#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8j n ALA 3 N 0.00 0.17 -3.41 -0.43 0.00 -1.26 -4.84 120.51 110.74 1a8j n ALA 3 Ca 0.00 -1.30 -0.43 0.00 0.00 0.00 0.00 53.44 51.71 1a8j n ALA 3 Cb 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 1a8j n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a8j s LEU 4 N 0.00 5.80 -0.58 0.00 1.43 0.08 -4.91 118.68 120.51 1a8j s LEU 4 Ca 0.44 -1.80 -0.31 0.00 -1.03 0.00 0.00 54.13 51.42 1a8j s LEU 4 Cb -0.03 -2.08 -0.16 0.00 0.03 0.00 0.00 46.19 43.95 1a8j s LEU 4 CO 0.29 -0.73 1.93 0.41 0.23 0.00 0.00 176.35 178.48 1a8j n THR 5 N 5.04 0.00 -5.17 5.49 -1.04 0.97 -3.28 114.28 116.28 1a8j n THR 5 Ca -0.10 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.59 1a8j n THR 5 Cb 0.41 -0.41 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 1a8j n THR 5 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1a8j s GLN 6 N 5.91 2.16 0.88 -2.82 0.74 -1.26 0.11 119.66 125.37 1a8j s GLN 6 Ca 1.03 -0.90 -0.10 0.00 0.05 0.00 0.00 55.36 55.44 1a8j s GLN 6 Cb -1.14 -2.11 0.12 0.00 1.10 0.00 0.00 33.01 30.99 1a8j s GLN 6 CO 0.48 0.57 1.14 -2.14 -0.55 0.00 0.00 175.29 174.78 1a8j s PRO 7 N -0.72 1.32 0.00 1.67 0.02 -1.24 -4.52 135.00 131.52 1a8j s PRO 7 Ca 0.11 1.47 0.18 0.00 0.02 0.00 0.00 61.00 62.77 1a8j s PRO 7 Cb -0.10 -1.77 0.51 0.00 0.02 0.00 0.00 34.50 33.16 1a8j s PRO 7 CO -0.00 -2.40 1.42 -0.35 -0.33 0.00 0.00 177.00 175.34 1a8j n PRO 8 N -4.05 2.14 -3.65 5.54 -0.04 -1.24 -3.43 135.00 130.27 1a8j n PRO 8 Ca 0.11 -1.76 -0.01 0.00 -0.04 0.00 0.00 63.50 61.80 1a8j n PRO 8 Cb 0.52 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1a8j n PRO 8 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1a8j s SER 9 N -1.20 -0.01 0.13 3.54 1.04 -1.26 -3.84 113.70 112.10 1a8j s SER 9 Ca 0.35 0.01 -0.09 0.00 0.48 0.00 0.00 55.95 56.70 1a8j s SER 9 Cb 0.19 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1a8j s SER 9 CO 0.25 -0.01 0.25 0.00 0.98 0.00 0.00 173.24 174.71 1a8j s ALA 10 N -1.02 -0.09 -0.16 5.32 0.00 -1.21 -4.91 121.76 119.70 1a8j s ALA 10 Ca 0.10 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 1a8j s ALA 10 Cb -0.01 0.71 0.06 0.00 0.00 0.00 0.00 23.12 23.88 1a8j s ALA 10 CO -0.09 -0.59 0.38 -1.54 0.00 0.00 0.00 175.76 173.92 1a8j s SER 11 N -2.92 -0.43 0.00 0.00 1.04 -1.26 -2.06 113.70 108.06 1a8j s SER 11 Ca 0.12 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1a8j s SER 11 Cb 0.04 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1a8j s SER 11 CO -0.04 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1a8j n GLY 12 N 4.36 5.35 3.03 7.32 0.00 -1.21 -4.95 105.19 119.08 1a8j n GLY 12 Ca -0.22 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 1a8j n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a8j s SER 13 N -0.03 -0.08 0.00 1.61 0.01 -1.26 -1.76 113.70 112.19 1a8j s SER 13 Ca 0.00 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.75 1a8j s SER 13 Cb 0.00 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.54 1a8j s SER 13 CO 0.00 -0.28 0.00 0.18 0.41 0.00 0.00 173.24 173.55 1a8j n LEU 14 N 5.38 0.00 0.00 2.44 7.99 -1.25 0.14 117.00 131.70 1a8j n LEU 14 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1a8j n LEU 14 Cb 0.50 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 1a8j n LEU 14 CO 0.04 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.53 1a8j n GLY 15 N 0.00 2.94 0.00 -0.72 0.00 0.11 -4.88 105.19 102.64 1a8j n GLY 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a8j n GLY 15 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1a8j n GLN 16 N -1.14 3.21 -3.55 1.61 7.27 0.36 -3.39 117.38 121.75 1a8j n GLN 16 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 1a8j n GLN 16 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 1a8j n GLN 16 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1a8j s SER 17 N -1.43 -0.52 -0.03 1.69 1.04 -1.25 -1.39 113.70 111.82 1a8j s SER 17 Ca 0.00 0.57 -0.02 0.00 0.48 0.00 0.00 55.95 56.99 1a8j s SER 17 Cb 0.00 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1a8j s SER 17 CO 0.00 -0.47 0.06 0.54 0.98 0.00 0.00 173.24 174.35 1a8j s VAL 18 N -1.12 -0.02 -0.29 5.02 0.11 0.11 -4.85 120.40 119.37 1a8j s VAL 18 Ca -0.06 0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1a8j s VAL 18 Cb -0.00 -0.11 0.01 0.00 -1.53 0.00 0.00 36.38 34.75 1a8j s VAL 18 CO 0.06 0.02 0.06 0.28 -3.33 0.00 0.00 175.10 172.19 1a8j s THR 19 N 0.35 3.83 -0.24 5.04 -1.32 -1.26 0.15 115.64 122.20 1a8j s THR 19 Ca -0.03 -0.72 -0.14 0.00 -1.21 0.00 0.00 61.69 59.59 1a8j s THR 19 Cb -0.04 -2.97 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 1a8j s THR 19 CO -0.01 0.10 0.31 -0.63 -2.21 0.00 0.00 174.62 172.18 1a8j s ILE 20 N 1.48 5.24 -0.02 5.08 1.09 1.10 -4.90 121.20 130.27 1a8j s ILE 20 Ca 0.02 0.49 0.05 0.00 -1.10 0.00 0.00 60.65 60.10 1a8j s ILE 20 Cb -0.17 -3.64 -0.01 0.00 -1.06 0.00 0.00 42.46 37.58 1a8j s ILE 20 CO 0.02 0.25 -0.15 -0.94 -0.10 0.00 0.00 174.94 174.01 1a8j s SER 21 N 1.26 1.85 0.18 3.58 1.04 -1.26 0.15 113.70 120.50 1a8j s SER 21 Ca 0.14 -0.29 0.10 0.00 0.48 0.00 0.00 55.95 56.39 1a8j s SER 21 Cb -0.15 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 1a8j s SER 21 CO 0.08 0.18 -0.19 0.00 0.98 0.00 0.00 173.24 174.29 1a8j s THR 23 N -1.65 1.04 0.00 0.00 -4.23 0.30 -2.26 115.64 108.84 1a8j s THR 23 Ca 0.22 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 1a8j s THR 23 Cb -0.08 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.62 1a8j s THR 23 CO 0.12 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1a8j n GLY 24 N 1.06 5.22 3.75 3.99 0.00 0.04 -0.02 105.19 119.23 1a8j n GLY 24 Ca -0.20 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 1a8j n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a8j s THR 25 N 1.32 1.48 -0.93 2.61 -4.23 -1.26 -4.82 115.64 109.81 1a8j s THR 25 Ca 0.00 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1a8j s THR 25 Cb 0.00 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1a8j s THR 25 CO 0.00 0.00 0.57 -1.54 -0.54 0.00 0.00 174.62 173.11 1a8j n SER 26 N -1.27 1.26 -0.08 3.99 3.41 -1.26 0.33 113.62 119.99 1a8j n SER 26 Ca -0.13 -2.04 -0.14 0.00 -0.26 0.00 0.00 58.87 56.31 1a8j n SER 26 Cb 0.66 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 1a8j n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a8j n SER 27 N 0.04 2.17 -0.00 4.04 7.64 -1.26 -3.51 113.62 122.74 1a8j n SER 27 Ca 0.01 0.03 -0.00 0.00 1.01 0.00 0.00 58.87 59.91 1a8j n SER 27 Cb 0.30 -0.34 -0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1a8j n SER 27 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1a8j n ASP 28 N -3.26 0.07 0.04 6.43 5.68 -1.23 -4.52 116.55 119.75 1a8j n ASP 28 Ca -0.30 0.01 -0.02 0.00 -0.50 0.00 0.00 54.79 53.99 1a8j n ASP 28 Cb 0.77 -0.28 -0.01 0.00 -1.14 0.00 0.00 41.12 40.46 1a8j n ASP 28 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1a8j h VAL 29 N -0.02 0.00 0.00 2.12 2.07 -1.71 -3.25 116.25 115.46 1a8j h VAL 29 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1a8j h VAL 29 Cb 0.