.05 4.39 -1.94 -2.15 114.58 117.23 3ctt h GLU 271 Ca 0.40 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 60.01 3ctt h GLU 271 Cb 0.34 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3ctt h GLU 271 CO -0.23 0.49 -0.04 1.96 -1.16 0.00 0.00 179.01 180.02 3ctt h GLN 272 N 0.76 0.44 -0.30 2.33 4.20 -1.82 0.12 115.11 120.83 3ctt h GLN 272 Ca 0.36 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 3ctt h GLN 272 Cb 0.30 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3ctt h GLN 272 CO -0.22 0.50 0.15 0.28 -0.67 0.00 0.00 178.83 178.87 3ctt h VAL 273 N 0.42 1.15 -0.50 -0.54 2.07 -1.13 -0.03 116.25 117.68 3ctt h VAL 273 Ca 0.09 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3ctt h VAL 273 Cb 0.34 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ctt h VAL 273 CO 0.01 0.15 0.32 0.58 0.02 0.00 0.00 177.57 178.65 3ctt h VAL 274 N 0.36 1.14 -0.62 2.57 2.07 -0.98 -0.71 116.25 120.08 3ctt h VAL 274 Ca 0.10 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.40 3ctt h VAL 274 Cb 0.10 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 3ctt h VAL 274 CO -0.01 0.14 0.32 1.56 0.02 0.00 0.00 177.57 179.59 3ctt h GLN 275 N 0.68 0.57 -0.48 1.57 4.20 -0.64 0.55 115.11 121.56 3ctt h GLN 275 Ca 0.18 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3ctt h GLN 275 Cb -0.05 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3ctt h GLN 275 CO -0.04 0.37 0.23 0.93 -0.67 0.00 0.00 178.83 179.66 3ctt h GLU 276 N 0.58 0.68 0.04 1.46 4.39 -0.69 -0.31 114.58 120.74 3ctt h GLU 276 Ca 0.29 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 59.89 3ctt h GLU 276 Cb 0.23 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3ctt h GLU 276 CO -0.21 0.58 -0.06 -0.92 -1.16 0.00 0.00 179.01 177.24 3ctt h TYR 277 N 0.63 -0.16 0.00 4.33 3.20 -0.79 -2.81 116.97 121.37 3ctt h TYR 277 Ca 0.16 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3ctt h TYR 277 Cb 0.12 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3ctt h TYR 277 CO -0.01 -0.10 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.00 3ctt h LEU 278 N -0.13 0.00 -0.77 2.82 3.38 -0.85 -0.89 115.31 118.87 3ctt h LEU 278 Ca 0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3ctt h LEU 278 Cb 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3ctt h LEU 278 CO -0.03 0.35 0.46 -0.08 0.09 0.00 0.00 178.44 179.23 3ctt h GLU 279 N 0.00 0.83 0.40 1.13 4.57 -0.95 -0.13 114.58 120.43 3ctt h GLU 279 Ca -0.00 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3ctt h GLU 279 Cb 0.78 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3ctt h GLU 279 CO 0.05 0.55 -0.19 1.25 -1.18 0.00 0.00 179.01 179.48 3ctt h LEU 280 N 0.85 -0.46 0.00 1.64 5.85 -1.06 -3.39 115.31 118.75 3ctt h LEU 280 Ca 0.33 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3ctt h LEU 280 Cb 0.15 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3ctt h LEU 280 CO -0.17 -0.03 -0.14 0.16 -0.34 0.00 0.00 178.44 177.93 3ctt h ILE 281 N -1.14 0.00 0.00 4.05 3.07 -1.25 -3.39 117.51 118.85 3ctt h ILE 281 Ca -0.06 -0.79 0.00 0.00 1.55 0.00 0.00 64.86 65.56 3ctt h ILE 281 Cb 0.41 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 3ctt h ILE 281 CO 0.09 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.80 3ctt n GLY 282 N 1.19 3.64 3.81 0.16 0.00 -0.07 -4.59 105.19 109.33 3ctt n GLY 282 Ca 0.04 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 3ctt n GLY 282 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ctt s ARG 283 N -5.36 4.09 0.57 1.61 0.52 -1.13 -4.56 118.95 114.68 3ctt s ARG 283 Ca 0.00 1.24 -0.21 0.00 -0.52 0.00 0.00 55.73 56.24 3ctt s ARG 283 Cb 0.00 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.23 3ctt s ARG 283 CO 0.00 -0.17 1.33 -1.25 0.02 0.00 0.00 175.30 175.24 3ctt s PRO 284 N -3.11 3.04 0.50 3.54 0.04 -1.26 -4.06 135.00 133.69 3ctt s PRO 284 Ca 0.63 2.17 -0.23 0.00 0.04 0.00 0.00 61.00 63.61 3ctt s PRO 284 Cb -0.13 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 3ctt s PRO 284 CO 0.17 -1.25 1.32 0.00 0.04 0.00 0.00 177.00 177.28 3ctt n ALA 285 N -1.21 1.47 -2.40 8.56 0.00 -0.64 -4.03 120.51 122.26 3ctt n ALA 285 Ca 0.11 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 3ctt n ALA 285 Cb 0.46 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 3ctt n ALA 285 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ctt s LEU 286 N -2.74 4.29 0.81 0.00 2.96 -1.26 -4.84 118.68 117.90 3ctt s LEU 286 Ca 0.67 1.89 -0.12 0.00 -0.22 0.00 0.00 54.13 56.35 3ctt s LEU 286 Cb -0.45 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 42.76 3ctt s LEU 286 CO 0.53 -0.62 1.13 -2.16 -1.32 0.00 0.00 176.35 173.91 3ctt s PRO 287 N 2.26 1.98 0.48 0.98 0.04 -1.26 -4.99 135.00 134.49 3ctt s PRO 287 Ca 0.58 0.34 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 3ctt s PRO 287 Cb -0.26 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 3ctt s PRO 287 CO 0.23 -1.63 1.36 -1.12 0.04 0.00 0.00 177.00 175.88 3ctt s SER 288 N -4.25 5.75 0.38 6.66 0.01 -1.25 -4.85 113.70 116.14 3ctt s SER 288 Ca 0.61 2.77 0.10 0.00 1.31 0.00 0.00 55.95 60.74 3ctt s SER 288 Cb -0.13 -2.64 0.76 0.00 0.21 0.00 0.00 66.02 64.22 3ctt s SER 288 CO 0.52 -1.25 1.89 0.22 0.41 0.00 0.00 173.24 175.03 3ctt h TYR 289 N 2.04 0.22 0.00 2.43 3.20 -1.27 -2.57 116.97 121.03 3ctt h TYR 289 Ca -0.51 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.30 3ctt h TYR 289 Cb 1.27 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 3ctt h TYR 289 CO 0.49 0.38 -0.19 0.11 -1.64 0.00 0.00 178.16 177.32 3ctt h TRP 290 N 0.20 0.00 0.00 -3.82 5.08 -1.91 -2.49 115.95 113.01 3ctt h TRP 290 Ca 0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.01 3ctt h TRP 290 Cb 0.43 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.59 3ctt h TRP 290 CO 0.01 0.19 0.00 0.00 -1.28 0.00 0.00 178.44 177.36 3ctt h ALA 291 N 1.81 1.00 0.00 0.11 0.00 -1.83 -1.12 119.26 119.23 3ctt h ALA 291 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ctt h ALA 291 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ctt h ALA 291 CO 0.02 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 3ctt h LEU 292 N 0.00 0.00 0.00 0.00 3.38 -1.56 -3.45 115.31 113.69 3ctt h LEU 292 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3ctt h LEU 292 Cb 0.17 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.10 3ctt h LEU 292 CO 0.00 0.00 0.07 0.61 0.09 0.00 0.00 178.44 179.21 3ctt n GLY 293 N 1.25 -2.89 3.75 0.83 0.00 -0.42 -4.86 105.19 102.85 3ctt n GLY 293 Ca 0.05 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 3ctt n GLY 293 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ctt s PHE 294 N -2.69 3.73 -0.05 1.61 5.36 -1.26 -4.47 117.98 120.22 3ctt s PHE 294 Ca 0.63 1.38 0.02 0.00 -0.96 0.00 0.00 56.93 58.00 3ctt s PHE 294 Cb -0.07 -2.74 -0.03 0.00 -0.34 0.00 0.00 43.02 39.85 3ctt s PHE 294 CO 0.49 0.32 -0.08 -1.01 -1.46 0.00 0.00 175.22 173.49 3ctt s HIS 295 N -0.19 2.90 0.00 10.12 3.76 0.08 -1.35 115.29 130.61 3ctt s HIS 295 Ca 0.35 -0.01 0.07 0.00 -0.15 0.00 0.00 55.06 55.32 3ctt s HIS 295 Cb -0.20 -1.67 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 3ctt s HIS 295 CO 0.21 0.33 -0.22 -1.17 -0.85 0.00 0.00 174.74 173.03 3ctt s LEU 296 N -0.96 2.09 0.18 0.89 2.96 0.03 -2.03 118.68 121.84 3ctt s LEU 296 Ca 0.13 -0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 53.37 3ctt s LEU 296 Cb -0.11 -1.13 0.06 0.00 0.50 0.00 0.00 46.19 45.51 3ctt s LEU 296 CO 0.03 0.25 0.60 -0.55 -1.32 0.00 0.00 176.35 175.36 3ctt s SER 297 N -0.76 -0.47 0.00 3.68 0.15 -0.57 -0.59 113.70 115.14 3ctt s SER 297 Ca 0.09 -0.16 -0.28 0.00 0.70 0.00 0.00 55.95 56.30 3ctt s SER 297 Cb -0.09 0.61 0.09 0.00 -1.71 0.00 0.00 66.02 64.93 3ctt s SER 297 CO 0.00 -1.03 0.77 0.00 1.20 0.00 0.00 173.24 174.18 3ctt s ARG 298 N -3.79 0.97 -0.28 5.44 1.70 -1.26 -3.75 118.95 117.98 3ctt s ARG 298 Ca 0.03 -0.13 -0.28 0.00 -0.47 0.00 0.00 55.73 54.88 3ctt s ARG 298 Cb -0.02 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.82 3ctt s ARG 298 CO -0.09 -0.38 1.01 -0.47 -1.08 0.00 0.00 175.30 174.30 3ctt s TYR 299 N -2.46 3.24 -0.31 5.89 6.04 0.87 -4.31 117.35 126.31 3ctt s TYR 299 Ca -0.01 1.25 -0.00 0.00 0.04 0.00 0.00 57.07 58.35 3ctt s TYR 299 Cb -0.01 -3.43 -0.00 0.00 -1.04 0.00 0.00 41.96 37.48 3ctt s TYR 299 CO -0.04 -0.61 0.29 0.39 -1.54 0.00 0.00 175.55 174.05 3ctt n GLU 300 N 6.53 -0.56 -0.09 4.97 -0.58 -1.26 -3.91 120.64 125.74 3ctt n GLU 300 Ca 0.11 0.89 -0.04 0.00 -0.42 0.00 0.00 57.16 57.70 3ctt n GLU 300 Cb 0.47 -3.25 0.18 0.00 -0.57 0.00 0.00 31.44 28.27 3ctt n GLU 300 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 3ctt h TYR 301 N 0.16 0.79 0.00 -0.32 0.05 -1.97 -3.44 116.97 112.24 3ctt h TYR 301 Ca -0.01 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.67 3ctt h TYR 301 Cb 1.01 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.53 3ctt h TYR 301 CO 0.08 0.74 0.00 0.41 -1.05 0.00 0.00 178.16 178.34 3ctt n GLY 302 N -0.69 2.90 3.12 3.88 0.00 -1.26 -4.71 105.19 108.43 3ctt n GLY 302 Ca 0.02 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 3ctt n GLY 302 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ctt s THR 303 N -0.36 0.63 0.26 2.61 -4.23 -1.26 -4.87 115.64 108.42 3ctt s THR 303 Ca 0.00 -1.52 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 3ctt s THR 303 Cb 0.00 -1.16 0.25 0.00 1.34 0.00 0.00 72.50 72.92 3ctt s THR 303 CO 0.00 -0.63 1.87 0.25 -0.54 0.00 0.00 174.62 175.58 3ctt h LEU 304 N 3.72 0.97 -1.31 4.79 5.85 -1.26 -1.89 115.31 126.18 3ctt h LEU 304 Ca -0.36 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.45 3ctt h LEU 304 Cb 1.18 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 3ctt h LEU 304 CO 0.53 0.63 0.52 0.44 -0.34 0.00 0.00 178.44 180.22 3ctt h ASP 305 N 1.12 0.72 -0.24 1.25 3.32 -1.95 0.35 116.42 120.98 3ctt h ASP 305 Ca 0.41 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.38 3ctt h ASP 305 Cb 0.14 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3ctt h ASP 305 CO -0.17 0.45 -0.18 0.78 -1.72 0.00 0.00 179.24 178.41 3ctt h ASN 306 N 0.81 0.58 0.04 6.45 2.35 -1.67 -1.56 115.58 122.57 3ctt h ASN 306 Ca 0.35 -0.44 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3ctt h ASN 306 Cb 0.32 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3ctt h ASN 306 CO -0.13 0.90 -0.02 -0.03 -1.65 0.00 0.00 177.43 176.50 3ctt h MET 307 N 0.26 -0.05 -0.78 0.81 4.05 -0.82 -2.20 114.93 116.20 3ctt h MET 307 Ca 0.05 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.57 3ctt h MET 307 Cb 0.71 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.45 3ctt h MET 307 CO 0.05 0.02 0.43 0.00 0.23 0.00 0.00 176.91 177.63 3ctt h ARG 308 N -0.10 0.69 -0.80 0.39 3.08 -0.35 -0.15 114.38 117.14 3ctt h ARG 308 Ca -0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3ctt h ARG 308 Cb 0.09 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 3ctt h ARG 308 CO 0.01 0.46 0.39 1.49 -1.07 0.00 0.00 179.97 181.25 3ctt h GLU 309 N 0.71 1.15 -0.21 0.04 4.81 -1.10 -1.10 114.58 118.88 3ctt h GLU 309 Ca 0.38 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 3ctt h GLU 309 Cb 0.38 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3ctt h GLU 309 CO -0.26 0.88 -0.01 0.28 -0.73 0.00 0.00 179.01 179.17 3ctt h VAL 310 N 1.13 1.26 -0.40 0.32 2.07 -0.73 -2.53 116.25 117.38 3ctt h VAL 310 Ca 0.28 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 66.95 3ctt h VAL 310 Cb 0.11 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3ctt h VAL 310 CO -0.04 0.28 -0.01 0.58 0.02 0.00 0.00 177.57 178.41 3ctt h VAL 311 N 0.13 0.69 -0.02 2.57 2.07 -0.88 -2.54 116.25 118.26 3ctt h VAL 311 Ca 0.06 -0.03 -0.20 0.00 0.82 0.00 0.00 66.70 67.35 3ctt h VAL 311 Cb 0.43 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3ctt h VAL 311 CO 0.01 0.02 -0.84 -0.33 0.02 0.00 0.00 177.57 176.45 3ctt h GLU 312 N 0.10 0.31 -0.23 1.57 4.39 -1.21 -0.77 114.58 118.74 3ctt h GLU 312 Ca 0.20 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 3ctt h GLU 312 Cb 0.28 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3ctt h GLU 312 CO -0.34 0.99 -0.23 0.07 -1.16 0.00 0.00 179.01 178.34 3ctt h ARG 313 N 0.19 0.42 -0.09 2.33 0.11 -1.36 0.30 114.38 116.29 3ctt h ARG 313 Ca -0.05 -0.15 -0.21 0.00 0.10 0.00 0.00 59.98 59.68 3ctt h ARG 313 Cb 1.44 -0.03 0.01 0.00 1.11 0.00 0.00 29.97 32.50 3ctt h ARG 313 CO 0.14 0.63 -0.75 -0.91 0.10 0.00 0.00 179.97 179.17 3ctt h ASN 314 N 0.38 0.81 -0.97 0.08 2.35 -1.21 -2.01 115.58 115.01 3ctt h ASN 314 Ca 0.06 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 3ctt h ASN 314 Cb 0.61 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 3ctt h ASN 314 CO 0.04 1.36 0.61 0.03 -1.65 0.00 0.00 177.43 177.83 3ctt h ARG 315 N 0.33 1.31 0.00 0.81 3.08 -1.12 -2.39 114.38 116.40 3ctt h ARG 315 Ca -0.07 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 3ctt h ARG 315 Cb 1.40 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3ctt h ARG 315 CO 0.15 0.89 -0.22 0.00 -1.07 0.00 0.00 179.97 179.73 3ctt h ALA 316 N 1.34 1.50 -0.00 0.04 0.00 -0.31 -2.47 119.26 119.35 3ctt h ALA 316 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ctt h ALA 316 Cb -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ctt h ALA 316 CO -0.07 0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.44 3ctt n ALA 317 N -2.43 2.66 -3.47 0.00 0.00 -0.76 -4.91 120.51 111.60 3ctt n ALA 317 Ca -0.02 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 3ctt n ALA 317 Cb 0.29 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.35 3ctt n ALA 317 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ctt n GLN 318 N -0.83 -7.07 -2.76 0.00 1.13 -0.93 -4.98 117.38 101.94 3ctt n GLN 318 Ca 0.22 0.75 -0.42 0.00 -1.94 0.00 0.00 57.00 55.61 3ctt n GLN 318 Cb 0.16 -5.54 -0.03 0.00 0.11 0.00 0.00 30.24 24.94 3ctt n GLN 318 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3ctt s LEU 319 N -6.60 4.36 0.17 1.08 2.96 -1.03 -4.91 118.68 114.71 3ctt s LEU 319 Ca 0.48 1.59 -0.32 0.00 -0.22 0.00 0.00 54.13 55.67 3ctt s LEU 319 Cb -0.21 -3.50 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 3ctt s LEU 319 CO 0.65 -0.24 1.58 -2.84 -1.32 0.00 0.00 176.35 174.18 3ctt s PRO 320 N 1.00 4.21 -0.30 0.98 0.02 -1.26 -4.79 135.00 134.87 3ctt s PRO 320 Ca 0.50 2.38 -0.06 0.00 0.02 0.00 0.00 61.00 63.84 3ctt s PRO 320 Cb -0.20 -3.15 0.19 0.00 0.02 0.00 0.00 34.50 31.36 3ctt s PRO 320 CO 0.26 -0.62 0.91 -0.47 -0.33 0.00 0.00 177.00 176.76 3ctt s TYR 321 N 1.14 -0.90 -0.19 6.54 5.04 0.15 -4.63 117.35 124.50 3ctt s TYR 321 Ca 0.70 0.53 0.13 0.00 -2.44 0.00 0.00 57.07 55.99 3ctt s TYR 321 Cb -0.44 0.16 -0.23 0.00 0.35 0.00 0.00 41.96 41.79 3ctt s TYR 321 CO 0.31 -0.52 0.10 -0.25 -1.34 0.00 0.00 175.55 173.85 3ctt n ASP 322 N 5.21 0.65 -4.05 4.32 8.00 -0.46 -4.61 116.55 125.61 3ctt n ASP 322 Ca 0.08 0.04 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 3ctt n ASP 322 Cb 0.57 0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 41.97 3ctt n ASP 322 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ctt s VAL 323 N -2.51 1.03 -0.15 2.53 1.01 -0.98 -0.68 120.40 120.64 3ctt s VAL 323 Ca -0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 3ctt s VAL 323 Cb 0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3ctt s VAL 323 CO 0.78 0.31 -0.10 -1.58 0.00 0.00 0.00 175.10 174.51 3ctt s GLN 324 N 0.19 3.45 -0.10 2.72 2.00 -0.40 -0.79 119.66 126.72 3ctt s GLN 324 Ca -0.04 -0.64 -0.07 0.00 -2.00 0.00 0.00 55.36 52.61 3ctt s GLN 324 Cb -0.10 -2.75 -0.04 0.00 0.80 0.00 0.00 33.01 30.92 3ctt s GLN 324 CO 0.01 0.17 0.16 -1.01 -0.50 0.00 0.00 175.29 174.11 3ctt s HIS 325 N 0.50 3.60 -0.28 1.67 3.76 0.25 -1.06 115.29 123.73 3ctt s HIS 325 Ca -0.07 0.53 -0.04 0.00 -0.15 0.00 0.00 55.06 55.34 3ctt s HIS 325 Cb -0.15 -1.94 0.03 0.00 1.11 0.00 0.00 32.58 31.62 3ctt s HIS 325 CO 0.04 0.73 0.01 0.00 -0.85 0.00 0.00 174.74 174.66 3ctt s ALA 326 N -1.06 2.86 0.93 -1.40 0.00 0.30 -4.54 121.76 118.85 3ctt s ALA 326 Ca 0.17 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 3ctt s ALA 326 Cb -0.12 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.09 3ctt s ALA 326 CO 0.06 -0.98 0.13 -3.47 0.00 0.00 0.00 175.76 171.50 3ctt n ASP 327 N 4.73 0.02 0.19 0.00 -0.08 -1.26 -1.84 116.55 118.31 3ctt n ASP 327 Ca -0.15 -1.06 0.13 0.00 -1.51 0.00 0.00 54.79 52.21 3ctt n ASP 327 Cb 0.46 -0.10 0.66 0.00 2.34 0.00 0.00 41.12 44.49 3ctt n ASP 327 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3ctt h ILE 328 N -1.00 0.00 0.00 5.18 3.07 -1.91 -2.66 117.51 120.19 3ctt h ILE 328 Ca -0.04 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 66.28 3ctt h ILE 328 Cb 0.12 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 37.41 3ctt h ILE 328 CO 0.03 0.00 0.00 -2.24 -1.05 0.00 0.00 178.15 174.89 3ctt h ASP 329 N 0.00 0.00 0.61 2.16 2.03 -1.94 -2.49 116.42 116.79 3ctt h ASP 329 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 3ctt h ASP 329 Cb 0.12 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 3ctt h ASP 329 CO 0.00 0.00 -0.28 0.10 -1.03 0.00 0.00 179.24 178.03 3ctt h TYR 330 N 0.00 0.00 -4.35 4.15 -0.00 -1.82 -3.45 116.97 111.51 3ctt h TYR 330 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 58.73 58.23 3ctt h TYR 330 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 36.73 36.82 3ctt h TYR 330 CO 0.00 0.28 0.37 -1.64 -0.00 0.00 0.00 178.16 177.18 3ctt s MET 331 N -3.91 2.80 -0.62 0.10 1.00 -0.94 0.02 119.30 117.76 3ctt s MET 331 Ca -0.01 0.77 -0.25 0.00 0.00 0.00 0.00 55.69 56.20 3ctt s MET 331 Cb 0.12 -1.99 0.05 0.00 0.00 0.00 0.00 34.83 33.01 3ctt s MET 331 CO 0.66 -1.15 1.03 0.34 0.00 0.00 0.00 175.02 175.91 3ctt s ASP 332 N -3.96 6.28 -1.39 3.03 2.15 -1.26 -3.58 116.67 117.93 3ctt s ASP 332 Ca 0.58 -0.49 -0.10 0.00 0.43 0.00 0.00 52.55 52.98 3ctt s ASP 332 Cb -0.13 -2.47 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 3ctt s ASP 332 CO 0.54 -1.42 1.13 -0.62 -0.17 0.00 0.00 175.17 174.64 3ctt n GLU 333 N 7.96 -7.50 -2.43 4.34 -0.58 -1.26 -2.87 120.64 118.30 3ctt n GLU 333 Ca 0.01 0.80 -0.18 0.00 -0.42 0.00 0.00 57.16 57.37 3ctt n GLU 333 Cb 0.47 -5.83 -0.00 0.00 -0.57 0.00 0.00 31.44 25.51 3ctt n GLU 333 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ctt n ARG 334 N -4.92 -1.88 -4.43 3.49 1.74 -1.26 -4.50 116.66 104.89 3ctt n ARG 334 Ca 0.01 0.85 -0.34 0.00 -0.77 0.00 0.00 57.85 57.60 3ctt n ARG 334 Cb 0.56 -5.36 -0.12 0.00 -1.02 0.00 0.00 32.46 26.52 3ctt n ARG 334 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3ctt s ARG 335 N -4.99 3.45 0.53 5.56 0.52 -1.14 -4.03 118.95 118.86 3ctt s ARG 335 Ca 0.04 -0.51 -0.20 0.00 -0.52 0.00 0.00 55.73 54.54 3ctt s ARG 335 Cb -0.02 -2.85 -0.07 0.00 0.52 0.00 0.00 34.95 32.53 3ctt s ARG 335 CO 0.05 0.36 0.90 -0.25 0.02 0.00 0.00 175.30 176.38 3ctt n ASP 336 N 3.17 0.62 -1.40 0.23 8.00 -1.26 -3.64 116.55 122.26 3ctt n ASP 336 Ca -0.18 0.87 -0.14 0.00 0.71 0.00 0.00 54.79 56.06 3ctt n ASP 336 Cb 0.53 -1.34 -0.02 0.00 -0.02 0.00 0.00 41.12 40.26 3ctt n ASP 336 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ctt n PHE 337 N -1.30 -0.44 -4.26 1.24 3.72 -1.26 -4.93 117.46 110.23 3ctt n PHE 337 Ca 0.12 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.37 3ctt n PHE 337 Cb 0.45 -2.80 -0.10 0.00 -0.94 0.00 0.00 39.48 36.08 3ctt n PHE 337 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3ctt s THR 338 N -2.63 0.86 0.15 4.37 -4.23 -1.24 -4.87 115.64 108.05 3ctt s THR 338 Ca 0.00 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 3ctt s THR 338 Cb 0.00 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 3ctt s THR 338 CO 0.00 -0.52 -0.12 -0.72 -0.54 0.00 0.00 174.62 172.73 3ctt s TYR 339 N -3.53 1.37 -0.44 3.99 -0.85 -1.26 -4.06 117.35 112.56 3ctt s TYR 339 Ca 0.23 -0.68 -0.28 0.00 -0.52 0.00 0.00 57.07 55.82 3ctt s TYR 339 Cb 0.05 -0.69 0.00 0.00 0.38 0.00 0.00 41.96 41.71 3ctt s TYR 339 CO 0.04 0.14 1.53 0.34 -1.52 0.00 0.00 175.55 176.09 3ctt s ASP 340 N -3.02 6.11 0.03 -0.18 -1.08 0.10 -4.14 116.67 114.49 3ctt s ASP 340 Ca 0.16 0.78 0.13 0.00 -0.52 0.00 0.00 52.55 53.09 3ctt s ASP 340 Cb 0.00 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.47 3ctt s ASP 340 CO 0.02 -1.63 1.40 -1.54 0.52 0.00 0.00 175.17 173.94 3ctt n SER 341 N 9.61 0.08 -0.04 -0.34 3.41 -1.26 -0.19 113.62 124.89 3ctt n SER 341 Ca 0.17 0.52 -0.05 0.00 -0.26 0.00 0.00 58.87 59.25 3ctt n SER 341 Cb 0.48 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 3ctt n SER 341 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3ctt n VAL 342 N -1.59 1.19 0.21 -3.33 0.31 -1.26 -3.91 118.33 109.95 3ctt n VAL 342 Ca 0.03 0.24 0.06 0.00 -0.01 0.00 0.00 64.34 64.66 3ctt n VAL 342 Cb 0.14 -1.99 0.48 0.00 -0.91 0.00 0.00 33.84 31.56 3ctt n VAL 342 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ctt h ASP 343 N -0.58 0.00 -0.28 4.52 3.32 -1.91 -3.10 116.42 118.38 3ctt h ASP 343 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 3ctt h ASP 343 Cb 0.58 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.93 