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1a8j h VAL 29 CO 0.00 0.00 0.36 0.61 0.02 0.00 0.00 177.57 178.56 1a8j n GLY 30 N 0.44 -0.41 0.13 2.17 0.00 0.98 -2.44 105.19 106.07 1a8j n GLY 30 Ca -0.01 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1a8j n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8j n GLY 31 N -1.25 -0.48 1.08 -0.02 0.00 -1.23 -4.66 105.19 98.63 1a8j n GLY 31 Ca -0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1a8j n GLY 31 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1a8j n TYR 32 N -3.65 -1.31 -2.31 1.61 4.02 -1.02 -5.05 117.16 109.44 1a8j n TYR 32 Ca -0.43 -0.66 -0.26 0.00 -0.01 0.00 0.00 57.90 56.54 1a8j n TYR 32 Cb 0.95 -0.13 0.01 0.00 -0.02 0.00 0.00 39.34 40.15 1a8j n TYR 32 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1a8j n ASN 33 N -2.00 4.80 -2.32 7.72 5.15 -1.26 -4.77 115.26 122.59 1a8j n ASN 33 Ca -0.00 -3.73 -0.20 0.00 -0.60 0.00 0.00 54.58 50.04 1a8j n ASN 33 Cb 0.18 -0.42 0.02 0.00 -0.53 0.00 0.00 39.78 39.03 1a8j n ASN 33 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1a8j n TYR 34 N -0.57 2.61 -3.15 1.20 4.01 -1.26 -4.19 117.16 115.82 1a8j n TYR 34 Ca 0.41 -2.52 -0.44 0.00 -0.16 0.00 0.00 57.90 55.20 1a8j n TYR 34 Cb 0.77 -0.25 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 1a8j n TYR 34 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a8j s VAL 35 N -4.65 4.86 0.31 -0.72 1.01 -1.26 -3.44 120.40 116.51 1a8j s VAL 35 Ca 0.45 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.13 1a8j s VAL 35 Cb 0.40 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1a8j s VAL 35 CO -0.04 -0.77 0.10 -0.44 0.00 0.00 0.00 175.10 173.96 1a8j s SER 36 N 2.56 4.73 -0.06 3.32 0.01 -1.23 -1.22 113.70 121.82 1a8j s SER 36 Ca 0.16 -0.68 0.04 0.00 1.31 0.00 0.00 55.95 56.78 1a8j s SER 36 Cb -0.18 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.22 1a8j s SER 36 CO 0.13 -0.18 -0.17 0.26 0.41 0.00 0.00 173.24 173.69 1a8j s TRP 37 N -2.36 1.79 0.40 2.43 0.52 -1.15 0.22 118.94 120.80 1a8j s TRP 37 Ca 0.35 -0.59 0.08 0.00 0.02 0.00 0.00 56.10 55.95 1a8j s TRP 37 Cb -0.04 -1.23 -0.04 0.00 -1.15 0.00 0.00 33.47 31.01 1a8j s TRP 37 CO 0.22 -0.24 0.24 0.71 0.02 0.00 0.00 176.95 177.90 1a8j s TYR 38 N 0.25 2.66 -0.29 -1.98 1.51 0.15 -2.29 117.35 117.35 1a8j s TYR 38 Ca -0.09 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.48 1a8j s TYR 38 Cb -0.14 -1.98 0.19 0.00 -0.11 0.00 0.00 41.96 39.92 1a8j s TYR 38 CO 0.04 0.11 0.57 -1.14 -1.11 0.00 0.00 175.55 174.02 1a8j s GLN 39 N -3.97 0.54 0.01 -0.62 0.74 0.54 -1.37 119.66 115.54 1a8j s GLN 39 Ca 0.43 0.63 0.01 0.00 0.05 0.00 0.00 55.36 56.47 1a8j s GLN 39 Cb 0.01 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 34.34 1a8j s GLN 39 CO 0.24 -0.93 0.06 1.14 -0.55 0.00 0.00 175.29 175.25 1a8j s GLN 40 N 2.81 2.95 -0.21 1.67 -2.07 -1.02 -2.88 119.66 120.90 1a8j s GLN 40 Ca 0.13 -0.56 -0.15 0.00 -1.82 0.00 0.00 55.36 52.96 1a8j s GLN 40 Cb -0.12 -2.78 -0.04 0.00 -1.09 0.00 0.00 33.01 28.98 1a8j s GLN 40 CO -0.25 0.63 0.35 -1.01 -1.32 0.00 0.00 175.29 173.69 1a8j s HIS 41 N -1.19 3.36 0.00 9.60 3.76 -1.25 -3.17 115.29 126.40 1a8j s HIS 41 Ca 0.23 0.53 0.00 0.00 -0.15 0.00 0.00 55.06 55.67 1a8j s HIS 41 Cb -0.12 -2.48 0.00 0.00 1.11 0.00 0.00 32.58 31.09 1a8j s HIS 41 CO 0.14 -0.01 0.00 0.00 -0.85 0.00 0.00 174.74 174.02 1a8j n ALA 42 N 4.48 -0.53 -3.35 -1.40 0.00 -1.26 -1.79 120.51 116.66 1a8j n ALA 42 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 1a8j n ALA 42 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1a8j n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8j n GLY 43 N 0.26 -1.21 3.58 0.00 0.00 -1.26 -5.02 105.19 101.53 1a8j n GLY 43 Ca 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.40 1a8j n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a8j s LYS 44 N -4.09 0.76 0.12 1.61 1.02 -0.74 -5.15 119.74 113.27 1a8j s LYS 44 Ca 0.13 0.36 -0.21 0.00 0.02 0.00 0.00 55.97 56.27 1a8j s LYS 44 Cb -0.03 0.36 -0.12 0.00 -0.52 0.00 0.00 37.83 37.51 1a8j s LYS 44 CO 0.80 -0.20 0.43 0.00 -0.92 0.00 0.00 175.35 175.46 1a8j n ALA 45 N 1.28 -2.40 -1.43 5.17 0.00 -1.26 -3.91 120.51 117.94 1a8j n ALA 45 Ca -0.14 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.34 1a8j n ALA 45 Cb 0.57 -1.17 0.14 0.00 0.00 0.00 0.00 19.45 19.00 1a8j n ALA 45 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1a8j s PRO 46 N -0.62 1.01 0.03 0.00 0.02 -1.26 -4.33 135.00 129.84 1a8j s PRO 46 Ca 0.48 0.38 -0.11 0.00 0.02 0.00 0.00 61.00 61.77 1a8j s PRO 46 Cb -0.70 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.02 1a8j s PRO 46 CO 0.40 -2.31 0.23 0.21 -0.33 0.00 0.00 177.00 175.21 1a8j s LYS 47 N -5.18 0.69 -0.14 5.54 2.20 -1.14 -4.90 119.74 116.81 1a8j s LYS 47 Ca 0.64 -0.49 -0.05 0.00 -0.36 0.00 0.00 55.97 55.71 1a8j s LYS 47 Cb -0.16 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 1a8j s LYS 47 CO 0.55 -0.20 0.04 0.54 -0.36 0.00 0.00 175.35 175.91 1a8j s VAL 48 N -2.17 4.59 0.00 4.02 0.11 -1.26 -0.34 120.40 125.35 1a8j s VAL 48 Ca -0.08 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1a8j s VAL 48 Cb -0.03 -3.01 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 1a8j s VAL 48 CO -0.01 0.53 0.58 2.30 -3.33 0.00 0.00 175.10 175.17 1a8j n ILE 49 N 2.89 0.33 -3.62 7.04 -5.35 -0.97 -4.72 119.36 114.96 1a8j n ILE 49 Ca -0.18 -0.48 -0.15 0.00 -0.27 0.00 0.00 62.75 61.67 1a8j n ILE 49 Cb 0.53 1.01 -0.07 0.00 -1.74 0.00 0.00 39.64 39.37 1a8j n ILE 49 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1a8j s ILE 50 N -0.33 0.01 -0.03 7.28 1.01 -1.19 -4.57 121.20 123.38 1a8j s ILE 50 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 1a8j s ILE 50 Cb 0.00 -0.90 0.05 0.00 0.01 0.00 0.00 42.46 41.61 1a8j s ILE 50 CO 0.00 -0.02 0.51 -0.72 0.00 0.00 0.00 174.94 174.70 1a8j s TYR 51 N -0.36 -0.43 -1.54 3.97 1.13 -0.83 -2.91 117.35 116.38 1a8j s TYR 51 Ca -0.05 0.70 -0.04 0.00 -1.41 0.00 0.00 57.07 56.27 1a8j s TYR 51 Cb -0.03 0.27 0.01 0.00 -1.10 0.00 0.00 41.96 41.11 1a8j s TYR 51 CO 0.04 -0.52 0.46 0.39 -2.51 0.00 0.00 175.55 173.42 1a8j n GLU 52 N 1.02 -4.06 0.00 -3.49 1.02 -1.26 -2.81 120.64 111.06 1a8j n GLU 52 Ca -0.20 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 1a8j n GLU 52 Cb 0.57 -5.66 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 1a8j n GLU 52 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1a8j n VAL 53 N -4.31 0.00 -3.43 2.62 0.31 -0.36 -4.55 118.33 108.62 1a8j n VAL 53 Ca -0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.79 1a8j n VAL 53 Cb 0.62 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.53 1a8j n VAL 53 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1a8j n ASN 54 N 3.37 5.07 -3.56 4.52 2.85 -1.25 -4.42 115.26 121.84 1a8j n ASN 54 Ca 0.00 -3.12 -0.07 0.00 -0.11 0.00 0.00 54.58 51.28 1a8j n ASN 54 Cb 0.00 -1.23 -0.02 0.00 1.24 0.00 0.00 39.78 39.77 1a8j n ASN 54 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1a8j s LYS 55 N -1.49 0.95 -0.05 1.20 1.02 -1.12 -4.96 119.74 115.29 1a8j s LYS 55 Ca 0.30 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 1a8j s LYS 55 Cb -0.07 0.40 0.02 0.00 -0.52 0.00 0.00 37.83 37.66 1a8j s LYS 55 CO -0.08 -0.42 0.13 1.03 -0.92 0.00 0.00 175.35 175.09 1a8j s ARG 56 N -3.21 0.13 0.60 1.68 0.52 -1.26 -1.96 118.95 115.45 1a8j s ARG 56 Ca 0.07 0.23 -0.19 0.00 -0.52 0.00 0.00 55.73 55.32 1a8j s ARG 56 Cb -0.01 0.00 -0.03 0.00 0.52 0.00 0.00 34.95 35.43 1a8j s ARG 56 CO -0.06 -0.06 1.28 -2.14 0.02 0.00 0.00 175.30 174.33 1a8j s PRO 57 N 0.38 2.88 0.00 3.54 0.02 -1.26 -4.73 135.00 135.83 1a8j s PRO 57 Ca -0.03 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1a8j s PRO 57 Cb -0.04 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1a8j s PRO 57 CO -0.02 -1.33 0.13 0.45 -0.33 0.00 0.00 177.00 175.90 1a8j n SER 58 N -1.54 0.00 0.00 2.53 2.88 -1.26 -2.37 113.62 113.86 1a8j n SER 58 Ca 0.14 -0.82 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 1a8j n SER 58 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1a8j n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a8j n GLY 59 N 2.01 -0.21 3.74 0.46 0.00 -1.26 -5.09 105.19 104.84 1a8j n GLY 59 Ca 0.00 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1a8j n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a8j s VAL 60 N -1.89 2.36 1.06 1.61 -7.23 -1.00 -4.98 120.40 110.34 1a8j s VAL 60 Ca 0.00 0.29 -0.14 0.00 -1.81 0.00 0.00 61.98 60.32 1a8j s VAL 60 Cb 0.00 -3.18 0.22 0.00 0.56 0.00 0.00 36.38 33.98 1a8j s VAL 60 CO 0.00 0.04 1.09 -2.16 -0.31 0.00 0.00 175.10 173.76 1a8j s PRO 61 N 0.21 -0.09 0.00 4.82 0.04 -1.26 -4.87 135.00 133.85 1a8j s PRO 61 Ca 0.66 0.38 0.02 0.00 0.04 0.00 0.00 61.00 62.10 1a8j s PRO 61 Cb -0.45 -1.69 0.14 0.00 0.04 0.00 0.00 34.50 32.54 1a8j s PRO 61 CO 0.40 -3.05 0.57 -0.40 0.04 0.00 0.00 177.00 174.56 1a8j n ASP 62 N -4.37 0.00 0.00 6.66 5.68 -1.26 -1.95 116.55 121.31 1a8j n ASP 62 Ca 0.06 -0.78 0.11 0.00 -0.50 0.00 0.00 54.79 53.68 1a8j n ASP 62 Cb 0.58 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.44 1a8j n ASP 62 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1a8j n ARG 63 N -0.59 0.42 -3.18 0.11 1.74 -1.26 -4.86 116.66 109.04 1a8j n ARG 63 Ca 0.02 -0.10 -0.39 0.00 -0.77 0.00 0.00 57.85 56.60 1a8j n ARG 63 Cb 0.01 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 29.85 1a8j n ARG 63 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1a8j s PHE 64 N -3.32 3.41 -0.30 -1.55 0.08 -0.82 -2.98 117.98 112.49 1a8j s PHE 64 Ca -0.02 0.89 -0.16 0.00 0.12 0.00 0.00 56.93 57.77 1a8j s PHE 64 Cb 0.14 -2.72 0.17 0.00 -0.57 0.00 0.00 43.02 40.05 1a8j s PHE 64 CO 0.88 -0.08 1.06 -1.54 -0.10 0.00 0.00 175.22 175.43 1a8j s SER 65 N 1.07 -0.46 0.31 1.36 1.04 -1.13 -4.96 113.70 110.93 1a8j s SER 65 Ca 0.27 0.64 0.08 0.00 0.48 0.00 0.00 55.95 57.42 1a8j s SER 65 Cb -0.16 1.51 -0.06 0.00 0.10 0.00 0.00 66.02 67.41 1a8j s SER 65 CO 0.11 -0.09 -0.07 -0.83 0.98 0.00 0.00 173.24 173.34 1a8j s GLY 66 N 2.30 1.98 -0.25 7.32 0.00 -1.26 -1.10 107.32 116.31 1a8j s GLY 66 Ca -0.02 -1.98 -0.23 0.00 0.00 0.00 0.00 44.72 42.48 1a8j s GLY 66 CO -0.17 -1.92 0.67 -1.35 0.00 0.00 0.00 173.10 170.34 1a8j s SER 67 N -3.51 -0.70 0.11 1.64 1.04 0.13 -3.86 113.70 108.55 1a8j s SER 67 Ca 0.31 1.35 -0.28 0.00 0.48 0.00 0.00 55.95 57.81 1a8j s SER 67 Cb 0.03 1.37 -0.06 0.00 0.10 0.00 0.00 66.02 67.46 1a8j s SER 67 CO 0.14 -0.24 0.87 -0.75 0.98 0.00 0.00 173.24 174.24 1a8j s LYS 68 N 0.34 4.63 0.00 4.02 2.20 -1.26 -2.60 119.74 127.06 1a8j s LYS 68 Ca -0.00 1.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1a8j s LYS 68 Cb -0.05 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1a8j s LYS 68 CO 0.01 0.31 0.00 0.43 -0.36 0.00 0.00 175.35 175.74 1a8j n SER 69 N 2.54 0.00 0.00 1.43 7.64 -0.86 -4.98 113.62 119.40 1a8j n SER 69 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1a8j n SER 69 Cb 0.49 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1a8j n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a8j n GLY 70 N 3.01 0.40 0.91 0.23 0.00 -1.26 -4.88 105.19 103.60 1a8j n GLY 70 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1a8j n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a8j n ASN 71 N 0.00 3.63 -3.83 1.61 5.03 -1.26 -4.68 115.26 115.75 1a8j n ASN 71 Ca 0.00 -2.46 -0.20 0.00 0.87 0.00 0.00 54.58 52.79 1a8j n ASN 71 Cb 0.00 -0.41 -0.17 0.00 -1.02 0.00 0.00 39.78 38.18 1a8j n ASN 71 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1a8j s THR 72 N -1.83 0.40 0.00 3.41 -1.32 -1.26 -0.78 115.64 114.27 1a8j s THR 72 Ca 0.35 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 1a8j s THR 72 Cb 0.24 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.74 1a8j s THR 72 CO 0.15 0.22 0.00 0.00 -2.21 0.00 0.00 174.62 172.78 1a8j n ALA 73 N 4.46 0.00 0.00 11.08 0.00 -0.96 -2.03 120.51 133.06 1a8j n ALA 73 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1a8j n ALA 73 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1a8j n ALA 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a8j n SER 74 N -0.76 0.00 -4.77 0.00 3.41 -1.07 -3.37 113.62 107.06 1a8j n SER 74 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1a8j n SER 74 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1a8j n SER 74 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1a8j s LEU 75 N 0.00 3.77 -0.01 1.04 2.96 0.40 0.21 118.68 127.06 1a8j s LEU 75 Ca 0.00 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1a8j s LEU 75 Cb 0.00 -2.44 -0.00 0.00 0.50 0.00 0.00 46.19 44.24 1a8j s LEU 75 CO 0.00 0.15 0.06 0.42 -1.32 0.00 0.00 176.35 175.66 1a8j s THR 76 N -1.46 0.05 -0.08 3.68 -4.23 -0.26 0.35 115.64 113.69 1a8j s THR 76 Ca 0.29 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1a8j s THR 76 Cb -0.12 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.51 1a8j s THR 76 CO 0.22 -0.24 -0.07 0.68 -0.54 0.00 0.00 174.62 174.67 1a8j s VAL 77 N -0.75 0.84 0.37 2.29 -7.23 0.40 -2.84 120.40 113.48 1a8j s VAL 77 Ca -0.08 -0.22 0.04 0.00 -1.81 0.00 0.00 61.98 59.90 1a8j s VAL 77 Cb -0.05 -0.86 0.04 0.00 0.56 0.00 0.00 36.38 36.07 1a8j s VAL 77 CO 0.00 0.32 0.33 -1.54 -0.31 0.00 0.00 175.10 173.90 1a8j n SER 78 N 4.58 2.03 -2.33 4.85 3.41 -1.16 0.08 113.62 125.08 1a8j n SER 78 Ca -0.16 -2.23 -0.16 0.00 -0.26 0.00 0.00 58.87 56.06 1a8j n SER 78 Cb 0.51 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 1a8j n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a8j n GLY 79 N 0.49 -0.31 3.49 5.00 0.00 -0.48 -4.75 105.19 108.63 1a8j n GLY 79 Ca 0.01 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.50 1a8j n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a8j n LEU 80 N -2.81 -0.06 -4.31 0.99 7.94 -1.16 -4.47 117.00 113.11 1a8j n LEU 80 Ca -0.19 1.15 -0.16 0.00 -1.11 0.00 0.00 56.01 55.70 1a8j n LEU 80 Cb 0.63 -1.