3ctt h ASP 343 CO 0.00 0.26 -0.68 0.49 -1.72 0.00 0.00 179.24 177.59 3ctt n PHE 344 N -3.99 1.02 -2.06 4.55 3.01 0.73 -0.69 117.46 120.04 3ctt n PHE 344 Ca -0.02 -1.71 -0.42 0.00 1.01 0.00 0.00 57.45 56.31 3ctt n PHE 344 Cb 0.33 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 3ctt n PHE 344 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3ctt s LYS 345 N -3.15 4.27 0.00 -1.08 2.20 -1.15 -1.85 119.74 118.99 3ctt s LYS 345 Ca 0.42 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 3ctt s LYS 345 Cb 0.38 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 3ctt s LYS 345 CO -0.04 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 3ctt n GLY 346 N 3.40 0.73 0.23 5.54 0.00 -1.26 -4.98 105.19 108.85 3ctt n GLY 346 Ca 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3ctt n GLY 346 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ctt h PHE 347 N 0.00 -0.04 -0.59 1.61 3.57 -1.75 -1.88 116.94 117.86 3ctt h PHE 347 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3ctt h PHE 347 Cb 0.00 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3ctt h PHE 347 CO 0.00 -0.16 0.37 -1.35 -2.23 0.00 0.00 178.31 174.93 3ctt h PRO 348 N 0.12 0.78 -0.58 6.41 0.11 -1.88 -0.81 132.00 136.15 3ctt h PRO 348 Ca 0.32 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.28 3ctt h PRO 348 Cb 0.52 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 3ctt h PRO 348 CO -0.53 0.54 -0.01 0.93 -0.21 0.00 0.00 178.00 178.72 3ctt h GLU 349 N 0.80 1.04 -0.74 1.05 3.07 -1.78 -2.38 114.58 115.65 3ctt h GLU 349 Ca 0.21 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 3ctt h GLU 349 Cb -0.06 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.73 3ctt h GLU 349 CO -0.04 1.03 0.33 0.35 -1.40 0.00 0.00 179.01 179.28 3ctt h PHE 350 N 0.93 1.07 -0.52 4.33 3.57 -0.92 -1.63 116.94 123.77 3ctt h PHE 350 Ca 0.16 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3ctt h PHE 350 Cb 0.57 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3ctt h PHE 350 CO 0.04 0.79 0.32 0.28 -2.23 0.00 0.00 178.31 177.51 3ctt h VAL 351 N 1.06 1.07 -0.80 1.41 2.07 -0.86 -0.78 116.25 119.42 3ctt h VAL 351 Ca 0.25 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3ctt h VAL 351 Cb 0.14 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3ctt h VAL 351 CO -0.03 0.12 0.51 0.78 0.02 0.00 0.00 177.57 178.97 3ctt h ASN 352 N 0.64 0.94 -0.02 0.57 2.35 -1.15 -1.41 115.58 117.49 3ctt h ASN 352 Ca 0.20 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3ctt h ASN 352 Cb -0.00 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 3ctt h ASN 352 CO -0.08 0.70 0.01 -0.33 -1.65 0.00 0.00 177.43 176.08 3ctt h GLU 353 N 1.09 0.03 -0.23 0.81 5.08 -0.77 -0.89 114.58 119.70 3ctt h GLU 353 Ca 0.29 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.71 3ctt h GLU 353 Cb -0.09 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 3ctt h GLU 353 CO -0.06 0.11 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.81 3ctt h LEU 354 N -0.06 -0.60 -0.93 1.33 3.38 -0.97 -1.64 115.31 115.81 3ctt h LEU 354 Ca 0.01 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ctt h LEU 354 Cb 0.09 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3ctt h LEU 354 CO -0.00 -0.23 0.56 0.45 0.09 0.00 0.00 178.44 179.31 3ctt h HIS 355 N -0.19 1.22 0.00 1.13 3.86 -1.17 0.67 115.15 120.67 3ctt h HIS 355 Ca 0.13 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 3ctt h HIS 355 Cb 0.39 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 3ctt h HIS 355 CO -0.35 0.81 -0.27 -0.97 0.86 0.00 0.00 177.93 178.01 3ctt h ASN 356 N 1.28 0.00 0.24 2.45 -1.24 -1.02 -2.54 115.58 114.75 3ctt h ASN 356 Ca 0.33 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.34 3ctt h ASN 356 Cb -0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.99 3ctt h ASN 356 CO -0.06 0.27 -0.00 0.59 -1.29 0.00 0.00 177.43 176.93 3ctt n ASN 357 N -3.68 0.02 0.00 1.15 5.03 -0.60 -4.91 115.26 112.27 3ctt n ASN 357 Ca -0.01 -0.65 0.00 0.00 0.87 0.00 0.00 54.58 54.79 3ctt n ASN 357 Cb 0.38 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 3ctt n ASN 357 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ctt n GLY 358 N 1.12 0.39 3.78 7.41 0.00 -0.96 -4.90 105.19 112.05 3ctt n GLY 358 Ca 0.20 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 3ctt n GLY 358 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ctt s GLN 359 N -1.85 2.40 0.15 1.61 -0.21 0.13 -4.54 119.66 117.34 3ctt s GLN 359 Ca 0.00 -1.61 0.10 0.00 0.02 0.00 0.00 55.36 53.87 3ctt s GLN 359 Cb 0.00 -2.20 -0.04 0.00 1.00 0.00 0.00 33.01 31.77 3ctt s GLN 359 CO 0.00 -0.03 -0.23 0.15 -2.12 0.00 0.00 175.29 173.05 3ctt s LYS 360 N -3.95 1.35 -0.15 2.91 -0.14 0.14 -3.72 119.74 116.18 3ctt s LYS 360 Ca 0.42 -1.37 -0.02 0.00 -1.36 0.00 0.00 55.97 53.63 3ctt s LYS 360 Cb -0.01 -1.66 -0.02 0.00 -1.68 0.00 0.00 37.83 34.46 3ctt s LYS 360 CO 0.24 0.37 -0.09 -1.17 -0.76 0.00 0.00 175.35 173.95 3ctt s LEU 361 N -2.32 2.92 -0.18 3.17 2.96 -1.26 -1.28 118.68 122.69 3ctt s LEU 361 Ca 0.15 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3ctt s LEU 361 Cb -0.09 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3ctt s LEU 361 CO 0.07 0.13 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.49 3ctt s VAL 362 N 0.55 3.53 -0.03 1.68 1.01 -0.22 -0.23 120.40 126.69 3ctt s VAL 362 Ca -0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3ctt s VAL 362 Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3ctt s VAL 362 CO 0.03 0.47 0.07 0.27 0.00 0.00 0.00 175.10 175.94 3ctt s ILE 363 N 0.79 4.71 0.28 2.22 -4.36 -0.88 -0.54 121.20 123.42 3ctt s ILE 363 Ca -0.02 -0.33 -0.29 0.00 -0.26 0.00 0.00 60.65 59.76 3ctt s ILE 363 Cb -0.15 -3.11 -0.09 0.00 1.25 0.00 0.00 42.46 40.36 3ctt s ILE 363 CO 0.02 0.42 0.98 -0.51 0.24 0.00 0.00 174.94 176.09 3ctt s ILE 364 N -1.12 3.97 0.02 8.37 2.07 -0.77 -0.48 121.20 133.25 3ctt s ILE 364 Ca 0.20 1.87 0.02 0.00 -1.41 0.00 0.00 60.65 61.33 3ctt s ILE 364 Cb -0.12 -4.15 -0.01 0.00 0.13 0.00 0.00 42.46 38.31 3ctt s ILE 364 CO 0.11 0.36 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.74 3ctt s VAL 365 N -1.31 0.55 0.10 4.00 1.01 0.31 -4.87 120.40 120.18 3ctt s VAL 365 Ca 0.45 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3ctt s VAL 365 Cb -0.25 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3ctt s VAL 365 CO 0.32 -0.06 -0.04 -1.81 0.00 0.00 0.00 175.10 173.50 3ctt s ASP 366 N -0.73 4.75 0.17 3.32 1.01 -1.26 -2.40 116.67 121.53 3ctt s ASP 366 Ca -0.02 -0.27 -0.09 0.00 0.71 0.00 0.00 52.55 52.88 3ctt s ASP 366 Cb -0.05 -1.04 0.04 0.00 1.01 0.00 0.00 42.92 42.88 3ctt s ASP 366 CO 0.00 0.18 1.60 1.55 0.21 0.00 0.00 175.17 178.71 3ctt h PRO 367 N 3.52 1.04 -6.52 8.23 0.13 -1.87 -3.45 132.00 133.08 3ctt h PRO 367 Ca -0.48 -0.38 -0.53 0.00 -0.87 0.00 0.00 66.00 63.74 3ctt h PRO 367 Cb 1.17 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3ctt h PRO 367 CO 0.56 1.08 0.41 0.00 -0.23 0.00 0.00 178.00 179.83 3ctt s ALA 368 N -4.86 3.26 -0.16 -0.56 0.00 -1.26 -4.12 121.76 114.06 3ctt s ALA 368 Ca -0.12 0.65 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 3ctt s ALA 368 Cb 0.13 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3ctt s ALA 368 CO 0.87 -0.19 -0.08 0.42 0.00 0.00 0.00 175.76 176.78 3ctt s ILE 369 N 0.47 3.37 0.01 0.00 -1.09 -0.25 -4.80 121.20 118.90 3ctt s ILE 369 Ca 0.51 -0.53 -0.36 0.00 -2.23 0.00 0.00 60.65 58.04 3ctt s ILE 369 Cb -0.25 -2.47 -0.15 0.00 -1.58 0.00 0.00 42.46 38.02 3ctt s ILE 369 CO 0.30 0.49 1.56 -0.24 -1.23 0.00 0.00 174.94 175.82 3ctt n SER 370 N 3.92 2.45 -0.83 3.58 2.88 -1.26 -0.88 113.62 123.48 3ctt n SER 370 Ca -0.18 1.08 0.04 0.00 -1.33 0.00 0.00 58.87 58.48 3ctt n SER 370 Cb 0.52 -1.27 0.15 0.00 -0.75 0.00 0.00 64.21 62.86 3ctt n SER 370 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3ctt n ASN 371 N 3.94 2.31 -4.44 -3.46 6.94 -1.09 -4.64 115.26 114.82 3ctt n ASN 371 Ca 0.20 -2.21 -0.44 0.00 -0.02 0.00 0.00 54.58 52.12 3ctt n ASN 371 Cb 0.22 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 3ctt n ASN 371 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3ctt s ASN 372 N -0.62 6.49 -0.06 0.53 3.84 -1.26 -4.96 114.94 118.89 3ctt s ASN 372 Ca 0.21 -1.76 -0.05 0.00 0.21 0.00 0.00 52.86 51.46 3ctt s ASN 372 Cb 0.14 -2.39 0.02 0.00 -0.55 0.00 0.00 41.25 38.47 3ctt s ASN 372 CO 0.10 -1.14 0.16 -0.55 -2.79 0.00 0.00 177.10 172.88 3ctt s SER 373 N 3.60 -0.17 0.26 -4.21 0.15 -1.26 -4.52 113.70 107.55 3ctt s SER 373 Ca 0.28 0.33 0.01 0.00 0.70 0.00 0.00 55.95 57.27 3ctt s SER 373 Cb -0.10 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 3ctt s SER 373 CO -0.04 -0.07 0.23 -0.94 1.20 0.00 0.00 173.24 173.62 3ctt s SER 374 N 0.30 0.75 0.26 5.45 1.04 -1.16 -4.92 113.70 115.42 3ctt s SER 374 Ca -0.02 -1.51 -0.03 0.00 0.48 0.00 0.00 55.95 54.88 3ctt s SER 374 Cb -0.03 0.48 0.42 0.00 0.10 0.00 0.00 66.02 66.99 3ctt s SER 374 CO -0.01 -0.97 1.85 0.28 0.98 0.00 0.00 173.24 175.37 3ctt h SER 375 N 2.38 0.91 1.42 7.02 0.02 -2.02 -2.13 113.55 121.15 3ctt h SER 375 Ca -0.31 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3ctt h SER 375 Cb 1.24 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3ctt h SER 375 CO 0.45 0.55 0.00 -1.28 -1.14 0.00 0.00 176.83 175.41 3ctt h SER 376 N 1.03 0.00 -0.50 3.07 0.87 -2.05 -3.38 113.55 112.58 3ctt h SER 376 Ca 0.43 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.68 3ctt h SER 376 Cb 0.27 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.03 3ctt h SER 376 CO -0.21 0.00 -0.64 1.17 -0.53 0.00 0.00 176.83 176.62 3ctt n LYS 377 N -2.53 0.80 -1.95 2.24 3.00 -1.02 -5.15 118.16 113.56 3ctt n LYS 377 Ca 0.04 -2.14 -0.39 0.00 -0.00 0.00 0.00 58.31 55.82 3ctt n LYS 377 Cb 0.40 -1.37 0.01 0.00 0.00 0.00 0.00 35.03 34.08 3ctt n LYS 377 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3ctt s PRO 378 N 0.12 3.66 -0.38 1.64 0.04 -0.83 -2.97 135.00 136.28 3ctt s PRO 378 Ca 0.32 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.56 3ctt s PRO 378 Cb 0.23 -2.56 0.11 0.00 0.04 0.00 0.00 34.50 32.32 3ctt s PRO 378 CO -0.19 -0.76 0.14 -0.47 0.04 0.00 0.00 177.00 175.76 3ctt s TYR 379 N -1.29 3.66 0.19 0.56 5.04 -1.26 -4.90 117.35 119.35 3ctt s TYR 379 Ca 0.62 -2.75 -0.20 0.00 -2.44 0.00 0.00 57.07 52.30 3ctt s TYR 379 Cb -0.39 -3.07 0.13 0.00 0.35 0.00 0.00 41.96 38.99 3ctt s TYR 379 CO 0.49 -0.95 1.59 0.78 -1.34 0.00 0.00 175.55 176.11 3ctt h GLY 380 N 7.75 -0.08 0.06 8.97 0.00 -1.97 -2.17 103.07 115.63 3ctt h GLY 380 Ca -0.08 0.43 0.20 0.00 0.00 0.00 0.00 47.33 47.88 3ctt h GLY 380 CO 0.61 -0.21 0.60 -2.55 0.00 0.00 0.00 176.54 174.99 3ctt h PRO 381 N -0.15 0.70 -0.12 4.80 0.11 -1.96 0.17 132.00 135.55 3ctt h PRO 381 Ca 0.24 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.15 3ctt h PRO 381 Cb 0.55 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.51 3ctt h PRO 381 CO -0.69 0.46 -0.54 -0.92 -0.21 0.00 0.00 178.00 176.09 3ctt h TYR 382 N 0.72 0.77 -0.11 0.65 3.20 -1.70 -1.76 116.97 118.74 3ctt h TYR 382 Ca 0.59 -0.34 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 3ctt h TYR 382 Cb 0.97 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 3ctt h TYR 382 CO -0.01 1.12 0.03 -0.44 -1.64 0.00 0.00 178.16 177.23 3ctt h ASP 383 N 0.20 0.16 -0.60 -2.11 3.32 -0.72 -0.15 116.42 116.52 3ctt h ASP 383 Ca -0.03 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.79 3ctt h ASP 383 Cb 1.18 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 3ctt h ASP 383 CO 0.11 0.32 0.32 0.03 -1.72 0.00 0.00 179.24 178.31 3ctt h ARG 384 N -0.01 0.87 -0.18 3.56 3.08 -0.78 -1.37 114.38 119.55 3ctt h ARG 384 Ca 0.04 -0.10 -0.21 0.00 0.07 0.00 0.00 59.98 59.78 3ctt h ARG 384 Cb 0.22 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3ctt h ARG 384 CO -0.00 0.66 -0.71 0.78 -1.07 0.00 0.00 179.97 179.63 3ctt h GLY 385 N 0.95 0.82 0.83 0.04 0.00 -0.98 -2.73 103.07 101.98 3ctt h GLY 385 Ca 0.22 -1.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.46 3ctt h GLY 385 CO -0.03 0.97 0.01 1.76 0.00 0.00 0.00 176.54 179.25 3ctt h SER 386 N 0.53 0.03 -0.76 0.19 0.02 -0.87 -0.57 113.55 112.12 3ctt h SER 386 Ca -0.03 -0.18 0.17 0.00 -0.84 0.00 0.00 61.79 60.91 3ctt h SER 386 Cb 1.32 -0.01 -0.12 0.00 0.14 0.00 0.00 62.40 63.73 3ctt h SER 386 CO 0.14 0.20 0.17 0.44 -1.14 0.00 0.00 176.83 176.64 3ctt h ASP 387 N -0.14 -0.03 1.37 3.07 5.19 -1.29 -0.72 116.42 123.87 3ctt h ASP 387 Ca 0.01 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 3ctt h ASP 387 Cb 0.18 0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3ctt h ASP 387 CO -0.00 -0.07 0.00 0.23 -3.12 0.00 0.00 179.24 176.28 3ctt n MET 388 N -5.19 0.21 -3.34 3.56 2.81 -1.03 -4.96 117.12 109.18 3ctt n MET 388 Ca 0.15 0.18 -0.18 0.00 -1.81 0.00 0.00 57.70 56.04 3ctt n MET 388 Cb 0.49 -1.75 0.07 0.00 -0.71 0.00 0.00 33.22 31.32 3ctt n MET 388 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3ctt n LYS 389 N -2.12 -6.29 -0.54 0.03 5.02 -0.24 -4.95 118.16 109.08 3ctt n LYS 389 Ca 0.06 0.71 0.08 0.00 -2.02 0.00 0.00 58.31 57.14 3ctt n LYS 389 Cb 0.41 -5.36 0.29 0.00 -0.02 0.00 0.00 35.03 30.36 3ctt n LYS 389 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3ctt n ILE 390 N -4.23 2.18 -2.53 -0.18 -6.64 -1.08 -4.99 119.36 101.89 3ctt n ILE 390 Ca -0.10 -1.57 -0.30 0.00 -1.77 0.00 0.00 62.75 59.01 3ctt n ILE 390 Cb 0.59 -0.11 -0.02 0.00 -1.44 0.00 0.00 39.64 38.66 3ctt n ILE 390 CO 0.00 0.00 0.00 0.26 -1.77 0.00 0.00 176.55 175.04 3ctt s TRP 391 N -2.45 3.52 0.12 4.28 0.23 -1.26 -0.29 118.94 123.09 3ctt s TRP 391 Ca 0.44 1.11 -0.31 0.00 -2.03 0.00 0.00 56.10 55.31 3ctt s TRP 391 Cb 0.33 -2.53 -0.08 0.00 0.03 0.00 0.00 33.47 31.22 3ctt s TRP 391 CO 0.13 -0.31 1.44 0.08 0.96 0.00 0.00 176.95 179.25 3ctt s VAL 392 N -2.67 3.15 0.16 4.03 1.01 0.52 -4.56 120.40 122.04 3ctt s VAL 392 Ca 0.52 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 3ctt s VAL 392 Cb -0.10 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3ctt s VAL 392 CO 0.39 0.06 0.35 0.20 0.00 0.00 0.00 175.10 176.10 3ctt s ASN 393 N 1.17 6.40 1.18 3.32 0.01 -0.54 -0.34 114.94 126.15 3ctt s ASN 393 Ca 0.66 0.41 -0.14 0.00 -0.71 0.00 0.00 52.86 53.07 3ctt s ASN 393 Cb -0.38 -2.01 0.29 0.00 0.41 0.00 0.00 41.25 39.55 3ctt s ASN 393 CO 0.30 0.02 1.03 -0.44 -1.51 0.00 0.00 177.10 176.50 3ctt s SER 394 N -2.91 0.88 0.40 -1.22 0.01 0.38 -0.25 113.70 111.00 3ctt s SER 394 Ca 0.38 1.29 0.28 0.00 1.31 0.00 0.00 55.95 59.21 3ctt s SER 394 Cb -0.12 -1.98 1.45 0.00 0.21 0.00 0.00 66.02 65.58 3ctt s SER 394 CO 0.28 -4.23 1.85 0.77 0.41 0.00 0.00 173.24 172.32 3ctt h SER 395 N -2.64 0.00 0.47 2.44 4.64 -1.89 -0.96 113.55 115.61 3ctt h SER 395 Ca -0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 3ctt h SER 395 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3ctt h SER 395 CO 0.49 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.55 3ctt n ASP 396 N -2.48 0.22 0.00 4.97 5.68 -1.26 -4.88 116.55 118.80 3ctt n ASP 396 Ca -0.01 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.84 3ctt n ASP 396 Cb 0.08 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 3ctt n ASP 396 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ctt n GLY 397 N -0.27 0.59 0.00 6.12 0.00 -0.36 -4.81 105.19 106.46 3ctt n GLY 397 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ctt n GLY 397 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ctt n VAL 398 N -2.51 0.00 -3.67 1.61 0.24 -1.26 -4.98 118.33 107.76 3ctt n VAL 398 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.93 3ctt n VAL 398 Cb 0.05 0.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.40 3ctt n VAL 398 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3ctt s THR 399 N -0.50 4.81 0.24 3.34 2.01 -1.26 -4.99 115.64 119.28 3ctt s THR 399 Ca 0.00 -0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.67 3ctt s THR 399 Cb 0.00 -3.28 -0.14 0.00 0.01 0.00 0.00 72.50 69.09 3ctt s THR 399 CO 0.00 0.28 1.31 -2.65 -0.69 0.00 0.00 174.62 172.88 3ctt n PRO 400 N 4.99 1.80 -2.55 4.92 -0.02 -1.26 -0.47 135.00 142.42 3ctt n PRO 400 Ca -0.15 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 3ctt n PRO 400 Cb 0.52 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3ctt n PRO 400 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ctt s LEU 401 N 0.15 4.51 -0.19 2.45 0.20 0.54 -4.57 118.68 121.77 3ctt s LEU 401 Ca 0.67 2.08 -0.04 0.00 0.69 0.00 0.00 54.13 57.54 3ctt s LEU 401 Cb -0.69 -3.61 -0.02 0.00 -0.43 0.00 0.00 46.19 41.45 3ctt s LEU 401 CO 0.52 -0.16 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.75 3ctt s ILE 402 N -0.45 3.60 0.00 6.68 -1.09 -1.26 -4.29 121.20 124.39 3ctt s ILE 402 Ca 0.48 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 3ctt s ILE 402 Cb -0.29 -2.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 3ctt s ILE 402 CO 0.35 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 175.12 3ctt n GLY 403 N 4.25 6.52 2.89 6.18 0.00 -0.07 -1.25 105.19 123.71 3ctt n GLY 403 Ca -0.18 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 43.92 3ctt n GLY 403 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ctt s GLU 404 N 1.27 0.07 0.00 1.61 2.12 -1.26 -1.47 118.70 121.04 3ctt s GLU 404 Ca 0.00 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.87 3ctt s GLU 404 Cb 0.00 -0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.17 3ctt s GLU 404 CO 0.00 -0.26 0.00 0.28 -0.54 0.00 0.00 175.26 174.74 3ctt n VAL 405 N 5.00 0.00 -0.23 3.70 0.31 -0.65 0.20 118.33 126.67 3ctt n VAL 405 Ca -0.11 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.25 3ctt n VAL 405 Cb 0.50 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.58 3ctt n VAL 405 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3ctt h TRP 406 N 0.00 0.23 -0.20 3.52 -0.00 -1.94 -2.15 115.95 115.41 3ctt h TRP 406 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 3ctt h TRP 406 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.16 3ctt h TRP 406 CO 0.00 -0.06 0.00 -0.35 -0.00 0.00 0.00 178.44 178.03 3ctt n PRO 407 N -5.15 1.59 0.00 0.49 -0.05 -1.26 -4.89 135.00 125.73 3ctt n PRO 407 Ca 0.12 -0.90 0.00 0.00 -0.05 0.00 0.00 63.50 62.66 3ctt n PRO 407 Cb 0.40 -1.28 0.00 0.00 -0.05 0.00 0.00 33.50 32.56 3ctt n PRO 407 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3ctt n GLY 408 N 0.98 0.35 3.74 0.55 0.00 -0.81 -5.00 105.19 105.00 3ctt n GLY 408 Ca 0.12 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 3ctt n GLY 408 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ctt n GLN 409 N 0.00 1.94 -3.67 1.61 6.02 -1.26 -1.63 117.38 120.38 3ctt n GLN 409 Ca 0.00 0.70 -0.13 0.00 -0.01 0.00 0.00 57.00 57.56 3ctt n GLN 409 Cb 0.00 -2.57 -0.06 0.00 1.02 0.00 0.00 30.24 28.63 3ctt n GLN 409 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ctt s THR 410 N -1.24 0.06 0.35 5.09 -4.23 -0.54 -2.68 115.64 112.44 3ctt s THR 410 Ca 0.66 -0.46 0.07 0.00 -1.18 0.00 0.00 61.69 60.78 3ctt s THR 410 Cb -0.44 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 3ctt s THR 410 CO 0.54 -0.25 0.44 0.68 -0.54 0.00 0.00 174.62 175.49 3ctt s VAL 411 N -2.44 3.69 -0.11 2.29 -7.23 -0.06 -0.89 120.40 115.65 3ctt s VAL 411 Ca -0.06 -1.10 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 3ctt s VAL 411 Cb -0.01 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.68 3ctt s VAL 411 CO -0.02 -0.12 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.13 3ctt s PHE 412 N -2.25 1.99 0.40 2.82 0.08 -1.26 -1.09 117.98 118.67 3ctt s PHE 412 Ca 0.46 -0.92 -0.26 0.00 0.12 0.00 0.00 56.93 56.33 3ctt s PHE 412 Cb -0.08 -1.43 -0.09 0.00 -0.57 0.00 0.00 43.02 40.85 3ctt s PHE 412 CO 0.30 -0.46 1.35 -2.14 -0.10 0.00 0.00 175.22 174.17 3ctt s PRO 413 N 0.92 3.96 -0.75 0.24 0.02 -1.26 -0.36 135.00 137.78 3ctt s PRO 413 Ca -0.08 2.27 -0.18 0.00 0.02 0.00 0.00 61.00 63.03 3ctt s PRO 413 Cb -0.15 -2.79 0.13 0.00 0.02 0.00 0.00 34.50 31.71 3ctt s PRO 413 CO -0.01 -0.54 0.86 0.34 -0.33 0.00 0.00 177.00 177.33 3ctt s ASP 414 N -0.59 6.44 0.00 2.53 2.15 0.60 -4.58 116.67 123.21 3ctt s ASP 414 Ca 0.56 -1.85 0.25 0.00 0.43 0.00 0.00 52.55 51.95 3ctt s ASP 414 Cb -0.40 -2.32 1.23 0.00 -0.30 0.00 0.00 42.92 41.12 3ctt s ASP 414 CO 0.53 -1.01 1.85 -1.22 -0.17 0.00 0.00 175.17 175.14 3ctt n TYR 415 N 6.01 0.00 0.20 -5.34 4.01 -1.26 -2.28 117.16 118.50 3ctt n TYR 415 Ca 0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.88 3ctt n TYR 415 Cb 0.46 -0.35 0.26 0.00 -0.31 0.00 0.00 39.34 39.40 3ctt n TYR 415 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3ctt h THR 416 N 0.00 0.49 -2.83 -0.72 1.35 -1.90 -3.43 112.91 105.87 3ctt h THR 416 Ca 0.00 -1.43 -0.56 0.00 -0.55 0.00 0.00 66.41 63.87 3ctt h THR 416 Cb 0.30 2.03 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 3ctt h THR 416 CO 0.00 0.25 0.96 0.21 -0.25 0.00 0.00 175.52 176.68 3ctt s ASN 417 N -6.25 6.86 0.35 5.36 3.84 -0.97 -4.69 114.94 119.44 3ctt s ASN 417 Ca 0.03 1.82 0.12 0.00 0.21 0.00 0.00 52.86 55.05 3ctt s ASN 417 Cb 0.08 -2.54 0.94 0.00 -0.55 0.00 0.00 41.25 39.19 3ctt s ASN 417 CO 0.67 -0.82 1.76 -0.65 -2.79 0.00 0.00 177.10 175.27 3ctt h PRO 418 N 8.60 0.53 0.00 0.43 0.11 -1.88 0.28 132.00 140.07 3ctt h PRO 418 Ca -0.30 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 3ctt h PRO 418 Cb 1.12 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ctt h PRO 418 CO 0.97 0.35 -0.09 -0.91 -0.21 0.00 0.00 178.00 178.10 3ctt h ASN 419 N 0.54 0.00 -0.64 -2.05 2.35 -1.93 -2.57 115.58 111.29 3ctt h ASN 419 Ca 0.61 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.27 3ctt h ASN 419 Cb 1.