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.48 1a8j n LEU 80 CO 0.22 -2.13 -0.27 -1.10 -1.11 0.00 0.00 177.39 173.01 1a8j s GLN 81 N -0.42 1.38 0.19 1.96 -0.21 -1.26 0.07 119.66 121.36 1a8j s GLN 81 Ca 0.78 -1.73 -0.08 0.00 0.02 0.00 0.00 55.36 54.34 1a8j s GLN 81 Cb -1.06 -0.30 0.09 0.00 1.00 0.00 0.00 33.01 32.74 1a8j s GLN 81 CO 0.56 -0.26 1.64 0.00 -2.12 0.00 0.00 175.29 175.10 1a8j h ALA 82 N 2.42 0.84 0.00 6.09 0.00 -1.94 -2.64 119.26 124.03 1a8j h ALA 82 Ca -0.38 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1a8j h ALA 82 Cb 1.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1a8j h ALA 82 CO 0.62 0.66 0.00 -0.85 0.00 0.00 0.00 179.25 179.68 1a8j n GLU 83 N -4.16 0.10 0.00 0.00 0.00 -1.26 -1.55 120.64 113.77 1a8j n GLU 83 Ca 0.02 0.59 0.14 0.00 0.00 0.00 0.00 57.16 57.90 1a8j n GLU 83 Cb 0.37 -1.82 0.63 0.00 0.00 0.00 0.00 31.44 30.62 1a8j n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1a8j n ASP 84 N -2.03 0.00 -4.64 -1.84 8.00 -0.99 -4.80 116.55 110.24 1a8j n ASP 84 Ca -0.01 0.37 -0.43 0.00 0.71 0.00 0.00 54.79 55.43 1a8j n ASP 84 Cb 0.03 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.65 1a8j n ASP 84 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1a8j n GLU 85 N -1.45 2.58 -3.59 -1.24 2.13 -0.59 -4.88 120.64 113.59 1a8j n GLU 85 Ca 0.08 0.90 0.03 0.00 0.66 0.00 0.00 57.16 58.84 1a8j n GLU 85 Cb 0.31 -3.03 -0.00 0.00 0.27 0.00 0.00 31.44 28.98 1a8j n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a8j s ALA 86 N 5.41 -2.46 -0.14 4.31 0.00 -1.12 -4.89 121.76 122.88 1a8j s ALA 86 Ca 0.92 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 53.61 1a8j s ALA 86 Cb -0.44 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1a8j s ALA 86 CO 0.41 -1.06 0.33 -0.51 0.00 0.00 0.00 175.76 174.93 1a8j s ASP 87 N -3.03 6.51 0.06 0.00 1.01 -1.19 -1.70 116.67 118.33 1a8j s ASP 87 Ca 0.15 0.60 0.06 0.00 0.71 0.00 0.00 52.55 54.08 1a8j s ASP 87 Cb 0.07 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 1a8j s ASP 87 CO -0.06 0.12 -0.13 -0.31 0.21 0.00 0.00 175.17 175.00 1a8j s TYR 88 N 0.28 2.69 0.15 4.23 1.51 0.27 -2.43 117.35 124.04 1a8j s TYR 88 Ca 0.19 -0.18 0.08 0.00 -1.01 0.00 0.00 57.07 56.16 1a8j s TYR 88 Cb -0.14 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.20 1a8j s TYR 88 CO 0.06 0.35 -0.19 0.71 -1.11 0.00 0.00 175.55 175.36 1a8j s TYR 89 N -1.05 1.83 -0.03 2.71 2.02 -0.47 -2.60 117.35 119.75 1a8j s TYR 89 Ca 0.18 -0.45 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 1a8j s TYR 89 Cb -0.11 -0.94 -0.01 0.00 -0.40 0.00 0.00 41.96 40.50 1a8j s TYR 89 CO 0.09 0.30 -0.21 0.00 -1.57 0.00 0.00 175.55 174.15 1a8j n SER 91 N 2.73 2.25 0.00 0.00 2.88 0.13 0.12 113.62 121.73 1a8j n SER 91 Ca -0.16 -1.92 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 1a8j n SER 91 Cb 0.52 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1a8j n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1a8j n SER 92 N -1.48 0.00 -4.71 -3.46 2.88 -0.25 -3.49 113.62 103.11 1a8j n SER 92 Ca -0.06 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.06 1a8j n SER 92 Cb 0.28 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.71 1a8j n SER 92 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1a8j s TYR 93 N 0.00 2.80 0.00 0.66 5.04 -1.22 -1.44 117.35 123.18 1a8j s TYR 93 Ca 0.00 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 1a8j s TYR 93 Cb 0.00 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.23 1a8j s TYR 93 CO 0.00 -4.13 0.00 -1.91 -1.34 0.00 0.00 175.55 168.17 1a8j n GLU 94 N 4.36 3.52 0.00 4.97 2.13 0.61 -4.24 120.64 131.99 1a8j n GLU 94 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1a8j n GLU 94 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.08 1a8j n GLU 94 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a8j n GLY 95 N 5.00 0.87 3.32 8.31 0.00 -1.26 -4.61 105.19 116.82 1a8j n GLY 95 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1a8j n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a8j n SER 96 N 0.00 -0.59 -1.68 1.61 3.41 -1.26 -2.75 113.62 112.36 1a8j n SER 96 Ca 0.00 -1.52 -0.14 0.00 -0.26 0.00 0.00 58.87 56.96 1a8j n SER 96 Cb 0.00 -1.00 -0.04 0.00 -0.26 0.00 0.00 64.21 62.90 1a8j n SER 96 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1a8j n ASP 97 N 10.40 -3.77 -4.79 4.04 8.00 -1.26 -4.94 116.55 124.23 1a8j n ASP 97 Ca 0.30 0.29 -0.38 0.00 0.71 0.00 0.00 54.79 55.71 1a8j n ASP 97 Cb 0.41 -3.41 -0.06 0.00 -0.02 0.00 0.00 41.12 38.04 1a8j n ASP 97 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1a8j s ASN 98 N -2.12 6.75 -0.07 -2.24 0.01 -1.11 -4.97 114.94 111.19 1a8j s ASN 98 Ca 0.00 0.89 0.05 0.00 -0.71 0.00 0.00 52.86 53.09 1a8j s ASN 98 Cb 0.00 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.39 1a8j s ASN 98 CO 0.00 0.19 -0.24 -0.36 -1.51 0.00 0.00 177.10 175.18 1a8j s PHE 99 N -0.36 2.49 0.03 2.20 0.08 -1.26 0.22 117.98 121.39 1a8j s PHE 99 Ca 0.24 -0.81 0.08 0.00 0.12 0.00 0.00 56.93 56.56 1a8j s PHE 99 Cb -0.16 -1.64 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1a8j s PHE 99 CO 0.12 -0.27 -0.24 0.54 -0.10 0.00 0.00 175.22 175.26 1a8j s VAL 100 N -0.00 1.93 0.35 -0.44 0.11 -0.52 -4.93 120.40 116.89 1a8j s VAL 100 Ca -0.08 -1.25 0.08 0.00 -2.93 0.00 0.00 61.98 57.79 1a8j s VAL 100 Cb -0.15 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 1a8j s VAL 100 CO 0.05 0.34 0.19 -0.36 -3.33 0.00 0.00 175.10 172.00 1a8j s PHE 101 N -0.75 2.75 0.91 1.54 0.40 -1.25 -1.09 117.98 120.49 1a8j s PHE 101 Ca 0.10 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 55.91 1a8j s PHE 101 Cb -0.09 -1.72 0.17 0.00 0.51 0.00 0.00 43.02 41.89 1a8j s PHE 101 CO 0.01 0.27 1.27 0.20 0.70 0.00 0.00 175.22 177.68 1a8j s GLY 102 N -3.90 1.74 0.00 4.36 0.00 0.32 -0.74 107.32 109.11 1a8j s GLY 102 Ca 0.39 -1.11 0.27 0.00 0.00 0.00 0.00 44.72 44.27 1a8j s GLY 102 CO 0.24 -0.41 1.85 -1.30 0.00 0.00 0.00 173.10 173.48 1a8j n THR 103 N -3.62 0.04 0.00 0.90 -2.24 -1.21 -4.69 114.28 103.47 1a8j n THR 103 Ca 0.14 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1a8j n THR 103 Cb 0.60 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1a8j n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a8j n GLY 104 N 1.07 -0.58 2.95 3.38 0.00 -1.26 -4.93 105.19 105.82 1a8j n GLY 104 Ca 0.19 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1a8j