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.61 3ctt h ASN 419 CO -0.39 0.09 0.05 0.00 -1.65 0.00 0.00 177.43 175.54 3ctt h ALA 421 N 1.02 1.28 -0.10 0.00 0.00 -1.49 0.26 119.26 120.24 3ctt h ALA 421 Ca 0.19 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ctt h ALA 421 Cb 0.51 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ctt h ALA 421 CO 0.02 0.57 -0.09 0.28 0.00 0.00 0.00 179.25 180.03 3ctt h VAL 422 N 1.04 0.73 -0.29 0.00 2.07 -1.39 0.12 116.25 118.53 3ctt h VAL 422 Ca 0.26 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.80 3ctt h VAL 422 Cb 0.06 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3ctt h VAL 422 CO -0.04 0.00 0.13 -0.25 0.02 0.00 0.00 177.57 177.43 3ctt h TRP 423 N -0.12 0.24 -0.71 1.57 7.01 -0.60 -2.08 115.95 121.26 3ctt h TRP 423 Ca 0.07 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 3ctt h TRP 423 Cb 0.22 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 3ctt h TRP 423 CO -0.20 0.13 0.34 2.35 -2.79 0.00 0.00 178.44 178.26 3ctt h TRP 424 N 0.28 1.03 -0.06 2.65 -0.00 -0.31 -2.06 115.95 117.48 3ctt h TRP 424 Ca 0.12 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.96 3ctt h TRP 424 Cb 0.05 -0.32 -0.00 0.00 -0.00 0.00 0.00 29.16 28.89 3ctt h TRP 424 CO -0.11 0.76 0.04 1.15 -0.00 0.00 0.00 178.44 180.28 3ctt h THR 425 N 1.00 1.02 -0.43 2.65 2.02 -0.35 -2.03 112.91 116.80 3ctt h THR 425 Ca 0.24 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 3ctt h THR 425 Cb 0.12 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3ctt h THR 425 CO -0.03 0.02 0.21 0.50 0.37 0.00 0.00 175.52 176.59 3ctt h LYS 426 N 0.07 0.59 -0.56 6.66 1.63 -1.22 0.71 116.57 124.44 3ctt h LYS 426 Ca 0.02 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.66 3ctt h LYS 426 Cb 0.00 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 3ctt h LYS 426 CO -0.00 0.46 -0.01 0.93 -3.45 0.00 0.00 179.45 177.37 3ctt h GLU 427 N 0.60 1.00 -0.44 1.90 4.39 -1.01 -0.52 114.58 120.51 3ctt h GLU 427 Ca 0.15 -0.32 -0.14 0.00 0.34 0.00 0.00 59.36 59.39 3ctt h GLU 427 Cb 0.06 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3ctt h GLU 427 CO -0.02 1.00 -0.25 0.74 -1.16 0.00 0.00 179.01 179.31 3ctt h PHE 428 N 0.88 1.10 0.18 4.33 0.04 -0.64 -1.42 116.94 121.41 3ctt h PHE 428 Ca 0.16 -0.29 0.01 0.00 2.80 0.00 0.00 57.97 60.65 3ctt h PHE 428 Cb 0.56 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 3ctt h PHE 428 CO 0.04 1.10 -0.52 1.49 -0.60 0.00 0.00 178.31 179.82 3ctt h GLU 429 N 0.78 -0.76 -0.59 1.51 4.81 -0.78 0.26 114.58 119.81 3ctt h GLU 429 Ca 0.09 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 3ctt h GLU 429 Cb 0.84 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 3ctt h GLU 429 CO 0.07 -0.51 0.29 -0.07 -0.73 0.00 0.00 179.01 178.07 3ctt h LEU 430 N -0.79 0.40 -0.76 1.64 3.38 -1.08 -2.48 115.31 115.62 3ctt h LEU 430 Ca -0.01 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3ctt h LEU 430 Cb 0.77 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3ctt h LEU 430 CO -0.25 0.26 -0.25 0.15 0.09 0.00 0.00 178.44 178.43 3ctt h PHE 431 N 0.54 0.76 0.00 1.13 3.57 -1.08 -3.04 116.94 118.82 3ctt h PHE 431 Ca 0.27 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3ctt h PHE 431 Cb 0.22 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3ctt h PHE 431 CO -0.11 0.86 -0.17 1.25 -2.23 0.00 0.00 178.31 177.90 3ctt h HIS 432 N 0.58 0.00 0.00 0.41 2.76 -0.09 -0.69 115.15 118.12 3ctt h HIS 432 Ca 0.08 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3ctt h HIS 432 Cb 0.74 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.69 3ctt h HIS 432 CO 0.03 0.17 -0.03 -0.91 -1.30 0.00 0.00 177.93 175.89 3ctt h ASN 433 N 0.00 0.00 0.00 3.26 2.35 -1.33 -3.26 115.58 116.60 3ctt h ASN 433 Ca -0.00 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.43 3ctt h ASN 433 Cb 0.31 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.63 3ctt h ASN 433 CO 0.02 0.03 -1.91 0.00 -1.65 0.00 0.00 177.43 173.93 3ctt n GLN 434 N -3.32 0.57 -4.04 0.81 6.02 -0.38 -4.90 117.38 112.14 3ctt n GLN 434 Ca -0.02 0.35 -0.32 0.00 -0.01 0.00 0.00 57.00 57.01 3ctt n GLN 434 Cb 0.17 -1.56 -0.15 0.00 1.02 0.00 0.00 30.24 29.72 3ctt n GLN 434 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ctt s VAL 435 N -2.51 1.93 -1.44 5.09 1.01 -0.53 -4.56 120.40 119.38 3ctt s VAL 435 Ca -0.34 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.21 3ctt s VAL 435 Cb 0.11 -2.00 0.05 0.00 0.00 0.00 0.00 36.38 34.53 3ctt s VAL 435 CO 0.49 0.09 2.30 -0.62 0.00 0.00 0.00 175.10 177.37 3ctt n GLU 436 N 4.56 3.33 -1.21 2.72 1.02 -1.23 -4.15 120.64 125.68 3ctt n GLU 436 Ca -0.15 -2.81 -0.31 0.00 -0.02 0.00 0.00 57.16 53.88 3ctt n GLU 436 Cb 0.45 -3.06 0.10 0.00 -0.02 0.00 0.00 31.44 28.91 3ctt n GLU 436 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3ctt s PHE 437 N 2.00 2.48 -0.06 -0.32 -0.12 -1.26 -4.86 117.98 115.84 3ctt s PHE 437 Ca 0.50 1.52 0.10 0.00 -0.05 0.00 0.00 56.93 59.00 3ctt s PHE 437 Cb 0.14 -3.08 -0.15 0.00 -0.63 0.00 0.00 43.02 39.30 3ctt s PHE 437 CO -0.06 -1.96 0.13 -0.25 -0.05 0.00 0.00 175.22 173.03 3ctt n ASP 438 N -3.63 2.49 -3.54 1.98 8.00 0.68 -4.95 116.55 117.58 3ctt n ASP 438 Ca 0.09 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 3ctt n ASP 438 Cb 0.53 1.10 -0.04 0.00 -0.02 0.00 0.00 41.12 42.69 3ctt n ASP 438 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ctt s GLY 439 N -3.79 0.93 -0.04 0.44 0.00 -0.99 -4.20 107.32 99.66 3ctt s GLY 439 Ca -0.05 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.55 3ctt s GLY 439 CO 0.44 -0.75 -0.10 -0.42 0.00 0.00 0.00 173.10 172.27 3ctt s ILE 440 N -3.38 0.89 -0.36 0.90 1.01 -0.33 -2.07 121.20 117.86 3ctt s ILE 440 Ca 0.25 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 3ctt s ILE 440 Cb -0.01 -0.81 0.07 0.00 0.01 0.00 0.00 42.46 41.71 3ctt s ILE 440 CO 0.14 0.29 0.13 0.86 0.00 0.00 0.00 174.94 176.36 3ctt s TRP 441 N 0.47 3.36 -0.27 3.97 -0.00 0.36 -1.23 118.94 125.60 3ctt s TRP 441 Ca -0.09 -1.80 -0.17 0.00 -0.00 0.00 0.00 56.10 54.04 3ctt s TRP 441 Cb -0.12 -2.60 -0.03 0.00 -0.00 0.00 0.00 33.47 30.72 3ctt s TRP 441 CO 0.02 -0.83 0.50 0.96 -0.00 0.00 0.00 176.95 177.59 3ctt s ILE 442 N 1.30 5.08 0.29 5.86 -4.36 0.18 -0.53 121.20 129.02 3ctt s ILE 442 Ca 0.01 0.78 0.10 0.00 -0.26 0.00 0.00 60.65 61.28 3ctt s ILE 442 Cb -0.21 -3.82 -0.05 0.00 1.25 0.00 0.00 42.46 39.62 3ctt s ILE 442 CO -0.00 0.06 -0.14 -0.62 0.24 0.00 0.00 174.94 174.48 3ctt s ASP 443 N 1.59 3.40 -1.74 4.36 2.15 -1.01 -2.26 116.67 123.16 3ctt s ASP 443 Ca 0.20 -1.10 -0.00 0.00 0.43 0.00 0.00 52.55 52.08 3ctt s ASP 443 Cb -0.16 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.19 3ctt s ASP 443 CO 0.10 -0.11 0.03 0.23 -0.17 0.00 0.00 175.17 175.25 3ctt n MET 444 N -0.64 -1.87 -1.12 4.34 2.81 -1.26 -4.11 117.12 115.28 3ctt n MET 444 Ca -0.05 0.98 -0.19 0.00 -1.81 0.00 0.00 57.70 56.63 3ctt n MET 444 Cb 0.62 -5.66 0.18 0.00 -0.71 0.00 0.00 33.22 27.65 3ctt n MET 444 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3ctt n ASN 445 N -2.03 3.46 0.04 7.83 6.94 -1.26 -1.68 115.26 128.57 3ctt n ASN 445 Ca -0.24 -3.67 -0.01 0.00 -0.02 0.00 0.00 54.58 50.65 3ctt n ASN 445 Cb 0.68 -0.78 0.29 0.00 -2.36 0.00 0.00 39.78 37.61 3ctt n ASN 445 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3ctt h GLU 446 N 1.03 0.41 -6.42 -3.83 3.07 -1.89 -1.80 114.58 105.15 3ctt h GLU 446 Ca 0.52 -0.12 -0.54 0.00 -0.50 0.00 0.00 59.36 58.72 3ctt h GLU 446 Cb 2.46 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 30.30 3ctt h GLU 446 CO 0.91 0.55 -0.09 0.54 -1.40 0.00 0.00 179.01 179.52 3ctt s VAL 447 N -4.69 4.89 -0.02 3.13 0.11 -1.26 -4.58 120.40 117.97 3ctt s VAL 447 Ca -0.06 0.63 -0.08 0.00 -2.93 0.00 0.00 61.98 59.53 3ctt s VAL 447 Cb 0.15 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 31.29 3ctt s VAL 447 CO 0.76 0.03 0.27 -0.55 -3.33 0.00 0.00 175.10 172.28 3ctt s SER 448 N -2.13 6.54 -0.03 3.54 0.15 -0.67 -4.40 113.70 116.69 3ctt s SER 448 Ca 0.45 0.63 -0.00 0.00 0.70 0.00 0.00 55.95 57.72 3ctt s SER 448 Cb -0.12 -2.12 0.03 0.00 -1.71 0.00 0.00 66.02 62.09 3ctt s SER 448 CO 0.20 0.30 0.02 0.21 1.20 0.00 0.00 173.24 175.17 3ctt s ASN 449 N -1.43 0.43 0.02 5.45 2.47 -0.18 -4.90 114.94 116.81 3ctt s ASN 449 Ca 0.24 0.01 0.17 0.00 0.42 0.00 0.00 52.86 53.70 3ctt s ASN 449 Cb -0.14 -0.17 0.74 0.00 -1.45 0.00 0.00 41.25 40.24 3ctt s ASN 449 CO 0.13 -0.13 1.56 0.49 -3.72 0.00 0.00 177.10 175.42 3ctt n PHE 450 N 4.34 0.07 -4.30 0.43 3.72 0.13 -4.20 117.46 117.64 3ctt n PHE 450 Ca -0.23 0.02 -0.24 0.00 -0.05 0.00 0.00 57.45 56.95 3ctt n PHE 450 Cb 0.50 -0.54 -0.08 0.00 -0.94 0.00 0.00 39.48 38.42 3ctt n PHE 450 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3ctt s VAL 451 N -3.02 3.31 -0.50 -4.37 -7.23 -1.26 -4.98 120.40 102.34 3ctt s VAL 451 Ca 0.08 -1.87 -0.25 0.00 -1.81 0.00 0.00 61.98 58.13 3ctt s VAL 451 Cb 0.11 -2.73 0.03 0.00 0.56 0.00 0.00 36.38 34.35 3ctt s VAL 451 CO 0.32 -0.30 0.94 -1.81 -0.31 0.00 0.00 175.10 173.94 3ctt s ASP 452 N -3.40 6.43 0.00 4.85 1.01 -1.26 -4.08 116.67 120.21 3ctt s ASP 452 Ca 0.29 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.47 3ctt s ASP 452 Cb -0.07 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.41 3ctt s ASP 452 CO 0.18 -1.14 0.00 0.61 0.21 0.00 0.00 175.17 175.03 3ctt n GLY 453 N 5.02 2.09 3.79 0.21 0.00 -0.25 -4.28 105.19 111.77 3ctt n GLY 453 Ca 0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 3ctt n GLY 453 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ctt s SER 454 N -2.44 -0.03 0.67 1.61 1.04 -1.24 -2.67 113.70 110.64 3ctt s SER 454 Ca 0.00 -0.98 0.45 0.00 0.48 0.00 0.00 55.95 55.90 3ctt s SER 454 Cb 0.00 0.78 2.42 0.00 0.10 0.00 0.00 66.02 69.32 3ctt s SER 454 CO 0.00 -1.52 2.37 -0.37 0.98 0.00 0.00 173.24 174.70 3ctt h VAL 455 N 2.02 0.01 -0.30 5.02 -1.51 -1.48 -0.99 116.25 119.01 3ctt h VAL 455 Ca -0.27 -0.01 -0.15 0.00 -1.23 0.00 0.00 66.70 65.04 3ctt h VAL 455 Cb 1.25 1.01 -0.09 0.00 -2.13 0.00 0.00 31.29 31.33 3ctt h VAL 455 CO 0.34 0.00 -0.13 -1.54 -1.23 0.00 0.00 177.57 175.02 3ctt n SER 456 N -3.09 2.44 0.00 4.19 3.41 -1.26 -5.10 113.62 114.21 3ctt n SER 456 Ca -0.03 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 3ctt n SER 456 Cb 0.08 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 3ctt n SER 456 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ctt n GLY 457 N -1.10 0.55 3.08 5.00 0.00 -0.38 -4.87 105.19 107.47 3ctt n GLY 457 Ca 0.31 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 3ctt n GLY 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ctt s SER 459 N -1.27 5.94 -0.22 0.00 0.01 -1.26 -4.95 113.70 111.95 3ctt s SER 459 Ca -0.04 2.59 -0.29 0.00 1.31 0.00 0.00 55.95 59.52 3ctt s SER 459 Cb -0.08 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 3ctt s SER 459 CO 0.01 -1.10 1.56 -0.89 0.41 0.00 0.00 173.24 173.23 3ctt s THR 460 N -1.36 3.77 0.27 1.44 2.01 -1.26 -4.64 115.64 115.88 3ctt s THR 460 Ca 0.63 0.88 -0.20 0.00 0.31 0.00 0.00 61.69 63.32 3ctt s THR 460 Cb -0.36 -3.76 0.06 0.00 0.01 0.00 0.00 72.50 68.44 3ctt s THR 460 CO 0.44 -0.29 0.88 0.54 -0.69 0.00 0.00 174.62 175.50 3ctt s ASN 461 N 3.86 -0.07 0.38 3.53 2.20 -1.26 -5.02 114.94 118.56 3ctt s ASN 461 Ca 0.69 -0.80 0.28 0.00 -0.94 0.00 0.00 52.86 52.09 3ctt s ASN 461 Cb -0.24 0.67 1.23 0.00 -2.00 0.00 0.00 41.25 40.91 3ctt s ASN 461 CO 0.28 -1.31 1.83 -0.55 -2.94 0.00 0.00 177.10 174.41 3ctt h ASN 462 N 2.00 0.00 0.00 3.54 -1.07 -1.93 0.37 115.58 118.49 3ctt h ASN 462 Ca -0.27 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.02 3ctt h ASN 462 Cb 1.24 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.48 3ctt h ASN 462 CO 0.34 0.00 -0.39 -0.07 0.07 0.00 0.00 177.43 177.37 3ctt h LEU 463 N 0.00 0.00 -0.50 6.14 3.38 -1.94 -3.08 115.31 119.31 3ctt h LEU 463 Ca 0.00 -0.85 -0.15 0.00 0.09 0.00 0.00 57.88 56.97 3ctt h LEU 463 Cb 0.33 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ctt h LEU 463 CO 0.00 1.15 -0.71 0.78 0.09 0.00 0.00 178.44 179.75 3ctt h ASN 464 N -1.00 0.00 -2.48 -0.43 -0.26 -1.79 -3.38 115.58 106.25 3ctt h ASN 464 Ca -0.11 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.04 3ctt h ASN 464 Cb 1.10 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 37.96 3ctt h ASN 464 CO -0.06 0.71 -0.88 0.59 -1.06 0.00 0.00 177.43 176.73 3ctt n ASN 465 N -3.60 0.66 -4.83 5.81 3.02 0.13 -4.57 115.26 111.87 3ctt n ASN 465 Ca -0.01 -2.67 -0.30 0.00 -0.03 0.00 0.00 54.58 51.57 3ctt n ASN 465 Cb 0.72 -0.62 0.08 0.00 -0.61 0.00 0.00 39.78 39.35 3ctt n ASN 465 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ctt s PRO 466 N -0.61 2.30 0.38 3.52 0.04 -1.16 -4.26 135.00 135.21 3ctt s PRO 466 Ca 0.32 0.56 0.07 0.00 0.04 0.00 0.00 61.00 61.99 3ctt s PRO 466 Cb 0.04 -1.95 0.76 0.00 0.04 0.00 0.00 34.50 33.39 3ctt s PRO 466 CO -0.17 -1.45 1.95 -1.35 0.04 0.00 0.00 177.00 176.01 3ctt h PRO 467 N -0.96 0.41 -5.01 0.56 0.11 -1.87 -3.41 132.00 121.83 3ctt h PRO 467 Ca -0.46 -0.07 -0.50 0.00 0.11 0.00 0.00 66.00 65.08 3ctt h PRO 467 Cb 1.27 -0.07 -0.31 0.00 0.11 0.00 0.00 31.00 32.00 3ctt h PRO 467 CO 0.61 0.42 -0.81 0.12 -0.21 0.00 0.00 178.00 178.12 3ctt s PHE 468 N -5.03 1.37 -0.15 0.65 5.36 -1.26 -4.96 117.98 113.96 3ctt s PHE 468 Ca -0.07 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 55.55 3ctt s PHE 468 Cb 0.16 -0.93 0.01 0.00 -0.34 0.00 0.00 43.02 41.91 3ctt s PHE 468 CO 0.74 -0.13 -0.20 0.99 -1.46 0.00 0.00 175.22 175.17 3ctt s THR 469 N 0.08 2.21 1.14 0.12 2.01 -1.26 -4.95 115.64 114.98 3ctt s THR 469 Ca -0.03 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.93 3ctt s THR 469 Cb -0.10 -1.90 0.27 0.00 0.01 0.00 0.00 72.50 70.78 3ctt s THR 469 CO 0.01 0.54 1.04 -2.84 -0.69 0.00 0.00 174.62 172.68 3ctt s PRO 470 N 0.93 -0.75 -0.16 4.92 0.02 -1.26 -4.82 135.00 133.87 3ctt s PRO 470 Ca -0.04 0.77 -0.06 0.00 0.02 0.00 0.00 61.00 61.69 3ctt s PRO 470 Cb -0.15 -1.58 -0.21 0.00 0.02 0.00 0.00 34.50 32.58 3ctt s PRO 470 CO -0.04 -3.59 3.47 2.89 -0.33 0.00 0.00 177.00 179.40 3ctt n ARG 471 N -4.82 2.17 -1.97 5.54 1.85 -1.26 -4.87 116.66 113.30 3ctt n ARG 471 Ca 0.03 -1.26 -0.37 0.00 -1.00 0.00 0.00 57.85 55.25 3ctt n ARG 471 Cb 0.55 -2.07 0.04 0.00 -1.05 0.00 0.00 32.46 29.93 3ctt n ARG 471 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 3ctt s ILE 472 N 0.62 2.51 0.09 8.89 -4.36 -1.26 -4.77 121.20 122.92 3ctt s ILE 472 Ca 0.66 0.33 -0.37 0.00 -0.26 0.00 0.00 60.65 61.02 3ctt s ILE 472 Cb 0.32 -3.14 -0.17 0.00 1.25 0.00 0.00 42.46 40.72 3ctt s ILE 472 CO -0.03 -0.05 1.33 -0.11 0.24 0.00 0.00 174.94 176.31 3ctt n LEU 473 N -1.46 1.64 0.00 0.37 7.94 -1.26 -1.18 117.00 123.04 3ctt n LEU 473 Ca 0.13 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 3ctt n LEU 473 Cb 0.49 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.24 3ctt n LEU 473 CO 0.46 -1.06 0.00 0.47 -1.11 0.00 0.00 177.39 176.15 3ctt n ASP 474 N 2.49 0.00 -0.00 1.96 8.00 -1.26 -4.39 116.55 123.35 3ctt n ASP 474 Ca 0.18 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.68 3ctt n ASP 474 Cb 0.19 -0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3ctt n ASP 474 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ctt n GLY 475 N -1.19 0.47 3.05 0.44 0.00 -0.33 -5.03 105.19 102.60 3ctt n GLY 475 Ca 0.00 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 3ctt n GLY 475 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ctt s TYR 476 N -2.00 1.27 0.30 1.61 2.02 -1.26 -4.98 117.35 114.31 3ctt s TYR 476 Ca 0.00 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3ctt s TYR 476 Cb 0.00 -0.89 0.56 0.00 -0.40 0.00 0.00 41.96 41.24 3ctt s TYR 476 CO 0.00 -0.14 1.89 -0.07 -1.57 0.00 0.00 175.55 175.66 3ctt h LEU 477 N 6.43 0.89 -0.19 -1.29 3.38 -1.93 -2.91 115.31 119.68 3ctt h LEU 477 Ca -0.33 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3ctt h LEU 477 Cb 1.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ctt h LEU 477 CO 0.48 0.54 -0.10 2.22 0.09 0.00 0.00 178.44 181.67 3ctt n PHE 478 N -4.52 0.00 -1.67 1.13 1.16 -1.26 -4.80 117.46 107.50 3ctt n PHE 478 Ca 0.15 0.00 -0.48 0.00 -1.87 0.00 0.00 57.45 55.25 3ctt n PHE 478 Cb 0.26 -0.20 -0.05 0.00 -1.61 0.00 0.00 39.48 37.88 3ctt n PHE 478 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3ctt n LYS 480 N 4.47 -2.72 0.00 0.00 4.76 -1.26 -4.91 118.16 118.50 3ctt n LYS 480 Ca 0.19 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 3ctt n LYS 480 Cb 0.27 -5.23 0.00 0.00 -1.84 0.00 0.00 35.03 28.23 3ctt n LYS 480 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3ctt n THR 481 N -3.61 0.00 -3.08 -0.18 5.66 -0.70 -1.01 114.28 111.37 3ctt n THR 481 Ca -0.11 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.63 3ctt n THR 481 Cb 0.59 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.36 3ctt n THR 481 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3ctt s LEU 482 N 0.00 3.87 0.20 1.09 1.43 -1.26 -1.09 118.68 122.91 3ctt s LEU 482 Ca 0.00 0.68 -0.32 0.00 -1.03 0.00 0.00 54.13 53.47 3ctt s LEU 482 Cb 0.00 -3.58 -0.15 0.00 0.03 0.00 0.00 46.19 42.49 3ctt s LEU 482 CO 0.00 -0.39 1.16 0.00 0.23 0.00 0.00 176.35 177.34 3ctt h MET 484 N 3.21 0.00 -0.12 0.00 0.00 -1.92 -1.74 114.93 114.36 3ctt h MET 484 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.27 3ctt h MET 484 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.94 3ctt h MET 484 CO 0.69 0.03 0.00 -0.40 0.00 0.00 0.00 176.91 177.23 3ctt n ASP 485 N -3.50 1.85 -4.62 1.22 5.68 -1.26 -1.16 116.55 114.75 3ctt n ASP 485 Ca -0.02 -1.68 -0.38 0.00 -0.50 0.00 0.00 54.79 52.21 3ctt n ASP 485 Cb 0.13 -0.07 0.05 0.00 -1.14 0.00 0.00 41.12 40.09 3ctt n ASP 485 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ctt n ALA 486 N 0.44 0.26 -2.67 2.12 0.00 -0.65 -3.62 120.51 116.38 3ctt n ALA 486 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.34 3ctt n ALA 486 Cb 0.38 -2.13 -0.16 0.00 0.00 0.00 0.00 19.45 17.54 3ctt n ALA 486 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ctt s VAL 487 N -1.50 1.63 0.19 0.00 1.01 0.66 -0.48 120.40 121.90 3ctt s VAL 487 Ca 0.76 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 3ctt s VAL 487 Cb -0.41 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3ctt s VAL 487 CO 0.46 0.46 0.20 -1.10 0.00 0.00 0.00 175.10 175.12 3ctt s GLN 488 N -0.22 1.21 0.18 2.72 -0.21 -0.45 -1.47 119.66 121.42 3ctt s GLN 488 Ca 0.01 -1.48 -0.14 0.00 0.02 0.00 0.00 55.36 53.77 3ctt s GLN 488 Cb -0.10 0.31 0.16 0.00 1.00 0.00 0.00 33.01 34.38 3ctt s GLN 488 CO 0.01 -0.42 1.69 1.25 -2.12 0.00 0.00 175.29 175.71 3ctt h HIS 489 N 2.58 0.00 0.00 0.91 -0.00 -1.92 -2.44 115.15 114.30 3ctt h HIS 489 Ca -0.34 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 3ctt h HIS 489 Cb 1.24 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3ctt h HIS 489 CO 0.38 -0.08 0.00 0.91 -0.00 0.00 0.00 177.93 179.13 3ctt n TRP 490 N -5.20 0.89 -1.21 5.26 8.01 -1.26 -5.00 117.44 118.92 3ctt n TRP 490 Ca 0.05 0.28 0.00 0.00 -1.31 0.00 0.00 57.50 56.52 3ctt n TRP 490 Cb 0.25 -0.96 0.00 0.00 -2.01 0.00 0.00 31.31 28.59 3ctt n TRP 490 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ctt n GLY 491 N 0.97 0.18 3.79 6.99 0.00 -0.92 -4.96 105.19 111.24 3ctt n GLY 491 Ca 0.05 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 3ctt n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ctt s LYS 492 N -2.00 4.43 0.35 1.61 1.02 -1.26 -1.35 119.74 122.55 3ctt s LYS 492 Ca 0.00 1.32 0.10 0.00 0.02 0.00 0.00 55.97 57.41 3ctt s LYS 492 Cb 0.00 -2.62 0.86 0.00 -0.52 0.00 0.00 37.83 35.55 3ctt s LYS 492 CO 0.00 0.14 1.82 0.37 -0.92 0.00 0.00 175.35 176.76 3ctt h GLN 493 N 2.78 0.62 -0.96 1.68 5.75 -0.68 -0.33 115.11 123.97 3ctt h GLN 493 Ca -0.48 -0.04 0.31 0.00 -0.15 0.00 0.00 58.65 58.30 3ctt h GLN 493 Cb 1.19 -0.14 -0.16 0.00 1.07 0.00 0.00 27.48 29.44 3ctt h GLN 493 CO 0.64 0.41 0.37 -0.92 -2.65 0.00 0.00 178.83 176.68 3ctt h TYR 494 N 0.64 0.56 0.07 3.99 3.20 -1.42 0.28 116.97 124.30 3ctt h TYR 494 Ca 0.52 0.05 -0.33 0.00 3.14 0.00 0.00 58.73 62.10 3ctt h TYR 494 Cb 0.95 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 3ctt h TYR 494 CO -0.00 -0.31 -1.89 -0.25 -1.64 0.00 0.00 178.16 174.07 3ctt n ASP 495 N -5.23 1.58 -0.43 -2.11 8.00 -0.20 -4.58 116.55 113.58 3ctt n ASP 495 Ca 0.29 0.29 0.04 0.00 0.71 0.00 0.00 54.79 56.12 3ctt n ASP 495 Cb 0.93 -0.50 0.10 0.00 -0.02 0.00 