n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8j s THR 105 N -2.93 -0.01 -0.36 2.61 2.01 -1.07 -3.71 115.64 112.17 1a8j s THR 105 Ca 0.00 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.06 1a8j s THR 105 Cb 0.00 -0.16 0.10 0.00 0.01 0.00 0.00 72.50 72.45 1a8j s THR 105 CO 0.00 0.02 0.11 -0.75 -0.69 0.00 0.00 174.62 173.31 1a8j s LYS 106 N 0.36 1.84 0.08 4.92 2.20 -1.25 -0.57 119.74 127.33 1a8j s LYS 106 Ca -0.03 -1.77 -0.24 0.00 -0.36 0.00 0.00 55.97 53.58 1a8j s LYS 106 Cb -0.04 -3.36 -0.06 0.00 -1.51 0.00 0.00 37.83 32.86 1a8j s LYS 106 CO -0.01 -0.95 0.72 0.08 -0.36 0.00 0.00 175.35 174.83 1a8j s VAL 107 N 1.05 4.63 -0.29 4.02 1.01 -0.69 -3.29 120.40 126.85 1a8j s VAL 107 Ca 0.07 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.63 1a8j s VAL 107 Cb -0.21 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.18 1a8j s VAL 107 CO -0.05 0.45 -0.02 0.42 0.00 0.00 0.00 175.10 175.89 1a8j s THR 108 N -0.58 1.95 -0.53 3.92 -4.23 -0.87 -2.81 115.64 112.50 1a8j s THR 108 Ca 0.35 -1.78 -0.27 0.00 -1.18 0.00 0.00 61.69 58.81 1a8j s THR 108 Cb -0.21 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.35 1a8j s THR 108 CO 0.23 -0.31 1.79 -0.69 -0.54 0.00 0.00 174.62 175.11 1a8j s VAL 109 N 1.14 3.44 0.83 2.29 1.01 -1.26 -3.32 120.40 124.53 1a8j s VAL 109 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1a8j s VAL 109 Cb -0.19 -3.91 0.10 0.00 0.00 0.00 0.00 36.38 32.37 1a8j s VAL 109 CO -0.08 -0.80 1.19 -0.76 0.00 0.00 0.00 175.10 174.66 1a8j s LEU 110 N 8.16 2.54 0.00 3.92 1.43 -0.72 -4.08 118.68 129.93 1a8j s LEU 110 Ca 0.69 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 1a8j s LEU 110 Cb -0.15 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.94 1a8j s LEU 110 CO 0.25 -2.02 0.00 0.61 0.23 0.00 0.00 176.35 175.42 1a8j n GLY 111 N -3.37 0.74 3.66 -3.19 0.00 -1.26 -3.80 105.19 97.97 1a8j n GLY 111 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1a8j n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a8j s GLN 112 N -0.06 4.12 0.25 1.61 -0.21 -1.26 -4.92 119.66 119.19 1a8j s GLN 112 Ca 0.00 2.34 -0.29 0.00 0.02 0.00 0.00 55.36 57.43 1a8j s GLN 112 Cb 0.00 -4.07 -0.15 0.00 1.00 0.00 0.00 33.01 29.79 1a8j s GLN 112 CO 0.00 -0.95 1.01 -2.30 -2.12 0.00 0.00 175.29 170.93 1a8j n PRO 113 N 7.37 1.18 -3.04 2.91 -0.02 -1.26 -4.95 135.00 137.20 1a8j n PRO 113 Ca 0.19 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.69 1a8j n PRO 113 Cb 0.42 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 1a8j n PRO 113 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1a8j s LYS 114 N -1.19 4.46 0.03 -0.52 2.20 -1.26 -4.84 119.74 118.62 1a8j s LYS 114 Ca 0.63 1.01 0.08 0.00 -0.36 0.00 0.00 55.97 57.33 1a8j s LYS 114 Cb -0.76 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.21 1a8j s LYS 114 CO 0.58 0.39 -0.24 0.00 -0.36 0.00 0.00 175.35 175.71 1a8j s ALA 115 N -0.41 2.07 0.12 3.13 0.00 0.43 -4.90 121.76 122.19 1a8j s ALA 115 Ca 0.36 -1.17 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1a8j s ALA 115 Cb -0.21 -0.44 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 1a8j s ALA 115 CO 0.23 0.49 0.55 -0.80 0.00 0.00 0.00 175.76 176.22 1a8j s ASN 116 N -1.10 6.89 1.06 0.00 -0.87 -1.26 -1.42 114.94 118.24 1a8j s ASN 116 Ca 0.10 1.13 -0.13 0.00 -1.57 0.00 0.00 52.86 52.38 1a8j s ASN 116 Cb -0.10 -2.31 0.22 0.00 -0.02 0.00 0.00 41.25 39.05 1a8j s ASN 116 CO 0.01 0.16 1.08 -2.16 -2.57 0.00 0.00 177.10 173.63 1a8j s PRO 117 N -1.67 -0.08 -0.39 -0.60 0.04 -1.26 -4.51 135.00 126.53 1a8j s PRO 117 Ca 0.35 0.47 0.02 0.00 0.04 0.00 0.00 61.00 61.88 1a8j s PRO 117 Cb -0.16 -1.68 0.11 0.00 0.04 0.00 0.00 34.50 32.81 1a8j s PRO 117 CO 0.19 -3.07 0.14 0.99 0.04 0.00 0.00 177.00 175.29 1a8j s THR 118 N -2.89 1.75 -0.12 1.26 2.01 -0.13 -4.95 115.64 112.57 1a8j s THR 118 Ca 0.67 -2.31 -0.26 0.00 0.31 0.00 0.00 61.69 60.09 1a8j s THR 118 Cb -0.19 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1a8j s THR 118 CO 0.59 -0.73 0.84 0.54 -0.69 0.00 0.00 174.62 175.17 1a8j s VAL 119 N 0.75 4.90 -0.18 3.82 0.11 -1.26 -3.06 120.40 125.49 1a8j s VAL 119 Ca 0.13 1.70 0.01 0.00 -2.93 0.00 0.00 61.98 60.89 1a8j s VAL 119 Cb -0.21 -4.16 0.02 0.00 -1.53 0.00 0.00 36.38 30.50 1a8j s VAL 119 CO -0.09 0.09 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.70 1a8j s THR 120 N 1.70 1.92 0.00 5.04 2.01 0.28 -4.92 115.64 121.67 1a8j s THR 120 Ca 0.41 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.44 1a8j s THR 120 Cb -0.18 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 1a8j s THR 120 CO 0.16 0.48 0.29 -0.76 -0.69 0.00 0.00 174.62 174.11 1a8j s LEU 121 N 1.34 4.39 -0.03 4.42 1.43 -1.26 0.29 118.68 129.25 1a8j s LEU 121 Ca 0.04 0.64 0.05 0.00 -1.03 0.00 0.00 54.13 53.83 1a8j s LEU 121 Cb -0.13 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 1a8j s LEU 121 CO -0.12 0.27 -0.17 -0.36 0.23 0.00 0.00 176.35 176.20 1a8j s PHE 122 N -1.25 1.63 0.12 0.29 0.40 -0.97 -4.98 117.98 113.22 1a8j s PHE 122 Ca 0.26 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 56.11 1a8j s PHE 122 Cb -0.14 -1.07 -0.06 0.00 0.51 0.00 0.00 43.02 42.26 1a8j s PHE 122 CO 0.14 -0.09 0.44 -1.25 0.70 0.00 0.00 175.22 175.16 1a8j s PRO 123 N -0.21 3.78 0.41 0.24 0.05 -1.26 -3.67 135.00 134.34 1a8j s PRO 123 Ca 0.02 0.20 -0.24 0.00 0.05 0.00 0.00 61.00 61.03 1a8j s PRO 123 Cb -0.09 -2.92 -0.12 0.00 0.05 0.00 0.00 34.50 31.43 1a8j s PRO 123 CO 0.01 0.50 0.80 -0.35 0.05 0.00 0.00 177.00 178.01 1a8j n PRO 124 N 0.63 0.96 -0.83 0.56 -0.04 -1.26 -4.92 135.00 130.11 1a8j n PRO 124 Ca -0.06 0.35 -0.34 0.00 -0.04 0.00 0.00 63.50 63.41 1a8j n PRO 124 Cb 0.52 -1.77 0.11 0.00 -0.04 0.00 0.00 33.50 32.31 1a8j n PRO 124 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1a8j n SER 125 N 0.87 -3.08 0.03 3.54 7.64 -1.26 -4.84 113.62 116.53 1a8j n SER 125 Ca 0.11 0.11 0.14 0.00 1.01 0.00 0.00 58.87 60.23 1a8j n SER 125 Cb 0.39 -0.94 0.51 0.00 -1.01 0.00 0.00 64.21 63.16 1a8j n SER 125 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1a8j n SER 126 N 0.22 0.30 -0.00 6.43 2.88 -1.26 -3.27 113.62 118.92 1a8j n SER 126 Ca 0.02 0.46 0.03 0.00 -1.33 0.00 0.00 58.87 58.05 1a8j n SER 126 Cb 0.60 -0.51 -0.05 0.00 -0.75 0.00 0.00 64.21 63.50 1a8j n SER 126 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1a8j n GLU 127 N -1.75 0.65 -0.09 -1.46 0.00 -1.26 -4.36 120.64 112.37 1a8j n GLU 127 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 1a8j n GLU 127 Cb 0.37 -1.12 -0.03 0.00 0.00 0.00 0.00 31.44 30.66 1a8j n GLU 127 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1a8j h GLU 128 N 0.00 0.46 0.00 3.44 4.22 -1.87 -1.64 114.58 119.18 1a8j h GLU 128 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.33 1a8j h GLU 128 Cb 0.