0.00 41.12 41.63 3ctt n ASP 495 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3ctt n ILE 496 N -3.29 0.91 -0.08 0.53 -5.35 -0.82 -4.23 119.36 107.03 3ctt n ILE 496 Ca -0.26 -0.96 -0.06 0.00 -0.27 0.00 0.00 62.75 61.20 3ctt n ILE 496 Cb 1.05 0.56 -0.00 0.00 -1.74 0.00 0.00 39.64 39.51 3ctt n ILE 496 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 3ctt h HIS 497 N 1.39 -0.45 0.00 4.28 2.76 -0.70 -0.29 115.15 122.14 3ctt h HIS 497 Ca 0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3ctt h HIS 497 Cb 0.63 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.84 3ctt h HIS 497 CO 0.14 -0.26 0.00 0.09 -1.30 0.00 0.00 177.93 176.61 3ctt n ASN 498 N -5.35 0.00 -0.89 3.26 5.03 -1.26 -2.17 115.26 113.88 3ctt n ASN 498 Ca 0.01 0.39 0.11 0.00 0.87 0.00 0.00 54.58 55.96 3ctt n ASN 498 Cb 0.26 -0.42 0.11 0.00 -1.02 0.00 0.00 39.78 38.72 3ctt n ASN 498 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3ctt n LEU 499 N -1.42 2.88 0.00 3.41 4.77 -0.12 -4.58 117.00 121.94 3ctt n LEU 499 Ca 0.02 -1.11 -0.13 0.00 -0.03 0.00 0.00 56.01 54.76 3ctt n LEU 499 Cb 0.05 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3ctt n LEU 499 CO 0.04 0.52 0.73 0.22 -1.33 0.00 0.00 177.39 177.57 3ctt h TYR 500 N 4.14 0.01 -0.61 -1.77 3.20 -1.45 -0.49 116.97 120.01 3ctt h TYR 500 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3ctt h TYR 500 Cb 0.89 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 3ctt h TYR 500 CO 0.05 0.31 0.27 0.78 -1.64 0.00 0.00 178.16 177.93 3ctt h GLY 501 N -0.29 0.96 0.62 1.82 0.00 -1.57 0.90 103.07 105.52 3ctt h GLY 501 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 47.33 46.86 3ctt h GLY 501 CO 0.00 0.48 -0.06 -1.82 0.00 0.00 0.00 176.54 175.14 3ctt h TYR 502 N 0.84 -0.14 -0.67 5.60 3.20 -1.73 0.69 116.97 124.76 3ctt h TYR 502 Ca 0.21 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3ctt h TYR 502 Cb 0.17 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3ctt h TYR 502 CO 0.01 -0.10 0.23 0.66 -1.64 0.00 0.00 178.16 177.31 3ctt h SER 503 N -0.03 0.94 -0.54 -2.11 4.64 -0.81 -0.15 113.55 115.49 3ctt h SER 503 Ca 0.09 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 3ctt h SER 503 Cb 0.16 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3ctt h SER 503 CO -0.19 0.87 0.12 -0.03 -0.87 0.00 0.00 176.83 176.73 3ctt h MET 504 N 0.99 0.88 -0.69 4.77 1.85 -0.56 -1.28 114.93 120.89 3ctt h MET 504 Ca 0.22 -0.22 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 3ctt h MET 504 Cb 0.26 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.14 3ctt h MET 504 CO -0.01 0.84 0.38 0.00 -0.40 0.00 0.00 176.91 177.71 3ctt h ALA 505 N 1.01 0.88 -0.65 0.39 0.00 -0.22 -0.42 119.26 120.24 3ctt h ALA 505 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ctt h ALA 505 Cb 0.36 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3ctt h ALA 505 CO 0.00 0.39 0.41 0.28 0.00 0.00 0.00 179.25 180.34 3ctt h VAL 506 N 0.94 1.11 -0.08 0.00 2.07 -0.76 -1.44 116.25 118.09 3ctt h VAL 506 Ca 0.24 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.33 3ctt h VAL 506 Cb 0.04 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3ctt h VAL 506 CO -0.04 0.15 -0.59 0.00 0.02 0.00 0.00 177.57 177.11 3ctt h ALA 507 N 1.27 0.85 -0.11 1.67 0.00 -0.96 -1.57 119.26 120.41 3ctt h ALA 507 Ca 0.25 -0.54 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 3ctt h ALA 507 Cb -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3ctt h ALA 507 CO -0.09 0.72 -0.70 1.15 0.00 0.00 0.00 179.25 180.33 3ctt h THR 508 N 0.20 1.35 -0.36 0.00 2.02 -0.73 -2.07 112.91 113.32 3ctt h THR 508 Ca -0.00 -2.04 -0.05 0.00 0.77 0.00 0.00 66.41 65.08 3ctt h THR 508 Cb 1.10 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 3ctt h THR 508 CO 0.09 0.62 0.02 0.00 0.37 0.00 0.00 175.52 176.62 3ctt h ALA 509 N 0.89 0.49 -0.50 6.16 0.00 -1.16 -1.46 119.26 123.68 3ctt h ALA 509 Ca -0.03 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.75 3ctt h ALA 509 Cb 1.27 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 3ctt h ALA 509 CO 0.13 0.24 -0.16 1.49 0.00 0.00 0.00 179.25 180.95 3ctt h GLU 510 N 0.45 -0.04 -0.88 0.00 4.57 -1.26 -2.22 114.58 115.20 3ctt h GLU 510 Ca 0.11 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 3ctt h GLU 510 Cb 0.44 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.97 3ctt h GLU 510 CO 0.02 -0.02 0.55 0.00 -1.18 0.00 0.00 179.01 178.37 3ctt h ALA 511 N 1.42 1.22 -0.59 2.92 0.00 -1.21 -1.42 119.26 121.60 3ctt h ALA 511 Ca 0.24 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.23 3ctt h ALA 511 Cb 0.40 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3ctt h ALA 511 CO -0.54 0.30 0.39 0.00 0.00 0.00 0.00 179.25 179.40 3ctt h ALA 512 N 1.42 1.97 -0.96 0.00 0.00 -0.68 0.42 119.26 121.42 3ctt h ALA 512 Ca 0.39 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.51 3ctt h ALA 512 Cb 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3ctt h ALA 512 CO -0.18 -0.09 0.63 0.87 0.00 0.00 0.00 179.25 180.48 3ctt h LYS 513 N 0.44 0.41 0.05 0.00 1.57 -0.78 0.14 116.57 118.38 3ctt h LYS 513 Ca 0.27 -0.02 -0.38 0.00 -1.87 0.00 0.00 60.65 58.64 3ctt h LYS 513 Cb 0.47 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 3ctt h LYS 513 CO -0.07 0.27 -2.25 2.41 -0.57 0.00 0.00 179.45 179.24 3ctt n THR 514 N -4.55 1.61 0.09 -0.16 -1.04 -0.65 -3.93 114.28 105.65 3ctt n THR 514 Ca 0.21 -0.56 -0.11 0.00 -2.04 0.00 0.00 64.05 61.55 3ctt n THR 514 Cb 0.76 -1.60 -0.07 0.00 -1.82 0.00 0.00 70.33 67.60 3ctt n THR 514 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3ctt h VAL 515 N -0.09 1.51 -2.11 12.58 2.07 -0.72 -3.36 116.25 126.13 3ctt h VAL 515 Ca -0.52 -2.82 -0.58 0.00 0.82 0.00 0.00 66.70 63.60 3ctt h VAL 515 Cb 1.90 2.64 -0.41 0.00 -1.52 0.00 0.00 31.29 33.91 3ctt h VAL 515 CO -0.05 0.82 -0.82 0.49 0.02 0.00 0.00 177.57 178.03 3ctt n PHE 516 N -3.60 1.93 -1.69 1.57 3.72 0.46 -5.05 117.46 114.80 3ctt n PHE 516 Ca -0.05 -3.90 -0.45 0.00 -0.05 0.00 0.00 57.45 53.01 3ctt n PHE 516 Cb 0.89 -0.47 -0.04 0.00 -0.94 0.00 0.00 39.48 38.93 3ctt n PHE 516 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3ctt n PRO 517 N 1.01 2.39 -1.08 -1.08 -0.02 -1.25 -1.05 135.00 133.91 3ctt n PRO 517 Ca 0.26 0.86 -0.06 0.00 -2.02 0.00 0.00 63.50 62.54 3ctt n PRO 517 Cb 0.47 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 3ctt n PRO 517 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ctt n ASN 518 N 3.68 -5.12 -4.82 2.55 3.02 -1.26 -5.00 115.26 108.32 3ctt n ASN 518 Ca 0.17 0.14 -0.29 0.00 -0.03 0.00 0.00 54.58 54.57 3ctt n ASN 518 Cb 0.31 -3.51 -0.05 0.00 -0.61 0.00 0.00 39.78 35.92 3ctt n ASN 518 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ctt s LYS 519 N -2.32 3.01 0.14 3.52 -0.14 -0.21 -0.36 119.74 123.37 3ctt s LYS 519 Ca 0.00 -0.72 -0.10 0.00 -1.36 0.00 0.00 55.97 53.80 3ctt s LYS 519 Cb 0.00 -2.76 -0.06 0.00 -1.68 0.00 0.00 37.83 33.34 3ctt s LYS 519 CO 0.00 0.54 1.41 0.00 -0.76 0.00 0.00 175.35 176.53 3ctt h ARG 520 N 2.83 0.78 0.00 1.68 3.08 -1.32 -3.42 114.38 118.01 3ctt h ARG 520 Ca -0.47 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.05 3ctt h ARG 520 Cb 1.18 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3ctt h ARG 520 CO 0.66 1.15 0.00 0.45 -1.07 0.00 0.00 179.97 181.16 3ctt n SER 521 N -3.97 0.00 -3.64 7.04 2.88 -1.26 -4.83 113.62 109.84 3ctt n SER 521 Ca -0.05 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.43 3ctt n SER 521 Cb 0.65 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.05 3ctt n SER 521 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3ctt s PHE 522 N 0.00 -0.90 -0.10 0.66 5.36 -1.26 -3.97 117.98 117.77 3ctt s PHE 522 Ca 0.00 1.83 0.01 0.00 -0.96 0.00 0.00 56.93 57.81 3ctt s PHE 522 Cb 0.00 0.53 0.02 0.00 -0.34 0.00 0.00 43.02 43.23 3ctt s PHE 522 CO 0.00 -0.44 -0.10 0.42 -1.46 0.00 0.00 175.22 173.63 3ctt s ILE 523 N 1.43 1.14 -0.21 3.12 1.01 -1.26 -1.18 121.20 125.25 3ctt s ILE 523 Ca -0.09 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 3ctt s ILE 523 Cb -0.05 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 3ctt s ILE 523 CO -0.17 0.37 0.01 -0.22 0.00 0.00 0.00 174.94 174.93 3ctt s LEU 524 N 1.25 3.25 0.02 2.97 2.96 -0.37 -0.83 118.68 127.93 3ctt s LEU 524 Ca -0.03 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.73 3ctt s LEU 524 Cb -0.14 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3ctt s LEU 524 CO -0.04 0.04 -0.22 0.28 -1.32 0.00 0.00 176.35 175.09 3ctt s THR 525 N 1.17 2.42 -0.10 3.68 -1.32 0.10 0.48 115.64 122.06 3ctt s THR 525 Ca 0.03 -1.18 -0.01 0.00 -1.21 0.00 0.00 61.69 59.32 3ctt s THR 525 Cb -0.14 -1.94 -0.00 0.00 -1.51 0.00 0.00 72.50 68.90 3ctt s THR 525 CO 0.01 0.44 -0.02 -0.09 -2.21 0.00 0.00 174.62 172.75 3ctt h ARG 526 N 4.96 0.00 -6.49 7.08 2.43 -1.76 -3.29 114.38 117.31 3ctt h ARG 526 Ca -0.46 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.18 3ctt h ARG 526 Cb 1.14 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3ctt h ARG 526 CO 0.46 0.00 0.20 0.45 -1.51 0.00 0.00 179.97 179.57 3ctt s SER 527 N -5.55 7.37 0.12 -3.80 0.15 -1.26 -4.54 113.70 106.19 3ctt s SER 527 Ca -0.02 1.63 -0.01 0.00 0.70 0.00 0.00 55.95 58.26 3ctt s SER 527 Cb 0.00 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 3ctt s SER 527 CO 0.03 0.14 0.04 0.42 1.20 0.00 0.00 173.24 175.07 3ctt s THR 528 N -0.82 0.17 0.26 6.45 -4.23 -1.25 -4.26 115.64 111.95 3ctt s THR 528 Ca 0.37 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 3ctt s THR 528 Cb -0.23 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 3ctt s THR 528 CO 0.26 -0.54 0.18 0.12 -0.54 0.00 0.00 174.62 174.10 3ctt s PHE 529 N -3.99 1.43 -0.12 3.99 5.36 -1.26 -1.62 117.98 121.76 3ctt s PHE 529 Ca 0.22 -1.47 -0.33 0.00 -0.96 0.00 0.00 56.93 54.38 3ctt s PHE 529 Cb 0.07 -0.66 -0.11 0.00 -0.34 0.00 0.00 43.02 41.99 3ctt s PHE 529 CO 0.00 -0.70 1.97 0.00 -1.46 0.00 0.00 175.22 175.03 3ctt n ALA 530 N -0.43 1.10 0.00 11.12 0.00 -1.22 -1.90 120.51 129.18 3ctt n ALA 530 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3ctt n ALA 530 Cb 0.65 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3ctt n ALA 530 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ctt n GLY 531 N 4.81 0.55 0.30 0.00 0.00 -1.26 -4.97 105.19 104.61 3ctt n GLY 531 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3ctt n GLY 531 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ctt h SER 532 N 0.00 0.00 -0.08 1.61 0.02 -1.71 -2.07 113.55 111.32 3ctt h SER 532 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3ctt h SER 532 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ctt h SER 532 CO 0.00 0.00 0.08 1.23 -1.14 0.00 0.00 176.83 177.00 3ctt h GLY 533 N 0.00 0.00 0.72 -3.77 0.00 -1.72 0.90 103.07 99.20 3ctt h GLY 533 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.55 3ctt h GLY 533 CO -0.00 0.00 0.46 1.70 0.00 0.00 0.00 176.54 178.70 3ctt h LYS 534 N 0.00 0.00 0.00 4.80 3.64 -1.51 -1.70 116.57 121.80 3ctt h LYS 534 Ca 0.04 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3ctt h LYS 534 Cb 0.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3ctt h LYS 534 CO -0.00 0.00 -1.23 1.19 -2.27 0.00 0.00 179.45 177.14 3ctt n PHE 535 N -4.31 0.00 -3.74 1.91 3.72 0.09 -3.34 117.46 111.79 3ctt n PHE 535 Ca 0.12 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.41 3ctt n PHE 535 Cb 0.71 -0.15 -0.06 0.00 -0.94 0.00 0.00 39.48 39.03 3ctt n PHE 535 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ctt s ALA 536 N -2.15 -0.68 0.72 4.37 0.00 0.07 -4.57 121.76 119.52 3ctt s ALA 536 Ca -0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 3ctt s ALA 536 Cb 0.02 0.45 0.06 0.00 0.00 0.00 0.00 23.12 23.65 3ctt s ALA 536 CO 0.15 -0.50 1.04 0.00 0.00 0.00 0.00 175.76 176.46 3ctt s ALA 537 N -3.15 3.05 0.02 0.00 0.00 -0.01 -4.13 121.76 117.53 3ctt s ALA 537 Ca -0.01 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3ctt s ALA 537 Cb 0.01 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 3ctt s ALA 537 CO -0.07 -1.32 -0.06 -1.58 0.00 0.00 0.00 175.76 172.72 3ctt s HIS 538 N -3.30 0.56 0.21 0.00 2.46 -0.39 -0.72 115.29 114.11 3ctt s HIS 538 Ca 0.60 -0.32 0.11 0.00 0.47 0.00 0.00 55.06 55.92 3ctt s HIS 538 Cb -0.11 -0.35 -0.05 0.00 -0.13 0.00 0.00 32.58 31.95 3ctt s HIS 538 CO 0.46 -0.05 -0.23 1.67 -2.47 0.00 0.00 174.74 174.12 3ctt s TRP 539 N -0.84 2.32 -2.00 3.88 -2.14 -1.24 -3.20 118.94 115.71 3ctt s TRP 539 Ca -0.05 -0.35 0.13 0.00 2.66 0.00 0.00 56.10 58.49 3ctt s TRP 539 Cb -0.07 -1.12 0.77 0.00 -3.10 0.00 0.00 33.47 29.95 3ctt s TRP 539 CO 0.00 0.54 1.49 1.28 -2.66 0.00 0.00 176.95 177.59 3ctt n LEU 540 N 0.11 0.00 0.00 -4.66 4.77 -0.71 -4.84 117.00 111.67 3ctt n LEU 540 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3ctt n LEU 540 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3ctt n LEU 540 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3ctt n GLY 541 N 0.69 -0.97 3.26 -0.72 0.00 -1.26 -4.71 105.19 101.47 3ctt n GLY 541 Ca 0.10 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 3ctt n GLY 541 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ctt n ASP 542 N 0.22 4.90 -2.36 1.61 8.00 -1.26 -4.52 116.55 123.14 3ctt n ASP 542 Ca 0.00 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.53 3ctt n ASP 542 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 39.48 3ctt n ASP 542 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ctt n ASN 543 N 6.13 -0.49 -4.02 -2.24 6.94 -1.26 -4.23 115.26 116.09 3ctt n ASN 543 Ca 0.43 -0.67 -0.12 0.00 -0.02 0.00 0.00 54.58 54.21 3ctt n ASN 543 Cb 0.42 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.72 3ctt n ASN 543 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3ctt s THR 544 N -0.91 0.37 -1.28 5.53 2.01 -1.26 -1.56 115.64 118.53 3ctt s THR 544 Ca 0.00 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.87 3ctt s THR 544 Cb 0.00 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 3ctt s THR 544 CO 0.00 -0.40 2.15 0.00 -0.69 0.00 0.00 174.62 175.68 3ctt n ALA 545 N 1.60 4.95 -2.29 7.40 0.00 0.01 -4.57 120.51 127.61 3ctt n ALA 545 Ca -0.23 -3.73 -0.16 0.00 0.00 0.00 0.00 53.44 49.32 3ctt n ALA 545 Cb 0.55 -3.57 -0.10 0.00 0.00 0.00 0.00 19.45 16.33 3ctt n ALA 545 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ctt s THR 546 N 3.69 1.26 0.28 0.00 -4.23 -1.26 -4.77 115.64 110.60 3ctt s THR 546 Ca 0.50 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 3ctt s THR 546 Cb 0.14 -2.01 0.16 0.00 1.34 0.00 0.00 72.50 72.13 3ctt s THR 546 CO -0.03 -0.61 1.83 -0.50 -0.54 0.00 0.00 174.62 174.76 3ctt h TRP 547 N 2.66 0.87 0.03 3.99 4.06 -1.93 -2.55 115.95 123.07 3ctt h TRP 547 Ca -0.37 -0.08 0.03 0.00 2.06 0.00 0.00 58.89 60.53 3ctt h TRP 547 Cb 1.20 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 29.06 3ctt h TRP 547 CO 0.65 0.72 -0.28 -0.44 -3.56 0.00 0.00 178.44 175.53 3ctt h ASP 548 N 0.82 -0.82 -0.86 -3.49 3.32 -1.95 -1.97 116.42 111.46 3ctt h ASP 548 Ca 0.18 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.42 3ctt h ASP 548 Cb 0.28 0.33 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 3ctt h ASP 548 CO -0.00 -0.35 0.56 0.44 -1.72 0.00 0.00 179.24 178.16 3ctt h ASP 549 N -0.44 0.80 0.16 6.45 3.32 -1.79 0.41 116.42 125.33 3ctt h ASP 549 Ca 0.06 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ctt h ASP 549 Cb 0.51 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3ctt h ASP 549 CO -0.22 0.49 -0.11 0.25 -1.72 0.00 0.00 179.24 177.92 3ctt h LEU 550 N 0.89 -0.28 -0.43 1.55 5.85 -1.16 -2.30 115.31 119.43 3ctt h LEU 550 Ca 0.39 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.17 3ctt h LEU 550 Cb 0.33 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3ctt h LEU 550 CO -0.15 -0.18 0.20 0.03 -0.34 0.00 0.00 178.44 178.00 3ctt h ARG 551 N -0.27 0.40 0.00 1.25 3.08 -0.87 -2.81 114.38 115.15 3ctt h ARG 551 Ca -0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ctt h ARG 551 Cb 0.24 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3ctt h ARG 551 CO -0.00 0.26 -0.01 -1.49 -1.07 0.00 0.00 179.97 177.67 3ctt h TRP 552 N 0.41 0.00 -0.89 3.04 6.55 -0.86 -2.99 115.95 121.21 3ctt h TRP 552 Ca 0.19 0.00 0.04 0.00 0.95 0.00 0.00 58.89 60.07 3ctt h TRP 552 Cb 0.11 0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.36 3ctt h TRP 552 CO -0.11 0.01 0.58 0.66 -1.05 0.00 0.00 178.44 178.53 3ctt h SER 553 N 0.00 0.94 0.14 -3.49 4.64 -1.13 -3.22 113.55 111.43 3ctt h SER 553 Ca -0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3ctt h SER 553 Cb 0.24 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3ctt h SER 553 CO 0.00 0.64 -0.07 0.40 -0.87 0.00 0.00 176.83 176.93 3ctt h ILE 554 N 1.09 0.95 -0.15 0.95 2.04 -1.68 -1.41 117.51 119.30 3ctt h ILE 554 Ca 0.36 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3ctt h ILE 554 Cb 0.06 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3ctt h ILE 554 CO -0.11 0.09 -0.15 -0.65 0.00 0.00 0.00 178.15 177.33 3ctt h PRO 555 N -0.36 0.24 -0.46 2.37 0.11 -1.77 -1.94 132.00 130.18 3ctt h PRO 555 Ca -0.02 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3ctt h PRO 555 Cb 0.29 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 3ctt h PRO 555 CO 0.03 0.39 0.23 0.78 -0.21 0.00 0.00 178.00 179.23 3ctt h GLY 556 N 0.77 0.69 0.94 -0.55 0.00 -1.52 0.14 103.07 103.54 3ctt h GLY 556 Ca 0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3ctt h GLY 556 CO 0.02 0.32 -0.09 -2.08 0.00 0.00 0.00 176.54 174.71 3ctt h VAL 557 N 0.60 0.80 -0.86 4.60 2.07 -1.04 -2.51 116.25 119.91 3ctt h VAL 557 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.72 3ctt h VAL 557 Cb 0.09 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3ctt h VAL 557 CO -0.02 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.04 3ctt h LEU 558 N -0.22 0.88 -0.66 2.57 3.38 -1.16 -2.62 115.31 117.48 3ctt h LEU 558 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3ctt h LEU 558 Cb 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3ctt h LEU 558 CO 0.00 0.59 0.17 -0.33 0.09 0.00 0.00 178.44 178.96 3ctt h GLU 559 N 1.03 1.05 0.00 1.13 5.08 -0.68 -2.80 114.58 119.38 3ctt h GLU 559 Ca 0.35 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3ctt h GLU 559 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ctt h GLU 559 CO -0.14 0.94 -0.23 0.74 -1.00 0.00 0.00 179.01 179.32 3ctt h PHE 560 N 0.97 0.00 -0.59 4.33 -1.00 -1.17 -2.08 116.94 117.40 3ctt h PHE 560 Ca 0.21 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.90 3ctt h PHE 560 Cb 0.36 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3ctt h PHE 560 CO 0.03 0.23 0.04 -0.91 -1.61 0.00 0.00 178.31 176.08 3ctt h ASN 561 N 0.00 0.95 -0.51 2.17 2.35 -1.25 0.15 115.58 119.44 3ctt h ASN 561 Ca -0.00 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.48 3ctt h ASN 561 Cb 0.69 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 3ctt h ASN 561 CO 0.03 0.99 0.24 -0.07 -1.65 0.00 0.00 177.43 176.97 3ctt h LEU 562 N 0.92 0.69 -0.10 1.61 3.38 -1.15 -2.72 115.31 117.95 3ctt h LEU 562 Ca 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ctt h LEU 562 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ctt h LEU 562 CO 0.02 0.61 -0.00 0.49 0.09 0.00 0.00 178.44 179.65 3ctt n PHE 563 N -4.36 0.00 -1.68 1.13 3.72 -0.91 -4.89 117.46 110.47 3ctt n PHE 563 Ca 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3ctt n PHE 563 Cb 0.14 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3ctt n PHE 563 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ctt n GLY 564 N 1.03 0.38 2.55 1.37 0.00 -0.90 -4.51 105.19 105.11 3ctt n GLY 564 Ca 0.23 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 3ctt n GLY 564 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ctt n ILE 565 N -3.60 2.51 0.23 -0.61 5.41 0.46 -4.10 119.36 119.66 3ctt n ILE 565 Ca -0.03 -5.23 0.10 0.00 1.00 0.00 0.00 62.75 58.59 3ctt n ILE 565 Cb 0.36 -2.12 0.54 0.00 -0.71 0.00 0.00 39.64 37.71 3ctt n ILE 565 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3ctt h PRO 566 N 4.49 0.00 -5.72 0.38 0.13 -1.85 -3.35 132.00 126.08 3ctt h PRO 566 Ca 0.19 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.68 3ctt h PRO 566 Cb 0.67 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.68 3ctt h PRO 566 CO 0.86 0.22 1.35 1.41 -0.23 0.00 0.00 178.00 181.60 3ctt s MET 567 N -3.89 3.64 -0.10 0.86 1.75 -1.26 -4.62 119.30 115.68 3ctt s MET 567 Ca -0.01 -1.43 -0.10 0.00 -1.25 0.00 0.00 55.69 52.89 3ctt s MET 567 Cb 0.12 -5.23 0.03 0.00 2.84 0.00 0.00 34.83 32.58 3ctt s MET 567 CO 0.63 -2.07 0.28 0.54 -0.65 0.00 0.00 175.02 173.76 3ctt s VAL 568 N 4.11 0.01 0.20 10.11 0.11 -1.26 -1.26 120.40 132.43 3ctt s VAL 568 Ca 0.42 -0.07 -0.22 0.00 -2.93 0.00 0.00 61.98 59.18 3ctt s VAL 568 Cb -0.01 -0.43 0.07 0.00 -1.53 0.00 0.00 36.38 34.48 3ctt s VAL 568 CO -0.08 -0.04 0.97 -0.83 -3.33 0.00 0.00 175.10 171.79 3ctt s GLY 569 N -0.04 0.02 0.31 6.54 0.00 -1.20 -2.57 107.32 110.39 3ctt s GLY 569 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.45 3ctt s GLY 569 CO 0.01 1.09 0.43 -1.55 0.00 0.00 0.00 173.10 173.08 3ctt n PRO 570 N -0.59 0.01 -2.68 2.90 -0.04 -1.26 -1.74 135.00 131.60 3ctt n PRO 570 Ca -0.05 -0.93 -0.43 0.00 -0.04 0.00 0.00 63.50 62.05 3ctt n PRO 570 Cb 0.60 -0.36 -0.03 0.00 -0.04 0.00 0.00 33.50 33.67 3ctt n PRO 570 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ctt s ASP 571 N -2.66 6.49 0.27 3.54 1.01 -1.26 -4.41 116.67 119.64 3ctt s ASP 571 Ca 0.26 0.12 -0.30 0.00 0.71 0.00 0.00 52.55 53.34 3ctt s ASP 571 Cb -0.01 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 3ctt s ASP 571 CO 0.18 -1.29 1.49 -0.63 0.21 0.00 0.00 175.17 175.13 3ctt s ILE 572 N 4.41 2.46 0.00 0.77 1.01 -0.52 -1.51 121.20 127.82 3ctt s ILE 572 Ca 0.41 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3ctt s ILE 572 Cb -0.09 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3ctt s ILE 572 CO 0.26 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.26 3ctt n GLY 574 N -2.00 0.06 0.18 0.00 0.00 -0.57 -4.33 105.19 98.54 3ctt n GLY 574 Ca 0.00 -1.17 -0.07 0.00 0.00 0.00 0.00 46.02 44.78 3ctt n GLY 574 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ctt h PHE 575 N 0.00 -0.43 -3.76 1.61 3.57 -1.70 -3.40 116.94 112.83 3ctt h PHE 575 Ca 0.00 -0.01 -0.49 0.00 3.53 0.00 0.00 57.97 61.00 3ctt h PHE 575 Cb 0.00 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3ctt h PHE 575 CO 0.00 -0.27 0.28 0.00 -2.23 0.00 0.00 178.31 176.09 3ctt s ALA 576 N -4.02 3.30 0.00 2.41 0.00 -0.60 -1.43 121.76 121.42 3ctt s ALA 576 Ca -0.07 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3ctt s ALA 576 Cb 0.01 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3ctt s ALA 576 CO 0.20 0.22 0.00 1.28 0.00 0.00 0.00 175.76 177.47 3ctt n LEU 577 N 0.88 0.00 -4.73 0.00 4.32 -1.26 -0.81 117.00 115.39 3ctt n LEU 577 Ca -0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.57 3ctt n LEU 577 Cb 0.50 0.15 -0.03 0.00 -1.62 0.00 0.00 43.42 42.41 3ctt n LEU 577 CO 0.45 0.00 0.90 -1.81 -1.22 0.00 0.00 177.39 175.71 3ctt s ASP 578 N -2.13 7.06 -0.16 -1.43 1.01 -1.26 -4.71 116.67 115.05 3ctt s ASP 578 Ca 0.00 2.23 -0.16 0.00 0.71 0.00 0.00 52.55 55.33 3ctt s ASP 578 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3ctt s ASP 578 CO 0.00 -0.41 0.41 0.28 0.21 0.00 0.00 175.17 175.66 3ctt s THR 579 N 0.13 5.22 0.45 -1.27 -1.32 -1.26 -4.88 115.64 112.70 3ctt s THR 579 Ca 0.54 0.77 -0.25 0.00 -1.21 0.00 0.00 61.69 61.54 3ctt s THR 579 Cb -0.33 -3.74 -0.08 0.00 -1.51 0.00 0.00 72.50 66.84 3ctt s THR 579 CO 0.36 0.31 1.38 -2.84 -2.21 0.00 0.00 174.62 171.62 3ctt s PRO 580 N 0.84 3.73 0.29 7.08 0.02 -1.26 -4.85 135.00 140.85 3ctt s PRO 580 Ca 0.21 2.33 0.04 0.00 0.02 0.00 0.00 61.00 63.60 3ctt s PRO 580 Cb -0.14 -2.65 0.71 0.00 0.02 0.00 0.00 34.50 32.43 3ctt s PRO 580 CO 0.08 -0.75 1.72 1.49 -0.33 0.00 0.00 177.00 179.21 3ctt h GLU 581 N 2.36 0.50 -0.23 5.54 4.22 -1.99 -1.58 114.58 123.40 3ctt h GLU 581 Ca -0.50 -0.03 -0.17 0.00 0.08 0.00 0.00 59.36 58.74 3ctt h GLU 581 Cb 1.