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1a8j h GLU 128 CO 0.00 0.55 0.00 1.28 -2.18 0.00 0.00 179.01 178.66 1a8j n LEU 129 N -4.68 0.00 0.07 1.64 4.77 -1.19 -2.32 117.00 115.29 1a8j n LEU 129 Ca -0.03 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 1a8j n LEU 129 Cb 0.19 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 40.83 1a8j n LEU 129 CO 0.37 -0.10 -0.06 1.56 -1.33 0.00 0.00 177.39 177.82 1a8j h GLN 130 N 0.00 0.13 -0.64 3.23 1.08 -1.50 -3.20 115.11 114.21 1a8j h GLN 130 Ca 0.00 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1a8j h GLN 130 Cb 0.22 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1a8j h GLN 130 CO 0.00 1.05 0.00 0.00 -0.95 0.00 0.00 178.83 178.93 1a8j n ALA 131 N -2.48 2.96 -3.30 3.87 0.00 -1.05 -4.89 120.51 115.63 1a8j n ALA 131 Ca -0.07 -0.91 -0.15 0.00 0.00 0.00 0.00 53.44 52.31 1a8j n ALA 131 Cb 1.00 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 19.49 1a8j n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1a8j n ASN 132 N 0.45 -2.20 -4.19 0.00 2.85 -1.21 -5.02 115.26 105.95 1a8j n ASN 132 Ca 0.14 -0.57 -0.12 0.00 -0.11 0.00 0.00 54.58 53.93 1a8j n ASN 132 Cb 0.61 -4.72 -0.10 0.00 1.24 0.00 0.00 39.78 36.81 1a8j n ASN 132 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1a8j s LYS 133 N -5.20 1.17 -0.30 1.20 1.02 -0.98 -4.81 119.74 111.83 1a8j s LYS 133 Ca 0.02 -1.59 -0.12 0.00 0.02 0.00 0.00 55.97 54.30 1a8j s LYS 133 Cb -0.00 0.27 0.18 0.00 -0.52 0.00 0.00 37.83 37.76 1a8j s LYS 133 CO 0.67 -0.38 0.99 0.00 -0.92 0.00 0.00 175.35 175.71 1a8j s ALA 134 N -4.14 -3.28 -0.02 5.17 0.00 -1.26 -3.17 121.76 115.07 1a8j s ALA 134 Ca 0.36 1.50 0.02 0.00 0.00 0.00 0.00 51.96 53.85 1a8j s ALA 134 Cb 0.07 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 1a8j s ALA 134 CO 0.10 -1.43 -0.09 -0.08 0.00 0.00 0.00 175.76 174.27 1a8j s THR 135 N 2.93 0.73 -0.06 0.00 -1.32 -1.26 0.14 115.64 116.80 1a8j s THR 135 Ca 0.02 -0.35 -0.01 0.00 -1.21 0.00 0.00 61.69 60.13 1a8j s THR 135 Cb -0.11 -0.63 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 1a8j s THR 135 CO -0.12 0.22 0.03 -0.76 -2.21 0.00 0.00 174.62 171.78 1a8j s LEU 136 N 0.05 3.71 -0.10 9.08 1.43 0.19 -4.02 118.68 129.01 1a8j s LEU 136 Ca -0.01 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1a8j s LEU 136 Cb -0.06 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1a8j s LEU 136 CO 0.00 0.34 -0.16 0.54 0.23 0.00 0.00 176.35 177.31 1a8j s VAL 137 N -0.99 1.52 -0.52 -1.59 0.11 -1.24 0.16 120.40 117.84 1a8j s VAL 137 Ca 0.16 -0.67 -0.16 0.00 -2.93 0.00 0.00 61.98 58.39 1a8j s VAL 137 Cb -0.12 -1.38 0.11 0.00 -1.53 0.00 0.00 36.38 33.46 1a8j s VAL 137 CO 0.06 0.44 0.49 0.00 -3.33 0.00 0.00 175.10 172.76 1a8j s LEU 139 N 1.75 3.49 -0.25 0.00 2.96 0.14 -2.25 118.68 124.52 1a8j s LEU 139 Ca 0.05 -0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.57 1a8j s LEU 139 Cb -0.27 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 1a8j s LEU 139 CO 0.05 -1.59 0.26 -0.63 -1.32 0.00 0.00 176.35 173.12 1a8j s ILE 140 N 5.07 5.27 0.31 6.68 -1.09 0.43 -0.56 121.20 137.32 1a8j s ILE 140 Ca 0.37 0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 59.05 1a8j s ILE 140 Cb -0.09 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 1a8j s ILE 140 CO 0.19 0.26 0.56 -0.94 -1.23 0.00 0.00 174.94 173.78 1a8j s SER 141 N 1.37 0.24 -1.45 3.58 1.04 -1.17 0.32 113.70 117.63 1a8j s SER 141 Ca 0.11 -1.13 -0.11 0.00 0.48 0.00 0.00 55.95 55.30 1a8j s SER 141 Cb -0.15 0.68 0.05 0.00 0.10 0.00 0.00 66.02 66.70 1a8j s SER 141 CO 0.08 -1.33 1.03 0.47 0.98 0.00 0.00 173.24 174.48 1a8j n ASP 142 N -0.94 -4.99 -4.43 7.02 8.00 -0.30 -0.96 116.55 119.96 1a8j n ASP 142 Ca -0.02 -0.70 -0.21 0.00 0.71 0.00 0.00 54.79 54.56 1a8j n ASP 142 Cb 0.61 -4.31 -0.10 0.00 -0.02 0.00 0.00 41.12 37.30 1a8j n ASP 142 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1a8j s PHE 143 N -3.34 1.96 -0.26 1.24 -0.71 -1.06 -4.56 117.98 111.26 1a8j s PHE 143 Ca 0.57 -0.70 -0.26 0.00 -1.04 0.00 0.00 56.93 55.51 1a8j s PHE 143 Cb -0.28 -1.12 0.13 0.00 -1.21 0.00 0.00 43.02 40.54 1a8j s PHE 143 CO 0.79 0.28 1.04 -0.47 -1.34 0.00 0.00 175.22 175.53 1a8j s TYR 144 N -3.01 -0.44 0.10 3.49 6.14 -0.51 -0.58 117.35 122.55 1a8j s TYR 144 Ca 0.30 1.03 -0.01 0.00 0.64 0.00 0.00 57.07 59.02 1a8j s TYR 144 Cb 0.04 0.38 0.02 0.00 0.42 0.00 0.00 41.96 42.82 1a8j s TYR 144 CO 0.12 -0.24 0.05 -2.30 0.64 0.00 0.00 175.55 173.82 1a8j n PRO 145 N 1.93 -0.42 -1.12 4.97 -0.02 -1.26 0.16 135.00 139.24 1a8j n PRO 145 Ca -0.12 -0.08 -0.20 0.00 -2.02 0.00 0.00 63.50 61.08 1a8j n PRO 145 Cb 0.56 -0.15 0.18 0.00 -0.02 0.00 0.00 33.50 34.08 1a8j n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a8j n GLY 146 N -0.20 4.21 3.17 -1.23 0.00 -1.26 -4.83 105.19 105.05 1a8j n GLY 146 Ca 0.01 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 1a8j n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8j s ALA 147 N -3.03 1.61 0.15 4.61 0.00 -1.26 -4.71 121.76 119.14 1a8j s ALA 147 Ca 0.53 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 1a8j s ALA 147 Cb 0.44 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1a8j s ALA 147 CO 0.11 0.33 0.41 0.08 0.00 0.00 0.00 175.76 176.69 1a8j s VAL 148 N -0.17 0.06 -0.18 0.00 1.01 -1.26 -4.66 120.40 115.20 1a8j s VAL 148 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1a8j s VAL 148 Cb -0.10 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 34.89 1a8j s VAL 148 CO 0.01 -0.27 -0.08 -0.89 0.00 0.00 0.00 175.10 173.87 1a8j s THR 149 N -3.86 1.40 -0.19 3.92 2.01 -0.83 -4.99 115.64 113.11 1a8j s THR 149 Ca 0.07 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 1a8j s THR 149 Cb 0.01 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1a8j s THR 149 CO -0.07 0.17 0.08 -0.69 -0.69 0.00 0.00 174.62 173.42 1a8j s VAL 150 N 1.51 4.91 0.04 3.82 1.01 -1.25 -0.46 120.40 129.98 1a8j s VAL 150 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1a8j s VAL 150 Cb -0.16 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1a8j s VAL 150 CO -0.08 0.46 -0.07 0.00 0.00 0.00 0.00 175.10 175.40 1a8j s ALA 151 N 0.37 0.52 -0.01 5.51 0.00 0.43 -4.94 121.76 123.65 1a8j s ALA 151 Ca 0.04 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.30 1a8j s ALA 151 Cb -0.12 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1a8j s ALA 151 CO -0.00 -0.04 -0.18 -1.58 0.00 0.00 0.00 175.76 173.95 1a8j s TRP 152 N -1.44 1.60 0.12 0.00 0.52 -1.26 0.24 118.94 118.72 1a8j s TRP 152 Ca -0.10 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 55.74 1a8j s TRP 152 Cb -0.10 -1.02 -0.04 0.00 -1.15 0.00 0.00 33.47 31.16 1a8j s TRP 152 CO 0.00 -0.02 -0.09 0.15 0.02 0.00 0.00 176.95 177.01 1a8j s LYS 153 N -0.50 0.95 0.00 4.98 1.02 -0.92 -1.87 119.74 123.40 1a8j s LYS 153 Ca 0.07 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.71 1a8j s LYS 153 Cb -0.07 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.74 1a8j s LYS 153 CO -0.00 0.06 0.00 0.00 -0.92 0.00 0.00 175.35 174.48 1a8j n ALA 154 N 0.04 0.00 0.62 5.17 0.00 0.88 -2.64 120.51 124.58 1a8j n ALA 154 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.36 1a8j n ALA 154 Cb 0.60 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.29 1a8j n ALA 154 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a8j n ASP 155 N 0.00 0.00 0.00 0.00 9.92 -1.22 -4.21 116.55 121.04 1a8j n ASP 155 Ca 0.00 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 1a8j n ASP 155 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1a8j n ASP 155 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a8j n GLY 156 N -0.35 1.46 3.90 0.44 0.00 -1.26 -4.89 105.19 104.49 1a8j n GLY 156 Ca 0.06 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1a8j n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a8j s SER 157 N 0.00 6.41 0.21 1.61 0.01 -1.26 -4.98 113.70 115.70 1a8j s SER 157 Ca 0.00 0.41 -0.11 0.00 1.31 0.00 0.00 55.95 57.56 1a8j s SER 157 Cb 0.00 -2.03 -0.08 0.00 0.21 0.00 0.00 66.02 64.12 1a8j s SER 157 CO 0.00 0.24 0.05 -2.65 0.41 0.00 0.00 173.24 171.29 1a8j n PRO 158 N 0.88 0.00 0.00 12.44 -0.02 -1.26 -0.08 135.00 146.96 1a8j n PRO 158 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1a8j n PRO 158 Cb 0.52 -0.52 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1a8j n PRO 158 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1a8j n VAL 159 N -0.53 0.00 -0.88 -1.45 0.31 -0.78 -4.21 118.33 110.80 1a8j n VAL 159 Ca 0.06 -0.37 -0.33 0.00 -0.01 0.00 0.00 64.34 63.69 1a8j n VAL 159 Cb 0.21 0.98 -0.09 0.00 -0.91 0.00 0.00 33.84 34.03 1a8j n VAL 159 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1a8j n LYS 160 N -0.77 0.00 0.00 5.55 4.81 -1.23 -4.64 118.16 121.87 1a8j n LYS 160 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a8j n LYS 160 Cb 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1a8j n LYS 160 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a8j n ALA 161 N 5.71 0.00 -0.22 3.14 0.00 -1.26 -4.99 120.51 122.90 1a8j n ALA 161 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1a8j n ALA 161 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a8j n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8j n GLY 162 N 0.00 1.64 3.33 0.00 0.00 -1.26 -4.93 105.19 103.97 1a8j n GLY 162 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1a8j n GLY 162 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a8j s VAL 163 N -2.00 2.76 -0.14 1.61 -7.23 -1.26 -3.26 120.40 110.88 1a8j s VAL 163 Ca 0.00 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1a8j s VAL 163 Cb 0.00 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.83 1a8j s VAL 163 CO 0.00 0.54 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.56 1a8j s GLU 164 N 0.33 2.43 0.26 4.82 0.41 -1.02 -5.01 118.70 120.92 1a8j s GLU 164 Ca -0.13 -0.61 0.08 0.00 -0.41 0.00 0.00 54.97 53.90 1a8j s GLU 164 Cb -0.16 -2.15 -0.04 0.00 -1.78 0.00 0.00 34.13 30.00 1a8j s GLU 164 CO 0.07 -0.19 0.11 0.99 -0.49 0.00 0.00 175.26 175.75 1a8j s THR 165 N 1.32 3.93 0.23 3.63 2.01 -1.26 -1.47 115.64 124.03 1a8j s THR 165 Ca 0.02 -1.64 0.10 0.00 0.31 0.00 0.00 61.69 60.48 1a8j s THR 165 Cb -0.13 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1a8j s THR 165 CO -0.09 -0.35 -0.19 0.42 -0.69 0.00 0.00 174.62 173.72 1a8j s THR 166 N -2.23 2.19 0.76 -0.82 -4.23 -0.95 -4.99 115.64 105.37 1a8j s THR 166 Ca 0.33 -2.25 -0.14 0.00 -1.18 0.00 0.00 61.69 58.45 1a8j s THR 166 Cb -0.07 -2.15 0.05 0.00 1.34 0.00 0.00 72.50 71.67 1a8j s THR 166 CO 0.23 -0.40 1.19 -0.54 -0.54 0.00 0.00 174.62 174.56 1a8j s LYS 167 N -3.34 2.00 -0.11 3.99 1.02 -1.26 -4.62 119.74 117.42 1a8j s LYS 167 Ca 0.25 1.71 -0.28 0.00 0.02 0.00 0.00 55.97 57.67 1a8j s LYS 167 Cb -0.04 -1.82 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 1a8j s LYS 167 CO 0.11 -1.93 0.92 -1.25 -0.92 0.00 0.00 175.35 172.29 1a8j s PRO 168 N -4.05 4.41 -0.05 -1.68 0.05 -1.26 -4.75 135.00 127.66 1a8j s PRO 168 Ca 0.73 1.23 0.04 0.00 0.05 0.00 0.00 61.00 63.06 1a8j s PRO 168 Cb -0.28 -3.53 -0.02 0.00 0.05 0.00 0.00 34.50 30.72 1a8j s PRO 168 CO 0.47 -0.25 -0.18 0.45 0.05 0.00 0.00 177.00 177.55 1a8j s SER 169 N 1.07 3.72 0.69 6.66 0.15 -0.85 -4.89 113.70 120.26 1a8j s SER 169 Ca 0.45 -0.30 -0.17 0.00 0.70 0.00 0.00 55.95 56.63 1a8j s SER 169 Cb -0.18 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.31 1a8j s SER 169 CO 0.18 0.31 1.27 -0.54 1.20 0.00 0.00 173.24 175.65 1a8j s LYS 170 N -0.51 2.28 0.00 5.44 1.02 -1.26 -1.20 119.74 125.51 1a8j s LYS 170 Ca 0.07 1.97 0.00 0.00 0.02 0.00 0.00 55.97 58.02 1a8j s LYS 170 Cb -0.11 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1a8j s LYS 170 CO 0.01 -1.78 0.00 1.04 -0.92 0.00 0.00 175.35 173.70 1a8j n GLN 171 N -2.32 3.98 0.09 1.68 6.02 0.21 -4.82 117.38 122.23 1a8j n GLN 171 Ca 0.15 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.25 1a8j n GLN 171 Cb 0.49 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.73 1a8j n GLN 171 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1a8j n SER 172 N 0.00 0.80 -1.21 1.08 2.88 -1.26 -3.90 113.62 112.01 1a8j n SER 172 Ca 0.00 0.31 0.05 0.00 -1.33 0.00 0.00 58.87 57.91 1a8j n SER 172 Cb 0.00 0.52 0.24 0.00 -0.75 0.00 0.00 64.21 64.22 1a8j n SER 172 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1a8j n ASN 173 N -2.67 3.51 0.00 -3.46 0.23 -1.26 -4.91 115.26 106.70 1a8j n ASN 173 Ca -0.01 -2.40 0.00 0.00 -0.53 0.00 0.00 54.58 51.65 1a8j n ASN 173 Cb 0.57 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 1a8j n ASN 173 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1a8j n ASN 174 N 0.55 -5.23 -3.33 0.53 3.02 -1.25 -4.96 115.26 104.59 1a8j n ASN 174 Ca 0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.59 1a8j n ASN 174 Cb 0.70 -2.89 -0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1a8j n ASN 174 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1a8j n LYS 175 N 0.15 1.15 -4.19 3.52 4.01 -1.26 -4.82 118.16 116.72 1a8j n LYS 175 Ca 0.00 -1.65 -0.23 0.00 -0.51 0.00 0.00 58.31 55.92 1a8j n LYS 175 Cb 0.39 0.22 -0.06 0.00 -0.51 0.00 0.00 35.03 35.07 1a8j n LYS 175 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1a8j s TYR 176 N -1.37 2.80 0.25 2.13 1.51 0.25 0.68 117.35 123.60 1a8j s TYR 176 Ca 0.12 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1a8j s TYR 176 Cb -0.01 -1.37 -0.05 0.00 -0.11 0.00 0.00 41.96 40.42 1a8j s TYR 176 CO 0.08 0.52 0.08 0.00 -1.11 0.00 0.00 175.55 175.12 1a8j s ALA 177 N -2.30 1.74 0.00 3.71 0.00 -0.34 -1.15 121.76 123.41 1a8j s ALA 177 Ca 0.34 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1a8j s ALA 177 Cb -0.06 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1a8j s ALA 177 CO 