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3ctt h GLU 581 CO 0.61 0.33 -0.52 1.49 -2.18 0.00 0.00 179.01 178.74 3ctt h GLU 582 N 0.52 0.75 0.31 1.92 4.81 -1.99 -0.30 114.58 120.59 3ctt h GLU 582 Ca 0.55 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3ctt h GLU 582 Cb 0.98 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 3ctt h GLU 582 CO -0.47 1.13 -0.19 1.25 -0.73 0.00 0.00 179.01 180.00 3ctt h LEU 583 N 0.48 -0.47 -1.05 1.64 5.85 -1.88 -1.70 115.31 118.17 3ctt h LEU 583 Ca -0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3ctt h LEU 583 Cb 1.13 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3ctt h LEU 583 CO 0.11 -0.30 0.44 0.00 -0.34 0.00 0.00 178.44 178.35 3ctt h ARG 585 N 1.11 0.17 -0.38 0.00 2.43 -0.92 0.35 114.38 117.15 3ctt h ARG 585 Ca 0.28 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 3ctt h ARG 585 Cb 0.01 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3ctt h ARG 585 CO -0.05 0.11 -0.22 0.00 -1.51 0.00 0.00 179.97 178.31 3ctt h ARG 586 N 0.18 0.74 -0.58 0.20 2.47 -0.65 -1.54 114.38 115.20 3ctt h ARG 586 Ca 0.07 -0.29 -0.08 0.00 -1.26 0.00 0.00 59.98 58.42 3ctt h ARG 586 Cb 0.02 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3ctt h ARG 586 CO -0.05 0.89 0.04 2.35 0.56 0.00 0.00 179.97 183.76 3ctt h TRP 587 N 0.65 1.08 -0.37 3.04 2.91 0.13 -1.84 115.95 121.54 3ctt h TRP 587 Ca 0.09 -0.17 -0.10 0.00 1.13 0.00 0.00 58.89 59.84 3ctt h TRP 587 Cb 0.71 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 3ctt h TRP 587 CO 0.04 0.96 -0.19 0.52 -1.03 0.00 0.00 178.44 178.73 3ctt h MET 588 N 0.90 0.71 -0.16 2.65 2.86 -0.14 0.47 114.93 122.21 3ctt h MET 588 Ca 0.17 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3ctt h MET 588 Cb 0.50 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3ctt h MET 588 CO 0.02 0.85 0.06 1.96 1.06 0.00 0.00 176.91 180.86 3ctt h GLN 589 N 0.63 0.14 -0.30 1.72 4.20 -1.12 -2.14 115.11 118.24 3ctt h GLN 589 Ca 0.09 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3ctt h GLN 589 Cb 0.67 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3ctt h GLN 589 CO 0.05 0.09 0.08 1.25 -0.67 0.00 0.00 178.83 179.63 3ctt h LEU 590 N 0.15 0.45 -2.50 1.46 5.85 -1.30 -3.29 115.31 116.12 3ctt h LEU 590 Ca 0.06 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3ctt h LEU 590 Cb 0.03 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3ctt h LEU 590 CO -0.06 0.55 -0.02 1.23 -0.34 0.00 0.00 178.44 179.81 3ctt h GLY 591 N 0.32 0.00 2.00 3.75 0.00 0.13 0.07 103.07 109.34 3ctt h GLY 591 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3ctt h GLY 591 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3ctt n ALA 592 N -2.15 1.44 0.09 3.60 0.00 -0.82 -2.86 120.51 119.81 3ctt n ALA 592 Ca -0.02 0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.54 3ctt n ALA 592 Cb 0.14 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.33 3ctt n ALA 592 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ctt n PHE 593 N -2.09 0.14 -2.29 0.00 3.72 0.01 -4.67 117.46 112.28 3ctt n PHE 593 Ca 0.01 -0.25 -0.41 0.00 -0.05 0.00 0.00 57.45 56.76 3ctt n PHE 593 Cb 0.15 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 3ctt n PHE 593 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3ctt s TYR 594 N -0.77 3.31 0.43 1.38 2.02 -1.13 -4.93 117.35 117.66 3ctt s TYR 594 Ca 0.11 1.53 0.10 0.00 -0.37 0.00 0.00 57.07 58.43 3ctt s TYR 594 Cb 0.06 -3.49 0.94 0.00 -0.40 0.00 0.00 41.96 39.07 3ctt s TYR 594 CO 0.09 -1.25 2.04 -1.35 -1.57 0.00 0.00 175.55 173.50 3ctt h PRO 595 N 3.79 0.31 -4.94 -1.71 0.11 -1.82 -3.33 132.00 124.42 3ctt h PRO 595 Ca -0.47 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 64.94 3ctt h PRO 595 Cb 1.22 -0.06 -0.26 0.00 0.11 0.00 0.00 31.00 32.01 3ctt h PRO 595 CO 0.67 0.27 -0.67 0.12 -0.21 0.00 0.00 178.00 178.19 3ctt s PHE 596 N -5.16 3.04 -0.34 0.65 5.36 -1.06 -4.72 117.98 115.76 3ctt s PHE 596 Ca -0.07 -0.78 0.04 0.00 -0.96 0.00 0.00 56.93 55.16 3ctt s PHE 596 Cb 0.17 -2.18 0.10 0.00 -0.34 0.00 0.00 43.02 40.76 3ctt s PHE 596 CO 0.72 -0.49 0.05 0.45 -1.46 0.00 0.00 175.22 174.48 3ctt s SER 597 N 1.53 4.76 -0.05 6.13 0.15 -1.25 -3.70 113.70 121.27 3ctt s SER 597 Ca 0.05 -2.13 -0.01 0.00 0.70 0.00 0.00 55.95 54.56 3ctt s SER 597 Cb -0.15 -1.63 0.03 0.00 -1.71 0.00 0.00 66.02 62.56 3ctt s SER 597 CO 0.00 -0.37 0.02 -0.60 1.20 0.00 0.00 173.24 173.49 3ctt s ARG 598 N 0.91 0.26 -0.40 5.44 3.52 -1.26 -0.74 118.95 126.67 3ctt s ARG 598 Ca 0.10 0.19 -0.25 0.00 -0.13 0.00 0.00 55.73 55.64 3ctt s ARG 598 Cb -0.19 -0.63 0.02 0.00 -1.56 0.00 0.00 34.95 32.59 3ctt s ARG 598 CO -0.08 -0.25 0.89 1.21 -0.81 0.00 0.00 175.30 176.26 3ctt s ASN 599 N 1.69 6.58 0.11 -2.12 3.84 -0.86 -1.44 114.94 122.73 3ctt s ASN 599 Ca -0.00 0.34 0.06 0.00 0.21 0.00 0.00 52.86 53.47 3ctt s ASN 599 Cb -0.13 -2.44 -0.03 0.00 -0.55 0.00 0.00 41.25 38.10 3ctt s ASN 599 CO -0.03 -0.90 -0.14 -2.28 -2.79 0.00 0.00 177.10 170.95 3ctt s HIS 600 N 3.50 1.37 -0.01 0.43 2.46 -1.24 -1.51 115.29 120.29 3ctt s HIS 600 Ca 0.36 -0.52 -0.02 0.00 0.47 0.00 0.00 55.06 55.35 3ctt s HIS 600 Cb -0.12 -0.73 -0.00 0.00 -0.13 0.00 0.00 32.58 31.60 3ctt s HIS 600 CO 0.21 0.12 0.04 1.21 -2.47 0.00 0.00 174.74 173.86 3ctt s ASN 601 N -2.21 0.04 0.95 9.88 2.47 -1.25 -4.09 114.94 120.74 3ctt s ASN 601 Ca 0.05 -0.12 -0.15 0.00 0.42 0.00 0.00 52.86 53.07 3ctt s ASN 601 Cb -0.07 0.13 0.20 0.00 -1.45 0.00 0.00 41.25 40.06 3ctt s ASN 601 CO 0.03 -0.16 1.30 -0.83 -3.72 0.00 0.00 177.10 173.72 3ctt s GLY 602 N -0.65 1.79 0.15 1.21 0.00 -0.52 -0.09 107.32 109.21 3ctt s GLY 602 Ca -0.07 -1.31 -0.31 0.00 0.00 0.00 0.00 44.72 43.03 3ctt s GLY 602 CO -0.00 -0.53 1.32 1.62 0.00 0.00 0.00 173.10 175.50 3ctt s GLN 603 N -5.84 4.38 0.00 2.90 0.74 -1.25 -3.57 119.66 117.02 3ctt s GLN 603 Ca 0.74 2.02 0.00 0.00 0.05 0.00 0.00 55.36 58.17 3ctt s GLN 603 Cb -0.03 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.84 3ctt s GLN 603 CO 0.52 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.37 3ctt n GLY 604 N 2.83 2.68 3.87 2.59 0.00 -1.26 -5.01 105.19 110.88 3ctt n GLY 604 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3ctt n GLY 604 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ctt s TYR 605 N -2.18 3.42 0.74 1.61 2.02 -1.23 -5.00 117.35 116.73 3ctt s TYR 605 Ca 0.00 1.19 -0.15 0.00 -0.37 0.00 0.00 57.07 57.74 3ctt s TYR 605 Cb 0.00 -2.90 0.04 0.00 -0.40 0.00 0.00 41.96 38.70 3ctt s TYR 605 CO 0.00 -0.99 1.18 0.36 -1.57 0.00 0.00 175.55 174.53 3ctt n LYS 606 N -2.92 0.54 -1.76 -0.62 2.85 -1.26 -4.90 118.16 110.09 3ctt n LYS 606 Ca 0.07 0.25 -0.41 0.00 -1.05 0.00 0.00 58.31 57.17 3ctt n LYS 606 Cb 0.55 -2.42 0.01 0.00 -0.65 0.00 0.00 35.03 32.52 3ctt n LYS 606 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3ctt n ASP 607 N -2.52 3.39 -0.01 -5.58 8.00 -1.26 -4.81 116.55 113.75 3ctt n ASP 607 Ca 0.14 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.81 3ctt n ASP 607 Cb 0.49 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 3ctt n ASP 607 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ctt n GLN 608 N 0.15 0.82 -1.92 -1.24 10.64 -1.26 -4.92 117.38 119.65 3ctt n GLN 608 Ca 0.04 -0.80 -0.41 0.00 -1.83 0.00 0.00 57.00 54.00 3ctt n GLN 608 Cb 0.40 -0.64 -0.00 0.00 -0.86 0.00 0.00 30.24 29.13 3ctt n GLN 608 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.06 175.39 3ctt s ASP 609 N -0.32 6.40 0.25 2.61 -4.77 -1.26 -4.92 116.67 114.67 3ctt s ASP 609 Ca 0.00 2.88 -0.05 0.00 -3.30 0.00 0.00 52.55 52.08 3ctt s ASP 609 Cb 0.00 -2.66 0.47 0.00 -1.09 0.00 0.00 42.92 39.65 3ctt s ASP 609 CO 0.00 -0.81 1.65 -0.65 0.70 0.00 0.00 175.17 176.06 3ctt h PRO 610 N 2.98 0.16 0.00 2.11 0.11 -1.97 -1.14 132.00 134.25 3ctt h PRO 610 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ctt h PRO 610 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ctt h PRO 610 CO 0.64 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 3ctt n ALA 611 N -2.82 2.09 0.58 -0.75 0.00 -1.26 -2.89 120.51 115.46 3ctt n ALA 611 Ca 0.14 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.61 3ctt n ALA 611 Cb 0.49 -1.34 0.43 0.00 0.00 0.00 0.00 19.45 19.04 3ctt n ALA 611 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ctt n SER 612 N -1.29 0.74 -0.06 0.00 3.41 -0.43 -3.04 113.62 112.96 3ctt n SER 612 Ca 0.10 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 3ctt n SER 612 Cb 0.17 -0.78 0.46 0.00 -0.26 0.00 0.00 64.21 63.80 3ctt n SER 612 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3ctt n PHE 613 N -2.22 0.00 0.00 7.33 3.72 -1.14 -4.98 117.46 120.17 3ctt n PHE 613 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3ctt n PHE 613 Cb 0.38 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 3ctt n PHE 613 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ctt n GLY 614 N 1.42 4.12 0.35 1.37 0.00 -1.17 -4.54 105.19 106.75 3ctt n GLY 614 Ca 0.09 -1.22 0.18 0.00 0.00 0.00 0.00 46.02 45.07 3ctt n GLY 614 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ctt h ALA 615 N 0.00 1.84 -0.05 4.61 0.00 -1.94 -1.08 119.26 122.64 3ctt h ALA 615 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ctt h ALA 615 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ctt h ALA 615 CO 0.00 -0.40 0.00 -0.25 0.00 0.00 0.00 179.25 178.60 3ctt n ASP 616 N -3.68 2.22 -4.76 0.00 10.43 -1.26 -4.90 116.55 114.60 3ctt n ASP 616 Ca 0.03 -2.20 -0.34 0.00 2.57 0.00 0.00 54.79 54.85 3ctt n ASP 616 Cb 0.41 -0.11 0.05 0.00 1.84 0.00 0.00 41.12 43.31 3ctt n ASP 616 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3ctt s SER 617 N -1.32 5.06 0.42 -2.24 1.04 -0.41 -4.88 113.70 111.37 3ctt s SER 617 Ca 0.09 2.12 0.08 0.00 0.48 0.00 0.00 55.95 58.72 3ctt s SER 617 Cb 0.07 -2.57 0.91 0.00 0.10 0.00 0.00 66.02 64.53 3ctt s SER 617 CO 0.03 -1.67 2.07 0.25 0.98 0.00 0.00 173.24 174.90 3ctt h LEU 618 N 0.23 0.42 -0.25 2.42 5.85 -1.91 -2.17 115.31 119.90 3ctt h LEU 618 Ca -0.48 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 3ctt h LEU 618 Cb 1.26 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3ctt h LEU 618 CO 0.54 0.30 -0.15 0.25 -0.34 0.00 0.00 178.44 179.04 3ctt h LEU 619 N 0.49 0.57 -0.14 2.25 6.46 -1.93 -0.39 115.31 122.62 3ctt h LEU 619 Ca 0.13 -0.43 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 3ctt h LEU 619 Cb -0.05 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 3ctt h LEU 619 CO -0.03 0.87 -0.01 0.25 -0.62 0.00 0.00 178.44 178.91 3ctt h LEU 620 N 0.27 0.25 -0.08 2.25 5.85 -1.71 0.80 115.31 122.95 3ctt h LEU 620 Ca 0.05 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3ctt h LEU 620 Cb 0.67 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 3ctt h LEU 620 CO 0.04 0.51 -0.20 0.78 -0.34 0.00 0.00 178.44 179.24 3ctt h ASN 621 N -0.01 -0.60 -0.57 1.25 2.35 -1.42 0.36 115.58 116.93 3ctt h ASN 621 Ca 0.04 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3ctt h ASN 621 Cb 0.39 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 3ctt h ASN 621 CO 0.01 -0.26 0.30 -1.28 -1.65 0.00 0.00 177.43 174.56 3ctt h SER 622 N -0.28 0.71 -0.29 5.81 0.87 -1.06 -0.76 113.55 118.55 3ctt h SER 622 Ca 0.08 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3ctt h SER 622 Cb 0.40 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3ctt h SER 622 CO -0.24 0.61 0.12 0.28 -0.53 0.00 0.00 176.83 177.06 3ctt h SER 623 N 0.76 0.14 -0.43 6.23 0.02 -0.58 -1.22 113.55 118.48 3ctt h SER 623 Ca 0.20 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3ctt h SER 623 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3ctt h SER 623 CO -0.03 0.12 0.18 -0.09 -1.14 0.00 0.00 176.83 175.86 3ctt h ARG 624 N 0.25 0.63 0.01 3.45 2.43 -0.83 -0.48 114.38 119.84 3ctt h ARG 624 Ca 0.13 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3ctt h ARG 624 Cb 0.08 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 3ctt h ARG 624 CO -0.12 0.58 -0.30 1.25 -1.51 0.00 0.00 179.97 179.88 3ctt h HIS 625 N 0.54 -0.81 0.00 2.20 2.76 -0.69 0.41 115.15 119.57 3ctt h HIS 625 Ca 0.14 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.23 3ctt h HIS 625 Cb 0.18 0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 3ctt h HIS 625 CO -0.00 -0.39 -0.51 1.88 -1.30 0.00 0.00 177.93 177.61 3ctt h TYR 626 N -0.45 0.00 -0.04 5.26 -1.99 -1.20 -1.97 116.97 116.58 3ctt h TYR 626 Ca 0.06 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.68 3ctt h TYR 626 Cb 0.53 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 3ctt h TYR 626 CO -0.32 0.51 -0.49 -0.07 -0.00 0.00 0.00 178.16 177.79 3ctt h LEU 627 N 0.00 0.12 -0.88 3.88 3.38 -0.96 0.11 115.31 120.96 3ctt h LEU 627 Ca -0.01 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3ctt h LEU 627 Cb 1.23 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3ctt h LEU 627 CO 0.07 0.59 -0.55 0.78 0.09 0.00 0.00 178.44 179.41 3ctt h ASN 628 N 0.09 0.02 -0.16 -0.43 -0.26 -0.20 -1.08 115.58 113.55 3ctt h ASN 628 Ca 0.00 -0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 3ctt h ASN 628 Cb 0.90 -0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.15 3ctt h ASN 628 CO 0.07 0.57 -0.11 0.40 -1.06 0.00 0.00 177.43 177.29 3ctt h ILE 629 N 0.01 1.33 -0.42 2.81 2.04 -1.09 -0.59 117.51 121.60 3ctt h ILE 629 Ca -0.01 -1.21 0.09 0.00 1.00 0.00 0.00 64.86 64.73 3ctt h ILE 629 Cb 0.98 1.78 -0.08 0.00 -0.74 0.00 0.00 36.82 38.76 3ctt h ILE 629 CO 0.07 0.36 -0.13 -0.09 0.00 0.00 0.00 178.15 178.36 3ctt h ARG 630 N 0.01 -0.03 -0.67 2.37 2.43 -0.79 -2.16 114.38 115.54 3ctt h ARG 630 Ca 0.03 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3ctt h ARG 630 Cb 0.62 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 3ctt h ARG 630 CO 0.03 -0.02 0.16 1.88 -1.51 0.00 0.00 179.97 180.51 3ctt h TYR 631 N -0.03 1.12 -0.92 2.20 -1.99 -1.12 -1.36 116.97 114.86 3ctt h TYR 631 Ca 0.20 -0.13 0.14 0.00 2.00 0.00 0.00 58.73 60.95 3ctt h TYR 631 Cb 0.35 -0.32 -0.08 0.00 2.00 0.00 0.00 36.73 38.68 3ctt h TYR 631 CO -0.39 0.91 0.59 1.15 -0.00 0.00 0.00 178.16 180.42 3ctt h THR 632 N 1.01 0.84 -0.64 -2.88 2.02 -0.77 -2.41 112.91 110.08 3ctt h THR 632 Ca 0.21 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3ctt h THR 632 Cb 0.36 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3ctt h THR 632 CO 0.00 0.14 0.00 0.18 0.37 0.00 0.00 175.52 176.21 3ctt n LEU 633 N -4.58 4.20 -0.24 2.58 4.77 -0.58 -1.88 117.00 121.26 3ctt n LEU 633 Ca 0.18 -2.11 -0.00 0.00 -0.03 0.00 0.00 56.01 54.05 3ctt n LEU 633 Cb 0.46 -0.52 0.22 0.00 -2.33 0.00 0.00 43.42 41.24 3ctt n LEU 633 CO 0.28 0.82 1.24 -0.07 -1.33 0.00 0.00 177.39 178.34 3ctt h LEU 634 N 3.92 0.91 -1.26 2.23 3.38 -0.86 -0.60 115.31 123.03 3ctt h LEU 634 Ca 0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ctt h LEU 634 Cb 1.21 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 3ctt h LEU 634 CO 0.14 0.67 0.50 -0.65 0.09 0.00 0.00 178.44 179.19 3ctt h PRO 635 N 1.07 0.99 0.41 1.13 0.11 -1.77 0.19 132.00 134.13 3ctt h PRO 635 Ca 0.29 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 3ctt h PRO 635 Cb -0.11 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 30.78 3ctt h PRO 635 CO -0.06 0.66 -0.20 -0.92 -0.21 0.00 0.00 178.00 177.27 3ctt h TYR 636 N 1.02 -0.51 -0.72 0.65 3.20 -1.32 -2.15 116.97 117.14 3ctt h TYR 636 Ca 0.28 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.22 3ctt h TYR 636 Cb -0.12 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 3ctt h TYR 636 CO -0.00 -0.30 0.37 1.25 -1.64 0.00 0.00 178.16 177.84 3ctt h LEU 637 N -0.58 0.51 -0.75 2.82 5.85 -0.91 -2.30 115.31 119.94 3ctt h LEU 637 Ca -0.06 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3ctt h LEU 637 Cb 0.44 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3ctt h LEU 637 CO 0.09 0.30 0.16 0.22 -0.34 0.00 0.00 178.44 178.87 3ctt h TYR 638 N 0.64 1.15 -0.70 1.25 3.20 -0.63 -1.46 116.97 120.42 3ctt h TYR 638 Ca 0.35 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 3ctt h TYR 638 Cb 0.34 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3ctt h TYR 638 CO -0.10 0.94 0.27 1.15 -1.64 0.00 0.00 178.16 178.79 3ctt h THR 639 N 1.04 1.24 -0.86 1.81 2.02 -1.14 0.47 112.91 117.49 3ctt h THR 639 Ca 0.22 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3ctt h THR 639 Cb 0.38 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3ctt h THR 639 CO 0.00 0.31 0.51 -0.07 0.37 0.00 0.00 175.52 176.64 3ctt h LEU 640 N 1.02 1.05 -1.07 2.58 3.38 -0.90 0.17 115.31 121.54 3ctt h LEU 640 Ca 0.24 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3ctt h LEU 640 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ctt h LEU 640 CO -0.02 0.82 -0.14 -0.26 0.09 0.00 0.00 178.44 178.93 3ctt h PHE 641 N 1.19 0.54 -0.56 1.13 0.04 -0.87 -0.06 116.94 118.36 3ctt h PHE 641 Ca 0.31 -0.09 -0.08 0.00 2.80 0.00 0.00 57.97 60.92 3ctt h PHE 641 Cb -0.03 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 3ctt h PHE 641 CO 0.00 0.62 0.04 0.35 -0.60 0.00 0.00 178.31 178.73 3ctt h PHE 642 N 0.46 0.99 -0.08 -0.55 3.57 0.12 -0.11 116.94 121.35 3ctt h PHE 642 Ca 0.08 -0.14 -0.18 0.00 3.53 0.00 0.00 57.97 61.26 3ctt h PHE 642 Cb 0.51 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3ctt h PHE 642 CO 0.02 0.87 -0.73 0.00 -2.23 0.00 0.00 178.31 176.24 3ctt h ARG 643 N 0.87 0.42 -0.41 1.11 2.47 -0.62 -0.24 114.38 117.97 3ctt h ARG 643 Ca 0.17 -0.34 -0.02 0.00 -1.26 0.00 0.00 59.98 58.54 3ctt h ARG 643 Cb 0.45 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 3ctt h ARG 643 CO 0.02 0.98 0.19 0.00 0.56 0.00 0.00 179.97 181.72 3ctt h ALA 644 N 0.93 0.53 -0.60 0.04 0.00 -0.75 -0.73 119.26 118.67 3ctt h ALA 644 Ca -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3ctt h ALA 644 Cb 1.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3ctt h ALA 644 CO 0.13 0.09 0.19 1.25 0.00 0.00 0.00 179.25 180.90 3ctt h HIS 645 N 0.52 0.97 0.00 0.00 -0.00 -0.92 -2.49 115.15 113.22 3ctt h HIS 645 Ca 0.14 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3ctt h HIS 645 Cb 0.12 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.25 3ctt h HIS 645 CO -0.01 0.80 -1.44 -1.13 -0.00 0.00 0.00 177.93 176.14 3ctt n SER 646 N -4.40 0.48 0.00 3.26 3.41 -0.11 -4.65 113.62 111.61 3ctt n SER 646 Ca 0.03 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3ctt n SER 646 Cb 0.21 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.28 3ctt n SER 646 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3ctt n ARG 647 N -2.50 1.26 0.00 4.33 0.63 -0.40 -5.06 116.66 114.92 3ctt n ARG 647 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 3ctt n ARG 647 Cb 0.56 -0.63 0.00 0.00 0.45 0.00 0.00 32.46 32.84 3ctt n ARG 647 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ctt n GLY 648 N 1.12 1.20 3.77 5.14 0.00 -0.52 -4.71 105.19 111.19 3ctt n GLY 648 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3ctt n GLY 648 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ctt s ASP 649 N -2.00 5.43 0.84 1.61 1.11 -1.18 -3.49 116.67 119.00 3ctt s ASP 649 Ca 0.00 2.12 -0.11 0.00 0.18 0.00 0.00 52.55 54.74 3ctt s ASP 649 Cb 0.00 -2.57 0.10 0.00 1.07 0.00 0.00 42.92 41.52 3ctt s ASP 649 CO 0.00 -1.42 1.09 0.42 1.18 0.00 0.00 175.17 176.45 3ctt s THR 650 N -1.99 2.94 -0.02 -1.27 -4.23 -1.26 -3.87 115.64 105.93 3ctt s THR 650 Ca 0.71 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 61.49 3ctt s THR 650 Cb -0.23 -2.79 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 3ctt s THR 650 CO 0.33 -0.40 -0.06 0.52 -0.54 0.00 0.00 174.62 174.48 3ctt n VAL 651 N -3.73 0.37 -2.63 2.29 0.31 -1.26 -4.69 118.33 108.99 3ctt n VAL 651 Ca 0.08 0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 64.28 3ctt n VAL 651 Cb 0.54 -1.52 -0.03 0.00 -0.91 0.00 0.00 33.84 31.93 3ctt n VAL 651 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ctt s ALA 652 N -2.63 3.45 -0.02 3.52 0.00 -1.26 -0.04 121.76 124.78 3ctt s ALA 652 Ca -0.05 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.38 3ctt s ALA 652 Cb 0.01 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3ctt s ALA 652 CO 0.07 -0.68 -0.15 0.50 0.00 0.00 0.00 175.76 175.50 3ctt s ARG 653 N 2.16 1.33 0.49 0.00 3.52 0.15 -4.78 118.95 121.81 3ctt s ARG 653 Ca 0.50 -0.53 -0.23 0.00 -0.13 0.00 0.00 55.73 55.34 3ctt s ARG 653 Cb -0.20 -1.24 -0.07 0.00 -1.56 0.00 0.00 34.95 31.89 3ctt s ARG 653 CO 0.18 0.28 1.27 -2.14 -0.81 0.00 0.00 175.30 174.09 3ctt s PRO 654 N -0.20 3.53 0.38 5.12 0.02 -1.26 -0.38 135.00 142.21 3ctt s PRO 654 Ca 0.03 2.04 0.13 0.00 0.02 0.00 0.00 61.00 63.22 3ctt s PRO 654 Cb -0.08 -2.41 0.96 0.00 0.02 0.00 0.00 34.50 33.00 3ctt s PRO 654 CO 0.00 -0.82 1.83 -0.07 -0.33 0.00 0.00 177.00 177.61 3ctt h LEU 655 N 1.91 0.54 -1.81 -5.54 4.07 -1.85 -2.38 115.31 110.24 3ctt h LEU 655 Ca -0.50 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.52 3ctt h LEU 655 Cb 1.27 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.97 3ctt h LEU 655 CO 0.59 0.21 0.00 0.17 -1.08 0.00 0.00 178.44 178.33 3ctt h LEU 656 N 0.54 0.00 -0.93 1.67 8.10 -1.87 0.09 115.31 122.91 3ctt h LEU 656 Ca 0.51 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.45 3ctt h LEU 656 Cb 1.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.29 3ctt h LEU 656 CO -0.24 0.00 -0.21 0.45 -4.11 0.00 0.00 178.44 174.33 3ctt h HIS 657 N 0.00 0.00 0.00 0.17 3.86 -1.80 -0.69 115.15 116.69 3ctt h HIS 657 Ca 0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 3ctt h HIS 657 Cb 0.34 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.77 3ctt h HIS 657 CO 0.00 0.21 -2.10 0.39 0.86 0.00 0.00 177.93 177.29 3ctt n GLU 658 N -3.31 1.04 -1.45 2.45 -0.58 -0.78 -4.69 120.64 113.33 3ctt n GLU 658 Ca 0.01 -0.05 -0.02 0.00 -0.42 0.00 0.00 57.16 56.68 3ctt n GLU 658 Cb 0.46 -1.44 0.10 0.00 -0.57 0.00 0.00 31.44 29.99 3ctt n GLU 658 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3ctt n PHE 659 N -2.52 0.79 0.32 -0.32 3.72 -0.05 -4.84 117.46 114.56 3ctt n PHE 659 Ca -0.22 -1.50 0.20 0.00 -0.05 0.00 0.00 57.45 55.88 3ctt n PHE 659 Cb 0.92 -0.24 1.05 0.00 -0.94 0.00 0.00 39.48 40.27 3ctt n PHE 659 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3ctt h TYR 660 N 1.49 0.00 0.00 1.38 -0.00 -1.33 0.14 116.97 118.64 3ctt h TYR 660 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.74 3ctt h TYR 660 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.11 3ctt h TYR 660 CO 0.60 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.69 3ctt h GLU 661 N 0.00 0.00 -4.27 0.10 5.08 -1.85 -3.40 114.58 110.24 3ctt h GLU 661 Ca 0.01 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.65 3ctt h GLU 661 Cb 0.23 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.17 3ctt h GLU 661 CO -0.00 0.00 -0.41 0.34 -1.00 0.00 0.00 179.01 177.94 3ctt s ASP 662 N -4.76 5.58 0.64 1.42 -1.08 0.48 -4.89 116.67 114.06 3ctt s ASP 662 Ca 0.02 -2.06 0.36 0.00 -0.52 0.00 0.00 52.55 50.36 3ctt s ASP 662 Cb 0.09 -1.96 2.03 0.00 -1.46 0.00 0.00 42.92 41.63 3ctt s ASP 662 CO 0.43 -0.62 2.21 -0.55 0.52 0.00 0.00 175.17 177.16 3ctt h ASN 663 N 8.20 0.00 0.29 -0.34 -1.07 -1.81 -0.54 115.58 120.30 3ctt h ASN 663 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.21 3ctt h ASN 663 Cb 1.05 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.30 3ctt h ASN 663 CO 0.80 0.00 0.00 0.28 0.07 0.00 0.00 177.43 178.58 3ctt h SER 664 N 0.00 0.00 0.22 6.14 0.02 -1.93 -2.00 113.55 116.00 3ctt h SER 664 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3ctt h SER 664 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3ctt h SER 664 CO -0.00 0.00 -0.60 0.35 -1.14 0.00 0.00 176.83 175.44 3ctt n THR 665 N -2.32 0.00 0.24 -2.27 -2.24 -0.21 -4.52 114.28 102.96 3ctt n THR 665 Ca -0.00 -0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.82 3ctt n THR 665 Cb 0.11 0.66 0.62 0.00 -2.10 0.00 0.00 70.33 69.62 3ctt n THR 665 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 3ctt h TRP 666 N 0.59 0.00 0.00 4.78 6.55 -1.51 -2.83 115.95 123.54 3ctt h TRP 666 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3ctt h TRP 666 Cb 0.54 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.84 3ctt h TRP 666 CO 0.00 0.18 -0.01 -0.40 -1.05 0.00 0.00 178.44 177.16 3ctt n ASP 667 N -3.69 2.06 -4.68 -3.49 5.68 -1.26 -4.62 116.55 106.56 3ctt n ASP 667 Ca -0.01 -2.41 -0.42 0.00 -0.50 0.00 0.00 54.79 51.44 3ctt n ASP 667 Cb 0.30 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 40.08 3ctt n ASP 667 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3ctt s VAL 668 N -1.70 3.75 0.00 2.12 1.01 -1.07 -4.72 120.40 119.79 3ctt s VAL 668 Ca 0.13 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3ctt s VAL 668 Cb 0.11 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3ctt s VAL 668 CO 0.01 -0.03 0.36 0.00 0.00 0.00 0.00 175.10 175.44 3ctt n HIS 669 N 5.86 0.00 0.76 5.22 1.44 -1.26 -4.75 115.22 122.49 3ctt n HIS 669 Ca 0.14 -0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.93 3ctt n HIS 669 Cb 0.44 -0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.58 3ctt n HIS 669 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3ctt n GLN 670 N -0.00 1.57 -4.18 -1.40 6.02 -1.26 -4.43 117.38 113.69 3ctt n GLN 670 Ca 0.00 -1.18 -0.12 0.00 -0.01 0.00 0.00 57.00 55.69 3ctt n GLN 670 Cb 0.42 -1.33 -0.10 0.00 1.02 0.00 0.00 30.24 30.25 3ctt n GLN 670 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ctt s GLN 671 N -1.78 0.88 0.28 -1.09 -0.21 -1.26 -4.26 119.66 112.21 3ctt s GLN 671 Ca 0.17 -1.32 -0.11 0.00 0.02 0.00 0.00 55.36 54.13 3ctt s GLN 671 Cb 0.14 -0.33 0.00 0.00 1.00 0.00 0.00 33.01 33.82 3ctt s GLN 671 CO 0.34 0.02 0.50 -0.59 -2.12 0.00 0.00 175.29 173.43 3ctt s PHE 672 N -3.36 0.51 0.10 0.91 -0.12 -1.08 -4.71 117.98 110.23 3ctt s PHE 672 Ca 0.11 -0.87 0.06 0.00 -0.05 0.00 0.00 56.93 56.19 3ctt s PHE 672 Cb 0.03 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 3ctt s PHE 672 CO -0.03 -1.07 -0.03 -0.51 -0.05 0.00 0.00 175.22 173.53 3ctt s LEU 673 N -3.07 3.33 -0.37 -1.99 1.43 0.49 -1.06 118.68 117.44 3ctt s LEU 673 Ca 0.24 -0.25 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 3ctt s LEU 673 Cb -0.01 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.14 3ctt s LEU 673 CO 0.12 0.17 0.79 0.26 0.23 0.00 0.00 176.35 177.92 3ctt s TRP 674 N -1.30 3.10 0.00 0.29 0.52 0.04 -0.68 118.94 120.91 3ctt s TRP 674 Ca 0.24 0.52 0.00 0.00 0.02 0.00 0.00 56.10 56.89 3ctt s TRP 674 Cb -0.11 -3.44 0.00 0.00 -1.15 0.00 0.00 33.47 28.77 3ctt s TRP 674 CO 0.17 -0.76 0.00 0.41 0.02 0.00 0.00 176.95 176.79 3ctt n GLY 675 N 4.57 0.93 0.13 0.98 0.00 0.94 -3.12 105.19 109.62 3ctt n GLY 675 Ca 0.03 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.53 3ctt n GLY 675 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ctt h PRO 676 N 0.00 0.00 0.00 1.61 0.13 -1.93 -3.42 132.00 128.39 3ctt h PRO 676 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ctt h PRO 676 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ctt h PRO 676 CO 0.00 0.00 -0.09 0.41 -0.23 0.00 0.00 178.00 178.09 3ctt n GLY 677 N 1.27 0.90 3.21 1.56 0.00 -1.19 -4.91 105.19 106.03 3ctt n GLY 677 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3ctt n GLY 677 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ctt s LEU 678 N -1.91 3.22 -0.25 0.99 2.96 -1.18 -0.13 118.68 122.38 3ctt s LEU 678 Ca 0.00 -0.85 -0.14 0.00 -0.22 0.00 0.00 54.13 52.92 3ctt s LEU 678 Cb 0.00 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3ctt s LEU 678 CO 0.00 -0.13 0.35 -0.22 -1.32 0.00 0.00 176.35 175.03 3ctt s LEU 679 N 1.34 4.07 -0.23 -0.68 2.96 -0.03 -0.78 118.68 125.33 3ctt s LEU 679 Ca 0.00 0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.17 3ctt s LEU 679 Cb -0.17 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 3ctt s LEU 679 CO -0.04 -0.13 0.02 -0.63 -1.32 0.00 0.00 176.35 174.25 3ctt s ILE 680 N 1.78 3.90 -0.51 6.68 1.01 -0.22 -1.35 121.20 132.48 3ctt s ILE 680 Ca 0.15 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.52 3ctt s ILE 680 Cb -0.15 -2.79 0.13 0.00 0.01 0.00 0.00 42.46 39.66 3ctt s ILE 680 CO 0.09 0.39 0.27 -0.89 0.00 0.00 0.00 174.94 174.80 3ctt s THR 681 N 1.45 2.28 0.47 2.92 2.01 0.24 -2.62 115.64 122.39 3ctt s THR 681 Ca 0.05 -3.19 -0.20 0.00 0.31 0.00 0.00 61.69 58.66 3ctt s THR 681 Cb -0.15 -2.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.69 3ctt s THR 681 CO 0.01 -0.84 1.02 -2.16 -0.69 0.00 0.00 174.62 171.95 3ctt s PRO 682 N -0.21 3.90 -0.10 4.92 0.04 -1.26 -0.87 135.00 141.42 3ctt s PRO 682 Ca 0.18 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 3ctt s PRO 682 Cb -0.24 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 3ctt s PRO 682 CO -0.01 -0.33 1.02 0.08 0.04 0.00 0.00 177.00 177.80 3ctt s VAL 683 N -2.02 4.74 0.00 -0.36 1.01 -1.26 -4.92 120.40 117.59 3ctt s VAL 683 Ca 0.66 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.65 3ctt s VAL 683 Cb -0.15 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.94 3ctt s VAL 683 CO 0.18 0.00 0.53 0.18 0.00 0.00 0.00 175.10 175.99 3ctt n LEU 684 N 5.03 1.06 -4.31 3.92 4.77 -1.26 -4.90 117.00 121.31 3ctt n LEU 684 Ca 0.09 -1.06 -0.32 0.00 -0.03 0.00 0.00 56.01 54.69 3ctt n LEU 684 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.42 3ctt n LEU 684 CO 0.52 0.26 -0.51 -1.81 -1.33 0.00 0.00 177.39 174.52 3ctt s ASP 685 N -0.07 3.47 0.17 -1.43 1.01 -1.26 -4.76 116.67 113.80 3ctt s ASP 685 Ca 0.00 -0.44 -0.33 0.00 0.71 0.00 0.00 52.55 52.49 3ctt s ASP 685 Cb 0.00 -1.27 -0.13 0.00 1.01 0.00 0.00 42.92 42.52 3ctt s ASP 685 CO 0.00 0.20 1.62 1.21 0.21 0.00 0.00 175.17 178.41 3ctt n GLU 686 N 3.25 2.33 -0.28 8.23 2.13 -1.26 -1.88 120.64 133.16 3ctt n GLU 686 Ca -0.18 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.48 3ctt n GLU 686 Cb 0.53 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.60 3ctt n GLU 686 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ctt n GLY 687 N 3.58 1.26 3.77 8.31 0.00 -1.26 -5.02 105.19 115.83 3ctt n GLY 687 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3ctt n GLY 687 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ctt s ALA 688 N -2.85 3.42 -0.13 4.61 0.00 -0.79 -4.95 121.76 121.06 3ctt s ALA 688 Ca 0.00 0.38 0.16 0.00 0.00 0.00 0.00 51.96 52.49 3ctt s ALA 688 Cb 0.00 -3.00 0.40 0.00 0.00 0.00 0.00 23.12 20.52 3ctt s ALA 688 CO 0.00 0.23 1.19 0.39 0.00 0.00 0.00 175.76 177.57 3ctt n GLU 689 N 1.88 1.03 -3.76 0.00 1.02 -1.26 -4.81 120.64 114.73 3ctt n GLU 689 Ca -0.04 -2.78 -0.13 0.00 -0.02 0.00 0.00 57.16 54.19 3ctt n GLU 689 Cb 0.49 -1.08 -0.09 0.00 -0.02 0.00 0.00 31.44 30.75 3ctt n GLU 689 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ctt s LYS 690 N -2.11 0.65 -0.03 3.49 1.02 -1.25 -0.56 119.74 120.96 3ctt s LYS 690 Ca 0.35 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 56.19 3ctt s LYS 690 Cb 0.36 0.29 0.01 0.00 -0.52 0.00 0.00 37.83 37.96 3ctt s LYS 690 CO -0.09 -0.18 -0.07 0.54 -0.92 0.00 0.00 175.35 174.63 3ctt s VAL 691 N -1.26 0.66 -0.40 3.17 0.11 0.13 -4.84 120.40 117.96 3ctt s VAL 691 Ca -0.13 -0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 58.35 3ctt s VAL 691 Cb -0.05 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 3ctt s VAL 691 CO 0.04 0.22 1.15 -0.04 -3.33 0.00 0.00 175.10 173.14 3ctt s MET 692 N 0.31 3.85 0.12 1.54 -1.94 -1.26 0.15 119.30 122.07 3ctt s MET 692 Ca -0.04 0.83 0.06 0.00 -1.71 0.00 0.00 55.69 54.83 3ctt s MET 692 Cb -0.09 -3.85 -0.04 0.00 2.01 0.00 0.00 34.83 32.86 3ctt s MET 692 CO 0.00 -1.20 -0.15 0.00 -0.01 0.00 0.00 175.02 173.66 3ctt s ALA 693 N 4.23 1.55 -0.23 3.03 0.00 0.43 -4.96 121.76 125.81 3ctt s ALA 693 Ca 0.49 -1.27 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 3ctt s ALA 693 Cb -0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3ctt s ALA 693 CO 0.25 0.16 0.15 -0.47 0.00 0.00 0.00 175.76 175.86 3ctt s TYR 694 N -1.87 3.32 -0.43 0.00 5.04 -1.26 -0.14 117.35 122.01 3ctt s TYR 694 Ca 0.08 0.22 -0.14 0.00 -2.44 0.00 0.00 57.07 54.79 3ctt s TYR 694 Cb -0.06 -2.25 0.05 0.00 0.35 0.00 0.00 41.96 40.05 3ctt s TYR 694 CO 0.03 0.09 0.31 0.08 -1.34 0.00 0.00 175.55 174.72 3ctt s VAL 695 N 0.97 4.96 1.18 3.14 1.01 -0.14 -4.99 120.40 126.53 3ctt s VAL 695 Ca 0.07 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 3ctt s VAL 695 Cb -0.13 -3.88 0.26 0.00 0.00 0.00 0.00 36.38 32.63 3ctt s VAL 695 CO 0.04 -0.43 0.82 -2.65 0.00 0.00 0.00 175.10 172.88 3ctt n PRO 696 N 5.11 -2.42 -2.22 2.72 -0.02 -1.26 -0.40 135.00 136.51 3ctt n PRO 696 Ca -0.12 -0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 60.35 3ctt n PRO 696 Cb 0.45 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 3ctt n PRO 696 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3ctt n ASP 697 N -4.39 3.69 -3.62 2.55 2.03 -1.26 -2.28 116.55 113.27 3ctt n ASP 697 Ca 0.02 -2.77 -0.07 0.00 0.52 0.00 0.00 54.79 52.49 3ctt n ASP 697 Cb 0.56 -1.74 -0.02 0.00 -0.72 0.00 0.00 41.12 39.20 3ctt n ASP 697 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ctt s ALA 698 N 8.74 -1.67 0.02 -1.67 0.00 -1.26 -4.97 121.76 120.94 3ctt s ALA 698 Ca 0.63 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.77 3ctt s ALA 698 Cb 0.01 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 3ctt s ALA 698 CO 0.12 -0.87 1.23 0.08 0.00 0.00 0.00 175.76 176.32 3ctt s VAL 699 N -3.34 4.06 0.01 0.00 1.01 -1.26 -4.76 120.40 116.12 3ctt s VAL 699 Ca 0.08 1.45 0.09 0.00 0.00 0.00 0.00 61.98 63.59 3ctt s VAL 699 Cb -0.02 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3ctt s VAL 699 CO -0.04 0.06 -0.26 0.26 0.00 0.00 0.00 175.10 175.12 3ctt s TRP 700 N 1.62 2.34 -0.07 5.22 0.52 -1.26 0.06 118.94 127.37 3ctt s TRP 700 Ca 0.58 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 56.34 3ctt s TRP 700 Cb -0.28 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.59 3ctt s TRP 700 CO 0.26 0.05 -0.23 0.71 0.02 0.00 0.00 176.95 177.77 3ctt s TYR 701 N -0.72 2.29 0.10 -1.98 2.02 -0.14 -1.32 117.35 117.61 3ctt s TYR 701 Ca 0.11 -0.76 -0.33 0.00 -0.37 0.00 0.00 57.07 55.72 3ctt s TYR 701 Cb -0.10 -1.52 -0.12 0.00 -0.40 0.00 0.00 41.96 39.82 3ctt s TYR 701 CO 0.01 -0.27 1.76 -3.47 -1.57 0.00 0.00 175.55 172.01 3ctt n ASP 702 N 3.19 3.64 -0.11 2.29 2.03 0.22 -0.55 116.55 127.26 3ctt n ASP 702 Ca -0.18 1.02 -0.07 0.00 0.52 0.00 0.00 54.79 56.07 3ctt n ASP 702 Cb 0.52 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 3ctt n ASP 702 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 3ctt h TYR 703 N 7.74 0.36 0.01 -0.67 3.20 -1.57 0.37 116.97 126.42 3ctt h TYR 703 Ca -0.46 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.28 3ctt h TYR 703 Cb 1.24 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 39.41 3ctt h TYR 703 CO 0.75 0.20 -0.56 0.93 -1.64 0.00 0.00 178.16 177.83 3ctt h GLU 704 N 0.39 0.36 0.05 1.82 5.08 -1.90 -3.34 114.58 117.03 3ctt h GLU 704 Ca 0.15 -0.40 -0.27 0.00 -1.00 0.00 0.00 59.36 57.83 3ctt h GLU 704 Cb 0.03 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3ctt h GLU 704 CO -0.09 1.09 -1.42 1.79 -1.00 0.00 0.00 179.01 179.38 3ctt h THR 705 N -0.20 1.24 0.00 1.13 1.35 -1.97 -3.48 112.91 110.98 3ctt h THR 705 Ca -0.07 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.83 3ctt h THR 705 Cb 1.30 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 3ctt h THR 705 CO 0.11 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 3ctt n GLY 706 N 1.54 0.92 3.76 5.82 0.00 0.13 -5.01 105.19 112.36 3ctt n GLY 706 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 3ctt n GLY 706 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ctt s SER 707 N -3.02 7.21 -0.19 1.61 1.04 -1.25 -4.58 113.70 114.52 3ctt s SER 707 Ca 0.00 2.31 -0.29 0.00 0.48 0.00 0.00 55.95 58.45 3ctt s SER 707 Cb 0.00 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 3ctt s SER 707 CO 0.00 -0.19 1.25 -1.58 0.98 0.00 0.00 173.24 173.70 3ctt s GLN 708 N -1.44 4.18 0.67 4.02 0.74 -1.26 -0.61 119.66 125.96 3ctt s GLN 708 Ca 0.45 1.57 -0.17 0.00 0.05 0.00 0.00 55.36 57.26 3ctt s GLN 708 Cb -0.33 -3.77 0.00 0.00 1.10 0.00 0.00 33.01 30.01 3ctt s GLN 708 CO 0.42 -0.77 1.21 0.14 -0.55 0.00 0.00 175.29 175.74 3ctt s VAL 709 N 3.63 2.44 -0.53 1.34 -7.23 -0.43 -4.93 120.40 114.68 3ctt s VAL 709 Ca 0.54 0.24 0.24 0.00 -1.81 0.00 0.00 61.98 61.19 3ctt s VAL 709 Cb -0.20 -2.93 0.09 0.00 0.56 0.00 0.00 36.38 33.89 3ctt s VAL 709 CO 0.15 -0.09 1.33 0.03 -0.31 0.00 0.00 175.10 176.21 3ctt h ARG 710 N 0.24 0.00 -6.87 4.82 2.47 -1.95 -3.44 114.38 109.65 3ctt h ARG 710 Ca -0.49 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.71 3ctt h ARG 710 Cb 1.30 0.00 0.06 0.00 -1.65 0.00 0.00 29.97 29.68 3ctt h ARG 710 CO 0.52 0.00 0.64 -1.58 0.56 0.00 0.00 179.97 180.11 3ctt s TRP 711 N -3.21 3.07 -0.23 3.04 0.51 -1.26 -5.03 118.94 115.83 3ctt s TRP 711 Ca 0.05 1.41 -0.10 0.00 -2.12 0.00 0.00 56.10 55.34 3ctt s TRP 711 Cb 0.11 -3.67 0.09 0.00 -0.81 0.00 0.00 33.47 29.19 3ctt s TRP 711 CO 0.72 -1.84 0.52 0.50 -0.51 0.00 0.00 176.95 176.34 3ctt s ARG 712 N -1.69 0.47 -1.09 4.98 3.52 -1.26 -4.70 118.95 119.18 3ctt s ARG 712 Ca 0.49 1.11 -0.11 0.00 -0.13 0.00 0.00 55.73 57.09 3ctt s ARG 712 Cb -0.39 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.29 3ctt s ARG 712 CO 0.52 -0.20 0.87 1.17 -0.81 0.00 0.00 175.30 176.85 3ctt n LYS 713 N 4.94 -1.99 -3.53 5.12 4.81 0.46 -4.91 118.16 123.06 3ctt n LYS 713 Ca -0.15 0.72 -0.10 0.00 -0.87 0.00 0.00 58.31 57.91 3ctt n LYS 713 Cb 0.52 -5.23 -0.04 0.00 0.02 0.00 0.00 35.03 30.31 3ctt n LYS 713 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 3ctt s GLN 714 N -4.98 0.78 0.26 1.64 -2.07 -0.64 -4.96 119.66 109.69 3ctt s GLN 714 Ca 0.45 -0.09 -0.30 0.00 -1.82 0.00 0.00 55.36 53.61 3ctt s GLN 714 Cb -0.10 0.36 -0.09 0.00 -1.09 0.00 0.00 33.01 32.09 3ctt s GLN 714 CO 0.78 -0.30 1.04 0.15 -1.32 0.00 0.00 175.29 175.64 3ctt s LYS 715 N -2.21 4.72 0.08 9.60 1.02 -1.26 -0.96 119.74 130.73 3ctt s LYS 715 Ca 0.01 1.69 0.01 0.00 0.02 0.00 0.00 55.97 57.70 3ctt s LYS 715 Cb -0.01 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 3ctt s LYS 715 CO -0.03 0.32 -0.06 0.14 -0.92 0.00 0.00 175.35 174.80 3ctt s VAL 716 N -1.15 0.61 -0.58 3.17 -7.23 0.81 -4.94 120.40 111.08 3ctt s VAL 716 Ca 0.43 -1.81 -0.18 0.00 -1.81 0.00 0.00 61.98 58.62 3ctt s VAL 716 Cb -0.30 -1.52 0.11 0.00 0.56 0.00 0.00 36.38 35.24 3ctt s VAL 716 CO 0.38 -0.83 0.65 -0.70 -0.31 0.00 0.00 175.10 174.29 3ctt s GLU 717 N -3.55 3.04 -0.09 4.82 2.12 -1.26 -0.43 118.70 123.36 3ctt s GLU 717 Ca 0.08 -1.47 -0.27 0.00 0.36 0.00 0.00 54.97 53.67 3ctt s GLU 717 Cb 0.04 -4.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.12 3ctt s GLU 717 CO -0.05 -1.48 0.90 1.41 -0.54 0.00 0.00 175.26 175.50 3ctt s MET 718 N 2.31 4.43 -0.35 4.30 -2.45 0.12 -4.88 119.30 122.79 3ctt s MET 718 Ca 0.09 1.20 -0.27 0.00 -1.25 0.00 0.00 55.69 55.46 3ctt s MET 718 Cb -0.26 -3.51 0.02 0.00 1.25 0.00 0.00 34.83 32.33 3ctt s MET 718 CO 0.05 -0.18 1.01 -1.21 1.05 0.00 0.00 175.02 175.73 3ctt s GLU 719 N 1.56 3.96 -0.41 4.11 0.41 -1.26 -0.69 118.70 126.38 3ctt s GLU 719 Ca 0.45 0.83 0.01 0.00 -0.41 0.00 0.00 54.97 55.85 3ctt s GLU 719 Cb -0.18 -3.77 0.14 0.00 -1.78 0.00 0.00 34.13 28.53 3ctt s GLU 719 CO 0.19 -0.94 0.24 -0.51 -0.49 0.00 0.00 175.26 173.75 3ctt s LEU 720 N 3.60 1.99 1.32 1.80 1.43 0.28 -4.94 118.68 124.15 3ctt s LEU 720 Ca 0.42 -2.50 -0.18 0.00 -1.03 0.00 0.00 54.13 50.85 3ctt s LEU 720 Cb -0.12 -0.76 0.34 0.00 0.03 0.00 0.00 46.19 45.68 3ctt s LEU 720 CO 0.17 -0.28 0.96 -2.84 0.23 0.00 0.00 176.35 174.60 3ctt s PRO 721 N 0.59 -2.12 0.64 1.29 0.02 -1.25 -3.86 135.00 130.32 3ctt s PRO 721 Ca 0.19 0.54 0.37 0.00 0.02 0.00 0.00 61.00 62.12 3ctt s PRO 721 Cb -0.22 -1.44 2.04 0.00 0.02 0.00 0.00 34.50 34.90 3ctt s PRO 721 CO -0.01 -4.44 2.21 0.78 -0.33 0.00 0.00 177.00 175.21 3ctt h GLY 722 N -3.12 0.00 -2.24 0.52 0.00 -1.92 -1.03 103.07 95.28 3ctt h GLY 722 Ca -0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3ctt h GLY 722 CO 0.40 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.03 3ctt n ASP 723 N -3.27 3.25 -4.18 0.19 5.75 -1.26 -4.89 116.55 112.14 3ctt n ASP 723 Ca -0.02 -2.00 -0.18 0.00 -0.01 0.00 0.00 54.79 52.58 3ctt n ASP 723 Cb 0.19 -0.41 -0.12 0.00 -1.03 0.00 0.00 41.12 39.76 3ctt n ASP 723 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3ctt s LYS 724 N -1.19 0.85 0.09 0.11 -0.14 -0.39 -4.93 119.74 114.13 3ctt s LYS 724 Ca 0.41 -0.99 0.07 0.00 -1.36 0.00 0.00 55.97 54.10 3ctt s LYS 724 Cb 0.21 -0.84 -0.03 0.00 -1.68 0.00 0.00 37.83 35.49 3ctt s LYS 724 CO 0.28 0.18 -0.19 -1.50 -0.76 0.00 0.00 175.35 173.36 3ctt s ILE 725 N -1.37 1.52 -0.05 2.17 2.07 -1.26 -4.67 121.20 119.60 3ctt s ILE 725 Ca -0.01 -1.42 -0.30 0.00 -1.41 0.00 0.00 60.65 57.51 3ctt s ILE 725 Cb -0.09 -1.39 -0.04 0.00 0.13 0.00 0.00 42.46 41.07 3ctt s ILE 725 CO 0.02 -0.08 1.31 -0.83 -1.91 0.00 0.00 174.94 173.45 3ctt s GLY 726 N -1.76 1.91 -0.13 1.50 0.00 -0.05 -4.93 107.32 103.85 3ctt s GLY 726 Ca 0.04 0.70 -0.01 0.00 0.00 0.00 0.00 44.72 45.45 3ctt s GLY 726 CO 0.03 2.41 -0.02 1.08 0.00 0.00 0.00 173.10 176.60 3ctt s LEU 727 N 2.59 1.12 0.02 0.66 1.43 -1.26 -0.60 118.68 122.64 3ctt s LEU 727 Ca 0.59 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 3ctt s LEU 727 Cb -0.27 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 3ctt s LEU 727 CO 0.23 -0.20 -0.19 -1.00 0.23 0.00 0.00 176.35 175.41 3ctt s HIS 728 N 1.80 1.68 -0.16 0.29 3.76 -0.45 -1.38 115.29 120.84 3ctt s HIS 728 Ca 0.02 -0.34 -0.12 0.00 -0.15 0.00 0.00 55.06 54.47 3ctt s HIS 728 Cb -0.14 -1.04 -0.05 0.00 1.11 0.00 0.00 32.58 32.46 3ctt s HIS 728 CO -0.07 0.03 0.25 -0.51 -0.85 0.00 0.00 174.74 173.59 3ctt s LEU 729 N -0.83 4.26 -0.12 0.89 1.43 0.28 -0.85 118.68 123.74 3ctt s LEU 729 Ca 0.07 0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 3ctt s LEU 729 Cb -0.08 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 3ctt s LEU 729 CO 0.01 0.16 1.26 -0.60 0.23 0.00 0.00 176.35 177.40 3ctt s ARG 730 N 0.23 4.27 0.39 1.70 3.52 0.81 -0.96 118.95 128.91 3ctt s ARG 730 Ca 0.15 1.70 -0.28 0.00 -0.13 0.00 0.00 55.73 57.17 3ctt s ARG 730 Cb -0.13 -3.70 -0.11 0.00 -1.56 0.00 0.00 34.95 29.46 3ctt s ARG 730 CO 0.03 -0.63 1.49 0.20 -0.81 0.00 0.00 175.30 175.58 3ctt s GLY 731 N 1.86 2.94 0.00 8.12 0.00 0.11 -2.75 107.32 117.60 3ctt s GLY 731 Ca 0.56 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.85 3ctt s GLY 731 CO 0.18 2.25 0.00 0.61 0.00 0.00 0.00 173.10 176.14 3ctt n GLY 732 N 0.46 0.53 3.09 0.20 0.00 0.38 -4.45 105.19 105.39 3ctt n GLY 732 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 3ctt n GLY 732 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ctt s TYR 733 N -2.00 1.02 -0.17 1.61 2.02 -1.08 -1.76 117.35 116.98 3ctt s TYR 733 Ca 0.00 -0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 3ctt s TYR 733 Cb 0.00 -0.63 -0.01 0.00 -0.40 0.00 0.00 41.96 40.92 3ctt s TYR 733 CO 0.00 -0.00 -0.09 0.42 -1.57 0.00 0.00 175.55 174.31 3ctt s ILE 734 N -0.60 3.15 -0.27 2.71 1.01 0.46 -1.68 121.20 125.99 3ctt s ILE 734 Ca 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 3ctt s ILE 734 Cb -0.06 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 40.04 3ctt s ILE 734 CO 0.00 0.48 0.02 -0.36 0.00 0.00 0.00 174.94 175.08 3ctt s PHE 735 N 0.91 3.09 0.14 3.97 0.08 0.14 -4.25 117.98 122.07 3ctt s PHE 735 Ca -0.02 -1.13 -0.30 0.00 0.12 0.00 0.00 56.93 55.60 3ctt s PHE 735 Cb -0.15 -2.17 -0.07 0.00 -0.57 0.00 0.00 43.02 40.06 3ctt s PHE 735 CO -0.00 -0.61 1.13 -1.25 -0.10 0.00 0.00 175.22 174.39 3ctt s PRO 736 N 1.45 4.54 0.33 0.24 0.04 -1.26 0.14 135.00 140.47 3ctt s PRO 736 Ca 0.02 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.84 3ctt s PRO 736 Cb -0.17 -3.30 -0.06 0.00 0.04 0.00 0.00 34.50 31.02 3ctt s PRO 736 CO -0.00 -0.03 0.07 0.95 0.04 0.00 0.00 177.00 178.02 3ctt s THR 737 N 0.15 1.10 -0.19 1.26 -4.23 0.09 -3.00 115.64 110.82 3ctt s THR 737 Ca 0.52 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.92 3ctt s THR 737 Cb -0.29 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 70.87 3ctt s THR 737 CO 0.33 0.00 0.46 -1.58 -0.54 0.00 0.00 174.62 173.30 3ctt s GLN 738 N -3.88 0.46 0.18 3.99 0.74 -0.79 -1.38 119.66 118.99 3ctt s GLN 738 Ca 0.35 0.83 -0.33 0.00 0.05 0.00 0.00 55.36 56.26 3ctt s GLN 738 Cb 0.08 0.04 -0.14 0.00 1.10 0.00 0.00 33.01 34.10 3ctt s GLN 738 CO 0.15 -0.14 1.54 0.94 -0.55 0.00 0.00 175.29 177.22 3ctt n GLN 739 N 4.05 2.12 -2.12 1.67 7.27 -0.63 -4.14 117.38 125.61 3ctt n GLN 739 Ca -0.21 0.76 -0.31 0.00 0.07 0.00 0.00 57.00 57.31 3ctt n GLN 739 Cb 0.56 -2.51 -0.00 0.00 2.41 0.00 0.00 30.24 30.70 3ctt n GLN 739 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3ctt s PRO 740 N 0.57 3.68 0.30 3.69 0.04 -1.26 -4.73 135.00 137.28 3ctt s PRO 740 Ca 0.76 0.73 0.05 0.00 0.04 0.00 0.00 61.00 62.57 3ctt s PRO 740 Cb -0.67 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.70 3ctt s PRO 740 CO 0.41 -0.44 0.22 1.21 0.04 0.00 0.00 177.00 178.44 3ctt s ASN 741 N -3.87 1.30 0.17 6.66 3.84 -1.26 -4.94 114.94 116.83 3ctt s ASN 741 Ca 0.55 -1.64 0.22 0.00 0.21 0.00 0.00 52.86 52.20 3ctt s ASN 741 Cb -0.11 0.49 0.88 0.00 -0.55 0.00 0.00 41.25 41.96 3ctt s ASN 741 CO 0.47 -0.98 1.67 0.35 -2.79 0.00 0.00 177.10 175.81 3ctt n THR 742 N -0.53 0.79 -4.11 -5.21 -2.24 -1.26 -4.68 114.28 97.04 3ctt n THR 742 Ca 0.05 0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.85 3ctt n THR 742 Cb 0.64 -1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 3ctt n THR 742 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ctt s THR 743 N -3.18 0.69 0.08 4.28 -4.23 -1.26 -0.68 115.64 111.34 3ctt s THR 743 Ca 0.06 -1.31 0.29 0.00 -1.18 0.00 0.00 61.69 59.55 3ctt s THR 743 Cb 0.10 -0.93 0.32 0.00 1.34 0.00 0.00 72.50 73.33 3ctt s THR 743 CO 0.39 -0.46 1.89 0.71 -0.54 0.00 0.00 174.62 176.62 3ctt h THR 744 N 4.11 0.24 0.09 3.99 1.35 -1.85 0.16 112.91 121.00 3ctt h THR 744 Ca -0.37 -0.80 0.01 0.00 -0.55 0.00 0.00 66.41 64.70 3ctt h THR 744 Cb 1.19 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 69.25 3ctt h THR 744 CO 0.46 0.09 -0.13 0.25 -0.25 0.00 0.00 175.52 175.94 3ctt h LEU 745 N 0.00 -0.36 0.01 3.87 5.85 -1.97 -1.82 115.31 120.90 3ctt h LEU 745 Ca -0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ctt h LEU 745 Cb 0.64 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3ctt h LEU 745 CO 0.01 -0.19 -0.01 0.00 -0.34 0.00 0.00 178.44 177.91 3ctt h ALA 746 N 0.61 -0.01 -0.96 1.25 0.00 -1.88 -3.34 119.26 114.92 3ctt h ALA 746 Ca 0.02 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.85 3ctt h ALA 746 Cb 0.28 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 3ctt h ALA 746 CO -0.07 -0.27 0.61 0.66 0.00 0.00 0.00 179.25 180.18 3ctt h SER 747 N -0.49 0.76 0.28 0.00 4.64 -0.91 -1.56 113.55 116.28 3ctt h SER 747 Ca -0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3ctt h SER 747 Cb 0.48 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3ctt h SER 747 CO 0.00 0.35 0.00 0.54 -0.87 0.00 0.00 176.83 176.86 3ctt n ARG 748 N -4.63 0.14 -0.01 4.77 1.74 -0.69 -1.34 116.66 116.64 3ctt n ARG 748 Ca 0.20 0.53 0.13 0.00 -0.77 0.00 0.00 57.85 57.94 3ctt n ARG 748 Cb 0.48 -1.86 0.45 0.00 -1.02 0.00 0.00 32.46 30.51 3ctt n ARG 748 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ctt n LYS 749 N -2.14 1.77 -2.68 5.56 5.02 -0.58 -4.99 118.16 120.11 3ctt n LYS 749 Ca 0.00 -1.13 -0.27 0.00 -2.02 0.00 0.00 58.31 54.89 3ctt n LYS 749 Cb 0.11 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3ctt n LYS 749 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ctt s ASN 750 N -1.95 6.24 0.37 4.39 0.01 -0.45 -4.95 114.94 118.60 3ctt s ASN 750 Ca 0.36 0.88 -0.26 0.00 -0.71 0.00 0.00 52.86 53.13 3ctt s ASN 750 Cb 0.21 -2.21 -0.12 0.00 0.41 0.00 0.00 41.25 39.54 3ctt s ASN 750 CO 0.32 -0.58 1.13 -2.65 -1.51 0.00 0.00 177.10 173.81 3ctt n PRO 751 N -2.24 1.65 -2.77 -0.60 -0.02 -1.26 -4.69 135.00 125.07 3ctt n PRO 751 Ca 0.00 0.58 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 3ctt n PRO 751 Cb 0.55 -2.13 0.03 0.00 -0.02 0.00 0.00 33.50 31.93 3ctt n PRO 751 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ctt s LEU 752 N -0.66 3.37 0.15 2.45 1.43 -0.73 -1.61 118.68 123.09 3ctt s LEU 752 Ca 0.60 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 3ctt s LEU 752 Cb -0.58 -2.70 -0.00 0.00 0.03 0.00 0.00 46.19 42.94 3ctt s LEU 752 CO 0.59 -1.07 0.28 -0.83 0.23 0.00 0.00 176.35 175.55 3ctt s GLY 753 N -4.43 0.35 -0.05 -3.19 0.00 -0.48 -1.39 107.32 98.13 3ctt s GLY 753 Ca 0.57 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 44.56 3ctt s GLY 753 CO 0.37 -0.79 -0.20 1.08 0.00 0.00 0.00 173.10 173.56 3ctt s LEU 754 N -2.94 1.97 -0.30 0.66 1.43 -0.68 -0.73 118.68 118.09 3ctt s LEU 754 Ca 0.14 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 3ctt s LEU 754 Cb 0.03 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 45.13 3ctt s LEU 754 CO -0.03 0.18 0.10 -0.63 0.23 0.00 0.00 176.35 176.21 3ctt s ILE 755 N 0.00 4.11 -0.44 -0.59 1.01 0.12 -1.39 121.20 124.01 3ctt s ILE 755 Ca -0.05 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 3ctt s ILE 755 Cb -0.13 -3.13 0.06 0.00 0.01 0.00 0.00 42.46 39.27 3ctt s ILE 755 CO 0.03 0.05 0.34 -0.63 0.00 0.00 0.00 174.94 174.73 3ctt s ILE 756 N 1.52 4.97 -0.46 2.92 1.01 -0.26 0.27 121.20 131.17 3ctt s ILE 756 Ca 0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.44 3ctt s ILE 756 Cb -0.17 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.40 3ctt s ILE 756 CO 0.03 -0.50 0.47 0.00 0.00 0.00 0.00 174.94 174.94 3ctt s ALA 757 N 1.59 3.45 0.36 9.38 0.00 -0.68 0.10 121.76 135.97 3ctt s ALA 757 Ca 0.04 -1.74 -0.26 0.00 0.00 0.00 0.00 51.96 49.99 3ctt s ALA 757 Cb -0.23 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 3ctt s ALA 757 CO 0.06 -1.73 1.13 -0.51 0.00 0.00 0.00 175.76 174.71 3ctt s LEU 758 N 2.11 4.30 0.00 0.00 1.43 -1.09 0.14 118.68 125.57 3ctt s LEU 758 Ca 0.10 2.27 -0.06 0.00 -1.03 0.00 0.00 54.13 55.41 3ctt s LEU 758 Cb -0.20 -3.92 0.10 0.00 0.03 0.00 0.00 46.19 42.20 3ctt s LEU 758 CO 0.11 -0.47 0.60 -0.90 0.23 0.00 0.00 176.35 175.93 3ctt n ASP 759 N 0.41 0.17 0.26 2.29 5.68 -0.19 -3.82 116.55 121.35 3ctt n ASP 759 Ca 0.03 -1.30 0.09 0.00 -0.50 0.00 0.00 54.79 53.11 3ctt n ASP 759 Cb 0.46 -0.45 0.66 0.00 -1.14 0.00 0.00 41.12 40.65 3ctt n ASP 759 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3ctt h GLU 760 N 0.00 0.00 -0.50 0.11 3.07 -1.91 -0.03 114.58 115.32 3ctt h GLU 760 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3ctt h GLU 760 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3ctt h GLU 760 CO 0.15 0.06 0.00 0.09 -1.40 0.00 0.00 179.01 177.91 3ctt n ASN 761 N -4.28 2.43 -3.34 1.42 3.02 -1.26 -4.92 115.26 108.34 3ctt n ASN 761 Ca -0.03 -2.14 -0.24 0.00 -0.03 0.00 0.00 54.58 52.14 3ctt n ASN 761 Cb 0.14 -0.35 0.05 0.00 -0.61 0.00 0.00 39.78 39.01 3ctt n ASN 761 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ctt n LYS 762 N 0.52 -6.22 -4.36 3.52 4.76 -0.02 -4.72 118.16 111.63 3ctt n LYS 762 Ca 0.13 0.84 -0.19 0.00 -2.87 0.00 0.00 58.31 56.23 3ctt n LYS 762 Cb 0.44 -5.79 -0.10 0.00 -1.84 0.00 0.00 35.03 27.74 3ctt n LYS 762 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3ctt s GLU 763 N -6.04 1.37 -0.07 1.97 2.02 -1.26 -3.57 118.70 113.12 3ctt s GLU 763 Ca 0.45 -1.64 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 3ctt s GLU 763 Cb -0.20 -1.05 0.11 0.00 0.10 0.00 0.00 34.13 33.09 3ctt s GLU 763 CO 0.56 0.11 0.94 0.00 0.02 0.00 0.00 175.26 176.89 3ctt s ALA 764 N -3.05 -1.87 0.01 5.21 0.00 -0.88 -1.02 121.76 120.15 3ctt s ALA 764 Ca 0.24 1.27 -0.09 0.00 0.00 0.00 0.00 51.96 53.39 3ctt s ALA 764 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3ctt s ALA 764 CO 0.08 -0.53 0.18 0.15 0.00 0.00 0.00 175.76 175.64 3ctt s LYS 765 N -2.25 0.57 0.29 0.00 1.02 -0.72 -0.85 119.74 117.80 3ctt s LYS 765 Ca 0.02 -0.44 -0.19 0.00 0.02 0.00 0.00 55.97 55.38 3ctt s LYS 765 Cb -0.01 0.24 0.06 0.00 -0.52 0.00 0.00 37.83 37.60 3ctt s LYS 765 CO -0.04 -0.15 0.90 0.20 -0.92 0.00 0.00 175.35 175.34 3ctt s GLY 766 N -1.58 0.23 0.20 -3.33 0.00 -0.39 -0.40 107.32 102.04 3ctt s GLY 766 Ca -0.12 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.00 3ctt s GLY 766 CO 0.00 0.84 0.27 -1.83 0.00 0.00 0.00 173.10 172.39 3ctt s GLU 767 N -2.33 1.26 -0.08 2.90 -1.05 -1.26 -1.59 118.70 116.55 3ctt s GLU 767 Ca 0.18 -1.38 -0.03 0.00 -0.15 0.00 0.00 54.97 53.59 3ctt s GLU 767 Cb -0.04 0.36 0.04 0.00 -0.44 0.00 0.00 34.13 34.05 3ctt s GLU 767 CO 0.08 -0.46 0.17 -1.17 0.95 0.00 0.00 175.26 174.84 3ctt s LEU 768 N -3.05 0.37 -0.13 1.83 2.96 -0.20 -4.65 118.68 115.81 3ctt s LEU 768 Ca 0.27 0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 54.44 3ctt s LEU 768 Cb 0.04 0.41 -0.05 0.00 0.50 0.00 0.00 46.19 47.09 3ctt s LEU 768 CO 0.07 -0.19 0.19 0.12 -1.32 0.00 0.00 176.35 175.22 3ctt s PHE 769 N 1.61 3.55 -0.07 5.38 5.36 -1.26 -1.38 117.98 131.18 3ctt s PHE 769 Ca -0.05 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 56.44 3ctt s PHE 769 Cb -0.12 -2.08 0.04 0.00 -0.34 0.00 0.00 43.02 40.52 3ctt s PHE 769 CO -0.06 0.56 0.14 -0.46 -1.46 0.00 0.00 175.22 173.94 3ctt s TRP 770 N -0.52 -0.16 0.00 10.12 -0.11 -0.18 -4.68 118.94 123.41 3ctt s TRP 770 Ca 0.15 0.50 0.00 0.00 1.22 0.00 0.00 56.10 57.97 3ctt s TRP 770 Cb -0.12 -0.14 0.00 0.00 -1.50 0.00 0.00 33.47 31.70 3ctt s TRP 770 CO 0.04 -0.19 0.00 -0.40 -4.62 0.00 0.00 176.95 171.77 3ctt n ASP 771 N 4.53 0.00 0.02 5.86 5.75 -1.26 -0.01 116.55 131.43 3ctt n ASP 771 Ca -0.20 -0.52 0.09 0.00 -0.01 0.00 0.00 54.79 54.15 3ctt n ASP 771 Cb 0.51 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 40.99 3ctt n ASP 771 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3ctt n ASP 772 N -1.53 0.09 0.00 -1.12 5.68 -1.26 -4.88 116.55 113.52 3ctt n ASP 772 Ca 0.00 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 3ctt n ASP 772 Cb 0.00 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 3ctt n ASP 772 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ctt n GLY 773 N 0.33 0.75 0.00 6.12 0.00 -1.26 -4.72 105.19 106.41 3ctt n GLY 773 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3ctt n GLY 773 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3ctt n GLU 774 N -2.45 1.70 -2.39 1.61 0.28 -1.26 -0.65 120.64 117.49 3ctt n GLU 774 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 3ctt n GLU 774 Cb 0.00 -0.15 -0.03 0.00 1.43 0.00 0.00 31.44 32.69 3ctt n GLU 774 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3ctt s THR 775 N -0.04 3.70 0.38 3.84 2.01 -1.26 -0.94 115.64 123.33 3ctt s THR 775 Ca 0.00 1.37 -0.25 0.00 0.31 0.00 0.00 61.69 63.12 3ctt s THR 775 Cb 0.00 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 3ctt s THR 775 CO 0.00 0.19 1.04 -0.75 -0.69 0.00 0.00 174.62 174.41 3ctt s LYS 776 N 0.09 4.24 0.00 4.92 2.20 0.52 -3.79 119.74 127.92 3ctt s LYS 776 Ca 0.54 1.51 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 3ctt s LYS 776 Cb -0.32 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.39 3ctt s LYS 776 CO 0.34 -0.07 0.00 -0.25 -0.36 0.00 0.00 175.35 175.01 3ctt n ASP 777 N 0.08 -2.13 0.21 1.43 8.00 -1.26 -4.92 116.55 117.96 3ctt n ASP 777 Ca 0.04 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.58 3ctt n ASP 777 Cb 0.49 -0.36 0.45 0.00 -0.02 0.00 0.00 41.12 41.68 3ctt n ASP 777 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3ctt h THR 778 N 0.00 1.17 0.01 -3.53 1.35 -1.88 -0.79 112.91 109.24 3ctt h THR 778 Ca 0.00 -0.90 -0.00 0.00 -0.55 0.00 0.00 66.41 64.96 3ctt h THR 778 Cb 0.00 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3ctt h THR 778 CO 0.00 0.26 -0.00 0.58 -0.25 0.00 0.00 175.52 176.10 3ctt h VAL 779 N 0.00 1.23 -0.92 6.82 2.07 -1.91 0.15 116.25 123.68 3ctt h VAL 779 Ca -0.00 -1.90 0.14 0.00 0.82 0.00 0.00 66.70 65.76 3ctt h VAL 779 Cb 0.47 2.31 -0.08 0.00 -1.52 0.00 0.00 31.29 32.47 3ctt h VAL 779 CO 0.03 0.41 0.59 0.00 0.02 0.00 0.00 177.57 178.63 3ctt h ALA 780 N -0.30 1.76 -0.18 1.67 0.00 -1.96 -1.17 119.26 119.08 3ctt h ALA 780 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ctt h ALA 780 Cb 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ctt h ALA 780 CO 0.00 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.33 3ctt n ASN 781 N -4.58 2.61 -3.61 0.00 5.03 -0.31 -4.98 115.26 109.43 3ctt n ASN 781 Ca 0.18 -1.85 -0.24 0.00 0.87 0.00 0.00 54.58 53.54 3ctt n ASN 781 Cb 0.46 -0.11 0.04 0.00 -1.02 0.00 0.00 39.78 39.15 3ctt n ASN 781 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ctt n LYS 782 N 0.98 -3.04 -3.79 3.52 4.76 -0.45 -4.93 118.16 115.21 3ctt n LYS 782 Ca 0.17 0.61 -0.30 0.00 -2.87 0.00 0.00 58.31 55.92 3ctt n LYS 782 Cb 0.50 -4.93 -0.10 0.00 -1.84 0.00 0.00 35.03 28.66 3ctt n LYS 782 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3ctt n VAL 783 N -4.03 2.08 -3.58 -0.18 0.31 0.43 -4.70 118.33 108.66 3ctt n VAL 783 Ca -0.18 -4.98 -0.09 0.00 -0.01 0.00 0.00 64.34 59.08 3ctt n VAL 783 Cb 0.64 -2.23 -0.02 0.00 -0.91 0.00 0.00 33.84 31.32 3ctt n VAL 783 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 3ctt s TYR 784 N -1.57 -0.38 -0.18 3.52 -0.85 -1.26 -4.69 117.35 111.94 3ctt s TYR 784 Ca 0.27 0.11 -0.07 0.00 -0.52 0.00 0.00 57.07 56.85 3ctt s TYR 784 Cb -0.03 0.60 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 3ctt s TYR 784 CO -0.14 -0.90 0.06 -1.17 -1.52 0.00 0.00 175.55 171.88 3ctt s LEU 785 N -2.77 3.82 -0.11 -3.49 2.96 0.99 -2.00 118.68 118.08 3ctt s LEU 785 Ca 0.05 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3ctt s LEU 785 Cb -0.02 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3ctt s LEU 785 CO -0.06 0.17 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.78 3ctt s LEU 786 N 0.37 1.72 0.14 -0.68 2.96 0.29 -1.01 118.68 122.46 3ctt s LEU 786 Ca 0.03 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 3ctt s LEU 786 Cb -0.12 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 3ctt s LEU 786 CO 0.00 0.02 -0.13 0.00 -1.32 0.00 0.00 176.35 174.92 3ctt s GLU 788 N -3.13 1.38 -0.13 0.00 1.03 0.29 -1.03 118.70 117.12 3ctt s GLU 788 Ca 0.13 -0.52 -0.01 0.00 0.03 0.00 0.00 54.97 54.59 3ctt s GLU 788 Cb -0.02 -1.27 -0.02 0.00 -0.80 0.00 0.00 34.13 32.02 3ctt s GLU 788 CO 0.03 0.25 -0.09 -0.06 -1.33 0.00 0.00 175.26 174.06 3ctt s PHE 789 N -0.09 2.90 -0.01 4.83 0.08 -0.62 -0.06 117.98 125.00 3ctt s PHE 789 Ca 0.00 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.64 3ctt s PHE 789 Cb -0.09 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.49 3ctt s PHE 789 CO 0.01 -0.08 -0.08 -1.54 -0.10 0.00 0.00 175.22 173.42 3ctt s SER 790 N 0.21 0.99 -0.16 1.36 1.04 -0.52 -1.27 113.70 115.35 3ctt s SER 790 Ca -0.06 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.24 3ctt s SER 790 Cb -0.15 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.86 3ctt s SER 790 CO 0.04 0.10 -0.21 -0.69 0.98 0.00 0.00 173.24 173.46 3ctt s VAL 791 N -0.15 2.07 -0.06 5.02 1.01 -0.03 -0.23 120.40 128.02 3ctt s VAL 791 Ca 0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 3ctt s VAL 791 Cb -0.04 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.53 3ctt s VAL 791 CO -0.00 0.55 0.01 -0.89 0.00 0.00 0.00 175.10 174.76 3ctt s THR 792 N 1.00 0.30 0.00 3.92 2.01 -0.84 -2.08 115.64 119.95 3ctt s THR 792 Ca -0.02 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.14 3ctt s THR 792 Cb -0.15 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.90 3ctt s THR 792 CO -0.06 0.24 0.00 0.00 -0.69 0.00 0.00 174.62 174.11 3ctt n GLN 793 N 5.11 0.00 -0.97 4.92 10.64 -1.23 -3.15 117.38 132.69 3ctt n GLN 793 Ca -0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 3ctt n GLN 793 Cb 0.50 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.88 3ctt n GLN 793 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3ctt n ASN 794 N 0.00 -2.70 -3.59 2.61 5.03 -1.26 -4.99 115.26 110.36 3ctt n ASN 794 Ca 0.00 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.39 3ctt n ASN 794 Cb 0.00 -1.03 -0.07 0.00 -1.02 0.00 0.00 39.78 37.66 3ctt n ASN 794 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 3ctt s ARG 795 N -0.40 0.41 -0.23 3.52 3.52 -1.19 -1.06 118.95 123.53 3ctt s ARG 795 Ca 0.00 1.10 -0.12 0.00 -0.13 0.00 0.00 55.73 56.58 3ctt s ARG 795 Cb 0.00 0.42 -0.05 0.00 -1.56 0.00 0.00 34.95 33.76 3ctt s ARG 795 CO 0.00 -0.31 0.23 -1.17 -0.81 0.00 0.00 175.30 173.25 3ctt s LEU 796 N 2.70 4.13 -0.13 -0.88 2.96 0.10 -1.98 118.68 125.59 3ctt s LEU 796 Ca 0.00 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3ctt s LEU 796 Cb -0.13 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 3ctt s LEU 796 CO -0.15 0.03 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.20 3ctt s GLU 797 N 1.09 3.38 -0.32 1.98 2.02 0.68 -0.21 118.70 127.32 3ctt s GLU 797 Ca 0.11 -0.62 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 3ctt s GLU 797 Cb -0.14 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.41 3ctt s GLU 797 CO 0.05 0.28 0.10 0.08 0.02 0.00 0.00 175.26 175.79 3ctt s VAL 798 N 0.19 3.89 0.05 2.63 1.01 0.33 -1.44 120.40 127.07 3ctt s VAL 798 Ca -0.06 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3ctt s VAL 798 Cb -0.15 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3ctt s VAL 798 CO 0.04 -0.06 0.07 0.21 0.00 0.00 0.00 175.10 175.36 3ctt s ASN 799 N 1.45 5.52 -0.24 3.32 3.84 0.91 -2.49 114.94 127.26 3ctt s ASN 799 Ca 0.00 0.02 -0.00 0.00 0.21 0.00 0.00 52.86 53.09 3ctt s ASN 799 Cb -0.18 -1.50 0.03 0.00 -0.55 0.00 0.00 41.25 39.05 3ctt s ASN 799 CO 0.03 0.20 -0.10 -0.63 -2.79 0.00 0.00 177.10 173.81 3ctt s ILE 800 N -1.32 2.59 -0.13 -5.21 -1.09 -1.26 -0.54 121.20 114.23 3ctt s ILE 800 Ca 0.27 -1.11 0.17 0.00 -2.23 0.00 0.00 60.65 57.74 3ctt s ILE 800 Cb -0.12 -2.31 -0.24 0.00 -1.58 0.00 0.00 42.46 38.22 3ctt s ILE 800 CO 0.19 0.23 0.38 -1.54 -1.23 0.00 0.00 174.94 172.97 3ctt n SER 801 N 4.62 0.38 -3.82 3.58 3.41 -0.18 -4.90 113.62 116.70 3ctt n SER 801 Ca -0.17 0.18 -0.18 0.00 -0.26 0.00 0.00 58.87 58.44 3ctt n SER 801 Cb 0.47 0.64 -0.16 0.00 -0.26 0.00 0.00 64.21 64.90 3ctt n SER 801 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3ctt s GLN 802 N -2.66 0.39 -0.36 4.33 2.00 -1.00 -4.95 119.66 117.42 3ctt s GLN 802 Ca -0.07 0.06 0.14 0.00 -2.00 0.00 0.00 55.36 53.49 3ctt s GLN 802 Cb 0.08 -0.57 0.39 0.00 0.80 0.00 0.00 33.01 33.71 3ctt s GLN 802 CO 0.83 -0.15 0.83 0.45 -0.50 0.00 0.00 175.29 176.76 3ctt n SER 803 N 4.25 1.26 -0.59 6.67 2.88 -1.25 -0.55 113.62 126.29 3ctt n SER 803 Ca -0.24 -2.93 0.07 0.00 -1.33 0.00 0.00 58.87 54.45 3ctt n SER 803 Cb 0.50 -0.58 0.18 0.00 -0.75 0.00 0.00 64.21 63.56 3ctt n SER 803 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ctt n THR 804 N 0.11 1.69 -3.71 2.46 -2.24 -0.85 -4.90 114.28 106.85 3ctt n THR 804 Ca 0.19 -1.57 -0.18 0.00 -2.27 0.00 0.00 64.05 60.22 3ctt n THR 804 Cb 0.72 0.06 -0.17 0.00 -2.10 0.00 0.00 70.33 68.84 3ctt n THR 804 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ctt s TYR 805 N -2.08 0.05 -0.25 4.78 5.04 -1.22 -4.13 117.35 119.54 3ctt s TYR 805 Ca 0.30 0.21 -0.02 0.00 -2.44 0.00 0.00 57.07 55.12 3ctt s TYR 805 Cb 0.23 -0.38 0.03 0.00 0.35 0.00 0.00 41.96 42.19 3ctt s TYR 805 CO 0.09 -0.15 -0.06 0.21 -1.34 0.00 0.00 175.55 174.30 3ctt s LYS 806 N 1.72 2.81 0.21 4.97 2.20 -1.26 -4.35 119.74 126.03 3ctt s LYS 806 Ca -0.01 -1.00 -0.32 0.00 -0.36 0.00 0.00 55.97 54.29 3ctt s LYS 806 Cb -0.12 -2.99 -0.12 0.00 -1.51 0.00 0.00 37.83 33.08 3ctt s LYS 806 CO -0.03 -0.41 1.72 0.34 -0.36 0.00 0.00 175.35 176.60 3ctt s ASP 807 N 1.32 6.38 0.00 1.43 -1.08 -1.26 -4.91 116.67 118.55 3ctt s ASP 807 Ca -0.00 2.87 0.24 0.00 -0.52 0.00 0.00 52.55 55.14 3ctt s ASP 807 Cb -0.17 -2.60 1.26 0.00 -1.46 0.00 0.00 42.92 39.96 3ctt s ASP 807 CO -0.04 -0.97 1.82 -0.81 0.52 0.00 0.00 175.17 175.69 3ctt n PRO 808 N 3.91 0.40 -0.66 4.34 -0.04 -1.26 -3.83 135.00 137.87 3ctt n PRO 808 Ca 0.16 0.05 0.02 0.00 -0.04 0.00 0.00 63.50 63.69 3ctt n PRO 808 Cb 0.35 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.58 3ctt n PRO 808 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ctt n ASN 809 N -1.25 4.22 -3.87 3.54 5.03 -1.26 -4.95 115.26 116.72 3ctt n ASN 809 Ca 0.12 -2.70 -0.34 0.00 0.87 0.00 0.00 54.58 52.53 3ctt n ASN 809 Cb 0.18 -0.64 0.01 0.00 -1.02 0.00 0.00 39.78 38.31 3ctt n ASN 809 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3ctt n ASN 810 N 0.31 -4.73 -4.83 6.41 5.15 -1.25 -4.92 115.26 111.40 3ctt n ASN 810 Ca 0.22 -1.08 -0.35 0.00 -0.60 0.00 0.00 54.58 52.77 3ctt n ASN 810 Cb 0.96 -2.04 -0.06 0.00 -0.53 0.00 0.00 39.78 38.11 3ctt n ASN 810 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ctt s LEU 811 N -6.23 4.28 -0.21 1.20 1.43 -1.26 -5.01 118.68 112.88 3ctt s LEU 811 Ca 0.28 1.27 -0.23 0.00 -1.03 0.00 0.00 54.13 54.42 3ctt s LEU 811 Cb -0.14 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.55 3ctt s LEU 811 CO 0.92 0.00 0.64 0.00 0.23 0.00 0.00 176.35 178.15 3ctt s ALA 812 N -1.61 -1.60 -0.04 4.21 0.00 -1.26 -1.48 121.76 119.97 3ctt s ALA 812 Ca 0.44 1.72 -0.29 0.00 0.00 0.00 0.00 51.96 53.82 3ctt s ALA 812 Cb -0.15 -0.89 -0.07 0.00 0.00 0.00 0.00 23.12 22.01 3ctt s ALA 812 CO 0.20 -0.31 1.98 -0.06 0.00 0.00 0.00 175.76 177.57 3ctt s PHE 813 N 0.10 1.35 -0.68 0.00 0.08 -0.57 -1.78 117.98 116.47 3ctt s PHE 813 Ca -0.02 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 56.96 3ctt s PHE 813 Cb -0.04 -4.14 0.15 0.00 -0.57 0.00 0.00 43.02 38.42 3ctt s PHE 813 CO 0.02 -4.97 1.01 0.27 -0.10 0.00 0.00 175.22 171.45 3ctt n ASN 814 N 8.49 2.24 -3.73 1.36 6.94 -0.49 -1.00 115.26 129.08 3ctt n ASN 814 Ca 0.22 -1.76 -0.12 0.00 -0.02 0.00 0.00 54.58 52.90 3ctt n ASN 814 Cb 0.42 -0.10 -0.11 0.00 -2.36 0.00 0.00 39.78 37.63 3ctt n ASN 814 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3ctt s GLU 815 N -0.86 0.33 -0.15 -3.83 2.12 -1.24 -4.16 118.70 110.92 3ctt s GLU 815 Ca 0.12 0.58 0.01 0.00 0.36 0.00 0.00 54.97 56.04 3ctt s GLU 815 Cb 0.07 0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.51 3ctt s GLU 815 CO 0.10 -0.12 -0.15 0.42 -0.54 0.00 0.00 175.26 174.97 3ctt s ILE 816 N 0.89 1.64 -0.21 -3.70 1.01 0.55 -1.68 121.20 119.71 3ctt s ILE 816 Ca -0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 3ctt s ILE 816 Cb -0.07 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3ctt s ILE 816 CO -0.06 0.47 0.02 -0.75 0.00 0.00 0.00 174.94 174.62 3ctt s LYS 817 N 1.40 3.65 -0.18 2.79 2.20 -0.49 0.98 119.74 130.09 3ctt s LYS 817 Ca 0.04 -0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 55.11 3ctt s LYS 817 Cb -0.13 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.01 3ctt s LYS 817 CO -0.10 -0.03 -0.03 0.42 -0.36 0.00 0.00 175.35 175.25 3ctt s ILE 818 N 1.14 3.72 -0.04 5.43 1.01 0.86 -1.10 121.20 132.21 3ctt s ILE 818 Ca 0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3ctt s ILE 818 Cb -0.14 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 3ctt s ILE 818 CO 0.02 0.46 0.16 -0.76 0.00 0.00 0.00 174.94 174.81 3ctt s LEU 819 N 0.84 4.32 -1.10 2.97 1.43 0.11 -1.77 118.68 125.48 3ctt s LEU 819 Ca -0.01 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 3ctt s LEU 819 Cb -0.14 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.68 3ctt s LEU 819 CO 0.02 0.31 0.96 0.61 0.23 0.00 0.00 176.35 178.47 3ctt n GLY 820 N 1.30 -0.27 3.51 -3.19 0.00 -0.56 -2.67 105.19 103.30 3ctt n GLY 820 Ca -0.14 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 3ctt n GLY 820 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ctt s THR 821 N -3.27 2.93 0.72 2.61 -1.32 -0.57 -4.85 115.64 111.88 3ctt s THR 821 Ca 0.42 -1.61 -0.11 0.00 -1.21 0.00 0.00 61.69 59.17 3ctt s THR 821 Cb -0.18 -2.39 0.02 0.00 -1.51 0.00 0.00 72.50 68.44 3ctt s THR 821 CO 0.60 0.00 1.10 -1.61 -2.21 0.00 0.00 174.62 172.50 3ctt s GLU 822 N -2.44 2.77 -0.14 7.08 0.41 -1.26 -4.46 118.70 120.65 3ctt s GLU 822 Ca 0.21 0.49 -0.35 0.00 -0.41 0.00 0.00 54.97 54.91 3ctt s GLU 822 Cb -0.10 -2.01 -0.12 0.00 -1.78 0.00 0.00 34.13 30.13 3ctt s GLU 822 CO 0.12 -1.11 1.92 -1.91 -0.49 0.00 0.00 175.26 173.79 3ctt n GLU 823 N -3.06 1.98 -2.59 1.61 2.13 -1.26 -4.94 120.64 114.50 3ctt n GLU 823 Ca 0.07 0.71 -0.38 0.00 0.66 0.00 0.00 57.16 58.22 3ctt n GLU 823 Cb 0.57 -2.61 -0.05 0.00 0.27 0.00 0.00 31.44 29.62 3ctt n GLU 823 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3ctt s PRO 824 N 4.36 4.46 0.16 5.31 0.05 -1.26 -4.54 135.00 143.53 3ctt s PRO 824 Ca 0.95 1.56 0.02 0.00 0.05 0.00 0.00 61.00 63.58 3ctt s PRO 824 Cb -0.72 -2.86 -0.05 0.00 0.05 0.00 0.00 34.50 30.92 3ctt s PRO 824 CO 0.52 0.11 -0.02 -1.54 0.05 0.00 0.00 177.00 176.12 3ctt s SER 825 N -1.33 1.28 -1.29 6.66 1.04 -0.26 -4.91 113.70 114.89 3ctt s SER 825 Ca 0.51 -1.13 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 3ctt s SER 825 Cb -0.25 0.10 0.01 0.00 0.10 0.00 0.00 66.02 65.98 3ctt s SER 825 CO 0.31 -0.52 0.56 0.59 0.98 0.00 0.00 173.24 175.16 3ctt n ASN 826 N -0.20 -2.69 -4.64 7.02 3.02 -1.26 -0.66 115.26 115.84 3ctt n ASN 826 Ca -0.08 -1.09 -0.43 0.00 -0.03 0.00 0.00 54.58 52.95 3ctt n ASN 826 Cb 0.62 -2.77 -0.02 0.00 -0.61 0.00 0.00 39.78 37.00 3ctt n ASN 826 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ctt s VAL 827 N -3.74 3.87 -0.04 2.41 1.01 -1.26 -4.40 120.40 118.25 3ctt s VAL 827 Ca 0.26 1.00 0.05 0.00 0.00 0.00 0.00 61.98 63.29 3ctt s VAL 827 Cb -0.11 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3ctt s VAL 827 CO 0.91 -0.29 -0.17 -0.89 0.00 0.00 0.00 175.10 174.65 3ctt s THR 828 N 4.63 2.81 -0.19 3.92 2.01 0.49 -4.42 115.64 124.89 3ctt s THR 828 Ca 0.66 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.84 3ctt s THR 828 Cb -0.23 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.24 3ctt s THR 828 CO 0.26 0.59 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.94 3ctt s VAL 829 N -0.70 1.79 -0.02 3.82 1.01 -1.26 0.38 120.40 125.41 3ctt s VAL 829 Ca 0.11 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.17 3ctt s VAL 829 Cb -0.10 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3ctt s VAL 829 CO 0.00 0.32 -0.13 -0.54 0.00 0.00 0.00 175.10 174.75 3ctt s LYS 830 N 1.36 2.44 -0.32 2.72 1.02 0.11 -4.52 119.74 122.55 3ctt s LYS 830 Ca 0.01 -0.75 -0.02 0.00 0.02 0.00 0.00 55.97 55.24 3ctt s LYS 830 Cb -0.15 -2.38 0.06 0.00 -0.52 0.00 0.00 37.83 34.85 3ctt s LYS 830 CO -0.10 0.61 0.04 -1.58 -0.92 0.00 0.00 175.35 173.39 3ctt s HIS 831 N -0.83 3.34 -1.39 3.18 5.65 -0.75 -0.95 115.29 123.55 3ctt s HIS 831 Ca 0.13 -2.02 -0.01 0.00 0.25 0.00 0.00 55.06 53.41 3ctt s HIS 831 Cb -0.11 -2.34 0.01 0.00 -1.18 0.00 0.00 32.58 28.96 3ctt s HIS 831 CO 0.03 -0.84 0.54 0.09 -0.65 0.00 0.00 174.74 173.91 3ctt n ASN 832 N 4.60 -0.82 0.00 9.88 3.02 -1.26 -1.88 115.26 128.79 3ctt n ASN 832 Ca -0.10 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 3ctt n ASN 832 Cb 0.43 -3.42 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 3ctt n ASN 832 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ctt n GLY 833 N -1.82 1.12 3.46 7.41 0.00 -1.26 -4.98 105.19 109.11 3ctt n GLY 833 Ca -0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3ctt n GLY 833 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ctt s VAL 834 N -3.25 5.26 -0.23 1.61 1.01 -0.79 -5.00 120.40 119.01 3ctt s VAL 834 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 3ctt s VAL 834 Cb 0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3ctt s VAL 834 CO 0.00 -0.31 0.14 -2.16 0.00 0.00 0.00 175.10 172.76 3ctt s PRO 835 N 1.68 4.00 0.00 2.72 0.04 -1.26 -1.81 135.00 140.38 3ctt s PRO 835 Ca 0.05 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.78 3ctt s PRO 835 Cb -0.19 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3ctt s PRO 835 CO 0.10 0.05 0.00 0.45 0.04 0.00 0.00 177.00 177.64 3ctt n SER 836 N 4.28 0.00 -4.45 6.66 2.88 -1.26 -5.09 113.62 116.63 3ctt n SER 836 Ca -0.15 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.01 3ctt n SER 836 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.86 3ctt n SER 836 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ctt s SER 839 N 2.00 5.41 0.81 -3.46 0.15 -1.26 -5.11 113.70 112.25 3ctt s SER 839 Ca 0.00 -0.35 -0.13 0.00 0.70 0.00 0.00 55.95 56.17 3ctt s SER 839 Cb 0.00 -1.98 0.09 0.00 -1.71 0.00 0.00 66.02 62.42 3ctt s SER 839 CO 0.00 -0.11 1.18 -2.16 1.20 0.00 0.00 173.24 173.34 3ctt s PRO 840 N 1.62 1.65 0.16 5.44 0.04 -1.26 -5.00 135.00 137.65 3ctt s PRO 840 Ca 0.05 1.65 -0.29 0.00 0.04 0.00 0.00 61.00 62.45 3ctt s PRO 840 Cb -0.16 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 3ctt s PRO 840 CO 0.06 -2.18 0.90 0.99 0.04 0.00 0.00 177.00 176.81 3ctt s THR 841 N -2.31 4.35 -0.12 1.26 2.01 0.31 -4.94 115.64 116.21 3ctt s THR 841 Ca 0.71 1.98 0.01 0.00 0.31 0.00 0.00 61.69 64.69 3ctt s THR 841 Cb -0.26 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 67.99 3ctt s THR 841 CO 0.52 0.42 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.05 3ctt s VAL 842 N -0.59 1.32 -0.12 3.82 1.01 -1.26 -0.45 120.40 124.13 3ctt s VAL 842 Ca 0.42 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3ctt s VAL 842 Cb -0.24 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3ctt s VAL 842 CO 0.29 0.41 -0.03 -0.89 0.00 0.00 0.00 175.10 174.88 3ctt s THR 843 N 1.33 3.96 -0.03 3.92 2.01 -0.22 -4.99 115.64 121.62 3ctt s THR 843 Ca -0.00 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.67 3ctt s THR 843 Cb -0.14 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.68 3ctt s THR 843 CO -0.06 0.54 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.83 3ctt s TYR 844 N -0.13 1.15 -0.38 4.92 5.04 -1.26 -0.90 117.35 125.78 3ctt s TYR 844 Ca 0.03 -0.29 -0.02 0.00 -2.44 0.00 0.00 57.07 54.35 3ctt s TYR 844 Cb -0.13 -0.80 0.10 0.00 0.35 0.00 0.00 41.96 41.48 3ctt s TYR 844 CO 0.02 -0.11 0.14 0.34 -1.34 0.00 0.00 175.55 174.61 3ctt s ASP 845 N 0.11 5.11 0.33 4.32 -1.08 -0.04 -4.98 116.67 120.46 3ctt s ASP 845 Ca -0.03 -1.88 0.13 0.00 -0.52 0.00 0.00 52.55 50.25 3ctt s ASP 845 Cb -0.09 -1.78 0.58 0.00 -1.46 0.00 0.00 42.92 40.17 3ctt s ASP 845 CO 0.01 -0.46 1.73 0.77 0.52 0.00 0.00 175.17 177.74 3ctt h SER 846 N 7.98 0.00 -0.03 -0.34 4.64 -1.97 0.16 113.55 123.98 3ctt h SER 846 Ca -0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3ctt h SER 846 Cb 1.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3ctt h SER 846 CO 0.64 0.47 -0.00 -1.13 -0.87 0.00 0.00 176.83 175.94 3ctt h ASN 847 N 0.00 0.06 1.17 4.97 -0.73 -1.97 -3.28 115.58 115.79 3ctt h ASN 847 Ca -0.00 -0.32 0.00 0.00 1.87 0.00 0.00 56.30 57.85 3ctt h ASN 847 Cb 0.87 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.44 3ctt h ASN 847 CO 0.06 0.36 -0.32 0.18 -0.37 0.00 0.00 177.43 177.34 3ctt n LEU 848 N -4.90 0.77 -3.26 0.34 4.32 -1.16 -4.96 117.00 108.16 3ctt n LEU 848 Ca -0.07 0.40 -0.19 0.00 -0.02 0.00 0.00 56.01 56.13 3ctt n LEU 848 Cb 0.18 -0.25 0.08 0.00 -1.62 0.00 0.00 43.42 41.81 3ctt n LEU 848 CO 0.34 -0.12 0.17 0.29 -1.22 0.00 0.00 177.39 176.85 3ctt n LYS 849 N -2.19 -6.68 -4.82 3.23 4.76 0.02 -4.47 118.16 107.99 3ctt n LYS 849 Ca 0.04 0.76 -0.32 0.00 -2.87 0.00 0.00 58.31 55.92 3ctt n LYS 849 Cb 0.44 -5.56 -0.16 0.00 -1.84 0.00 0.00 35.03 27.90 3ctt n LYS 849 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ctt s VAL 850 N -3.31 2.15 -0.09 -0.18 1.01 -1.03 -1.49 120.40 117.46 3ctt s VAL 850 Ca 0.29 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3ctt s VAL 850 Cb -0.13 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3ctt s VAL 850 CO 0.66 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 176.26 3ctt s ALA 851 N 0.66 3.04 -0.15 5.51 0.00 -0.73 -0.86 121.76 129.24 3ctt s ALA 851 Ca -0.11 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3ctt s ALA 851 Cb -0.16 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.64 3ctt s ALA 851 CO 0.02 0.51 -0.20 0.42 0.00 0.00 0.00 175.76 176.51 3ctt s ILE 852 N -0.62 2.22 -0.30 0.00 1.01 -0.08 -0.10 121.20 123.34 3ctt s ILE 852 Ca 0.09 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 3ctt s ILE 852 Cb -0.12 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 3ctt s ILE 852 CO 0.02 0.54 0.16 -0.63 0.00 0.00 0.00 174.94 175.03 3ctt s ILE 853 N 0.83 4.80 0.09 2.92 1.01 0.28 -1.06 121.20 130.07 3ctt s ILE 853 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3ctt s ILE 853 Cb -0.15 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 3ctt s ILE 853 CO -0.02 0.14 0.01 0.35 0.00 0.00 0.00 174.94 175.42 3ctt n THR 854 N 5.01 0.00 -3.79 2.92 -2.24 0.41 -0.33 114.28 116.25 3ctt n THR 854 Ca -0.14 -0.46 -0.24 0.00 -2.27 0.00 0.00 64.05 60.94 3ctt n THR 854 Cb 0.50 0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 3ctt n THR 854 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ctt n ASP 855 N -1.34 -1.21 -4.01 3.42 2.03 -1.26 -0.53 116.55 113.64 3ctt n ASP 855 Ca -0.03 -0.91 -0.08 0.00 0.52 0.00 0.00 54.79 54.29 3ctt n ASP 855 Cb 0.12 -3.61 -0.10 0.00 -0.72 0.00 0.00 41.12 36.81 3ctt n ASP 855 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3ctt s ILE 856 N -3.77 0.16 -0.42 5.18 2.07 -1.26 -4.24 121.20 118.92 3ctt s ILE 856 Ca 0.05 -1.34 0.04 0.00 -1.41 0.00 0.00 60.65 57.99 3ctt s ILE 856 Cb -0.01 -0.97 0.17 0.00 0.13 0.00 0.00 42.46 41.78 3ctt s ILE 856 CO 0.85 -0.74 0.45 -0.62 -1.91 0.00 0.00 174.94 172.97 3ctt s ASP 857 N -2.26 0.58 -0.63 4.50 2.15 -1.25 -4.29 116.67 115.47 3ctt s ASP 857 Ca -0.03 -2.06 -0.18 0.00 0.43 0.00 0.00 52.55 50.71 3ctt s ASP 857 Cb 0.00 0.60 0.12 0.00 -0.30 0.00 0.00 42.92 43.34 3ctt s ASP 857 CO -0.06 -0.18 0.71 -0.76 -0.17 0.00 0.00 175.17 174.71 3ctt s LEU 858 N 0.89 5.64 -0.04 -1.34 1.43 -0.17 -4.94 118.68 120.15 3ctt s LEU 858 Ca 0.25 -1.67 -0.34 0.00 -1.03 0.00 0.00 54.13 51.34 3ctt s LEU 858 Cb -0.06 -2.28 -0.12 0.00 0.03 0.00 0.00 46.19 43.76 3ctt s LEU 858 CO -0.08 -1.02 1.84 0.18 0.23 0.00 0.00 176.35 177.50 3ctt n LEU 859 N 5.93 3.43 -4.58 1.79 4.77 -1.26 -1.51 117.00 125.56 3ctt n LEU 859 Ca -0.05 0.99 -0.53 0.00 -0.03 0.00 0.00 56.01 56.39 3ctt n LEU 859 Cb 0.43 -1.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.07 3ctt n LEU 859 CO 0.54 -0.08 0.87 -0.11 -1.33 0.00 0.00 177.39 177.29 3ctt n LEU 860 N 6.14 1.52 0.00 2.23 7.94 -0.55 -1.10 117.00 133.17 3ctt n LEU 860 Ca 0.22 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 3ctt n LEU 860 Cb 0.30 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.08 3ctt n LEU 860 CO 0.71 -1.12 0.00 0.61 -1.11 0.00 0.00 177.39 176.49 3ctt n GLY 861 N 2.43 0.73 3.55 -3.96 0.00 -1.26 -4.93 105.19 101.75 3ctt n GLY 861 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3ctt n GLY 861 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ctt s GLU 862 N -0.72 2.36 0.19 1.61 0.41 -0.26 -4.99 118.70 117.30 3ctt s GLU 862 Ca 0.00 -0.84 -0.30 0.00 -0.41 0.00 0.00 54.97 53.42 3ctt s GLU 862 Cb 0.00 -2.39 -0.08 0.00 -1.78 0.00 0.00 34.13 29.89 3ctt s GLU 862 CO 0.00 0.57 0.95 0.00 -0.49 0.00 0.00 175.26 176.29 3ctt s ALA 863 N -1.01 3.31 0.04 5.21 0.00 -1.26 -4.86 121.76 123.19 3ctt s ALA 863 Ca 0.17 0.61 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 3ctt s ALA 863 Cb -0.11 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3ctt s ALA 863 CO 0.08 0.11 0.09 0.71 0.00 0.00 0.00 175.76 176.74 3ctt s TYR 864 N -0.72 0.22 -0.12 0.00 2.02 -1.04 -4.01 117.35 113.70 3ctt s TYR 864 Ca 0.43 -0.55 0.02 0.00 -0.37 0.00 0.00 57.07 56.61 3ctt s TYR 864 Cb -0.25 -0.16 0.01 0.00 -0.40 0.00 0.00 41.96 41.16 3ctt s TYR 864 CO 0.31 -0.37 -0.17 0.99 -1.57 0.00 0.00 175.55 174.74 3ctt s THR 865 N -2.71 1.69 -0.18 -0.71 2.01 -0.13 -0.51 115.64 115.10 3ctt s THR 865 Ca -0.04 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3ctt s THR 865 Cb -0.01 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 3ctt s THR 865 CO -0.05 0.48 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.65 3ctt s VAL 866 N 1.00 3.97 0.02 3.82 1.01 0.70 0.08 120.40 131.01 3ctt s VAL 866 Ca -0.05 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.67 3ctt s VAL 866 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3ctt s VAL 866 CO -0.03 0.46 -0.18 -1.61 0.00 0.00 0.00 175.10 173.75 3ctt s GLU 867 N 0.62 1.26 0.19 2.72 2.02 0.16 0.01 118.70 125.68 3ctt s GLU 867 Ca -0.01 -0.78 -0.07 0.00 0.02 0.00 0.00 54.97 54.12 3ctt s GLU 867 Cb -0.14 -1.29 -0.02 0.00 0.10 0.00 0.00 34.13 32.78 3ctt s GLU 867 CO 0.02 0.34 0.28 1.67 0.02 0.00 0.00 175.26 177.59 3ctt s TRP 868 N -0.68 0.61 0.45 1.61 -2.14 -0.22 -0.38 118.94 118.19 3ctt s TRP 868 Ca 0.06 -0.94 0.05 0.00 2.66 0.00 0.00 56.10 57.92 3ctt s TRP 868 Cb -0.08 -0.15 -0.05 0.00 -3.10 0.00 0.00 33.47 30.10 3ctt s TRP 868 CO 0.01 -0.76 0.06 0.00 -2.66 0.00 0.00 176.95 173.60 3ctt s ALA 869 N -4.04 3.63 0.00 2.67 0.00 0.17 -4.56 121.76 119.63 3ctt s ALA 869 Ca 0.25 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3ctt s ALA 869 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3ctt s ALA 869 CO 0.06 -0.11 0.24 0.72 0.00 0.00 0.00 175.76 176.66