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 175.76 175.55 1a8j n ALA 178 N -0.46 0.00 -2.48 0.00 0.00 0.15 -2.01 120.51 115.72 1a8j n ALA 178 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.17 1a8j n ALA 178 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 1a8j n ALA 178 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a8j s SER 179 N 0.00 4.38 -0.26 0.00 1.04 -1.26 -0.43 113.70 117.17 1a8j s SER 179 Ca 0.00 -1.19 -0.08 0.00 0.48 0.00 0.00 55.95 55.16 1a8j s SER 179 Cb 0.00 -0.24 0.12 0.00 0.10 0.00 0.00 66.02 66.00 1a8j s SER 179 CO 0.00 -0.65 0.56 -0.55 0.98 0.00 0.00 173.24 173.58 1a8j s SER 180 N -3.94 -0.81 0.10 7.02 0.15 -0.95 -2.23 113.70 113.04 1a8j s SER 180 Ca 0.36 1.31 0.09 0.00 0.70 0.00 0.00 55.95 58.40 1a8j s SER 180 Cb 0.03 1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 66.24 1a8j s SER 180 CO 0.20 -0.23 -0.18 -0.72 1.20 0.00 0.00 173.24 173.51 1a8j s TYR 181 N 2.79 2.53 -0.02 3.44 1.13 -0.54 0.11 117.35 126.79 1a8j s TYR 181 Ca -0.03 -0.26 0.04 0.00 -1.41 0.00 0.00 57.07 55.40 1a8j s TYR 181 Cb -0.12 -1.37 -0.03 0.00 -1.10 0.00 0.00 41.96 39.34 1a8j s TYR 181 CO -0.17 0.36 -0.11 -1.17 -2.51 0.00 0.00 175.55 171.95 1a8j s LEU 182 N -2.00 2.92 -0.30 -3.49 1.98 0.41 -2.44 118.68 115.76 1a8j s LEU 182 Ca 0.17 -0.19 -0.03 0.00 -2.89 0.00 0.00 54.13 51.19 1a8j s LEU 182 Cb -0.11 -1.65 0.04 0.00 0.66 0.00 0.00 46.19 45.13 1a8j s LEU 182 CO 0.09 0.31 0.02 -0.44 -1.89 0.00 0.00 176.35 174.44 1a8j s SER 183 N -1.08 4.88 0.00 3.68 0.01 -1.20 0.54 113.70 120.53 1a8j s SER 183 Ca 0.14 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1a8j s SER 183 Cb -0.11 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.37 1a8j s SER 183 CO 0.04 -0.24 0.00 0.18 0.41 0.00 0.00 173.24 173.63 1a8j n LEU 184 N 4.70 0.00 -3.69 2.44 4.77 0.37 -4.97 117.00 120.62 1a8j n LEU 184 Ca -0.14 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.70 1a8j n LEU 184 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1a8j n LEU 184 CO 0.28 0.00 0.18 0.42 -1.33 0.00 0.00 177.39 176.94 1a8j s THR 185 N 2.82 0.02 0.34 -5.08 -4.23 -1.26 -4.24 115.64 104.00 1a8j s THR 185 Ca 0.00 -0.15 0.12 0.00 -1.18 0.00 0.00 61.69 60.48 1a8j s THR 185 Cb 0.00 -0.72 0.35 0.00 1.34 0.00 0.00 72.50 73.47 1a8j s THR 185 CO 0.00 -0.08 1.61 -0.65 -0.54 0.00 0.00 174.62 174.96 1a8j h PRO 186 N 4.43 0.12 -0.15 3.99 0.11 -1.88 0.70 132.00 139.32 1a8j h PRO 186 Ca -0.28 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.62 1a8j h PRO 186 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1a8j h PRO 186 CO 0.30 0.08 -0.71 0.93 -0.21 0.00 0.00 178.00 178.39 1a8j h GLU 187 N 0.12 0.67 -0.02 1.05 3.07 -1.97 0.27 114.58 117.78 1a8j h GLU 187 Ca 0.72 -0.52 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1a8j h GLU 187 Cb 1.70 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.70 1a8j h GLU 187 CO -0.74 1.14 0.00 0.94 -1.40 0.00 0.00 179.01 178.95 1a8j n GLN 188 N -3.92 1.10 -0.03 2.33 7.27 0.20 -2.24 117.38 122.08 1a8j n GLN 188 Ca -0.06 -0.15 -0.04 0.00 0.07 0.00 0.00 57.00 56.82 1a8j n GLN 188 Cb 0.71 -1.32 -0.04 0.00 2.41 0.00 0.00 30.24 31.99 1a8j n GLN 188 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 1a8j n TRP 189 N -0.66 0.00 0.02 3.69 -0.00 0.14 -4.62 117.44 116.01 1a8j n TRP 189 Ca 0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.47 1a8j n TRP 189 Cb 0.10 -0.29 -0.12 0.00 -0.00 0.00 0.00 31.31 31.00 1a8j n TRP 189 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1a8j h LYS 190 N 0.00 0.38 -3.37 5.87 3.64 -0.43 -3.35 116.57 119.30 1a8j h LYS 190 Ca -0.17 -0.48 -0.42 0.00 -1.27 0.00 0.00 60.65 58.32 1a8j h LYS 190 Cb 1.30 0.15 0.02 0.00 -0.41 0.00 0.00 32.23 33.30 1a8j h LYS 190 CO -0.01 1.16 2.77 -1.13 -2.27 0.00 0.00 179.45 179.97 1a8j n SER 191 N -4.17 5.47 -0.64 4.20 3.41 -0.95 -4.72 113.62 116.22 1a8j n SER 191 Ca -0.12 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 1a8j n SER 191 Cb 0.74 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1a8j n SER 191 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1a8j n HIS 192 N 4.10 -0.63 0.00 7.33 8.25 -1.26 -4.97 115.22 128.05 1a8j n HIS 192 Ca 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1a8j n HIS 192 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1a8j n HIS 192 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1a8j n ARG 193 N 0.00 0.00 -3.58 -0.41 0.63 -1.26 -5.09 116.66 106.95 1a8j n ARG 193 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1a8j n ARG 193 Cb 0.00 -0.75 -0.06 0.00 0.45 0.00 0.00 32.46 32.11 1a8j n ARG 193 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1a8j s SER 194 N -3.55 -0.09 0.10 6.15 1.04 -1.26 -4.72 113.70 111.36 1a8j s SER 194 Ca 0.00 0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.60 1a8j s SER 194 Cb 0.00 1.05 -0.04 0.00 0.10 0.00 0.00 66.02 67.13 1a8j s SER 194 CO 0.00 -0.02 0.17 -0.31 0.98 0.00 0.00 173.24 174.06 1a8j s TYR 195 N 1.23 3.35 0.02 5.02 1.51 -0.97 -3.45 117.35 124.06 1a8j s TYR 195 Ca -0.07 0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1a8j s TYR 195 Cb -0.02 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1a8j s TYR 195 CO -0.11 0.54 0.00 -1.54 -1.11 0.00 0.00 175.55 173.34 1a8j s SER 196 N -2.70 0.20 -0.15 2.29 1.04 -1.08 0.73 113.70 114.04 1a8j s SER 196 Ca 0.32 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.29 1a8j s SER 196 Cb -0.12 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 1a8j s SER 196 CO 0.25 -0.32 -0.12 0.00 0.98 0.00 0.00 173.24 174.03 1a8j s GLN 198 N 0.60 3.50 -0.33 0.00 0.74 0.67 -3.02 119.66 121.82 1a8j s GLN 198 Ca -0.07 -0.59 0.04 0.00 0.05 0.00 0.00 55.36 54.79 1a8j s GLN 198 Cb -0.15 -2.91 0.10 0.00 1.10 0.00 0.00 33.01 31.14 1a8j s GLN 198 CO 0.03 0.05 0.03 0.08 -0.55 0.00 0.00 175.29 174.93 1a8j s VAL 199 N 0.84 2.21 -0.36 1.34 1.01 -0.89 0.16 120.40 124.71 1a8j s VAL 199 Ca -0.01 -2.23 -0.21 0.00 0.00 0.00 0.00 61.98 59.53 1a8j s VAL 199 Cb -0.15 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1a8j s VAL 199 CO 0.01 -0.54 0.68 -0.89 0.00 0.00 0.00 175.10 174.37 1a8j s THR 200 N 0.95 4.84 -0.15 3.92 2.01 0.40 -2.17 115.64 125.44 1a8j s THR 200 Ca 0.09 0.69 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1a8j s THR 200 Cb -0.19 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.24 1a8j s THR 200 CO -0.08 -0.34 -0.10 -2.28 -0.69 0.00 0.00 174.62 171.12 1a8j s HIS 201 N 2.82 1.95 -0.40 4.92 5.65 -0.79 -1.96 115.29 127.48 1a8j s HIS 201 Ca 0.27 -1.14 -0.35 0.00 0.25 0.00 0.00 55.06 54.09 1a8j s HIS 201 Cb -0.14 -1.46 0.05 0.00 -1.18 0.00 0.00 32.58 29.85 1a8j s HIS 201 CO 0.15 -0.63 0.59 -1.91 -0.65 0.00 0.00 174.74 172.29 1a8j n GLU 202 N 4.82 -1.73 -2.77 2.88 2.13 -1.26 -0.87 120.64 123.83 1a8j n GLU 202 Ca -0.14 1.33 -0.06 0.00 0.66 0.00 0.00 57.16 58.95 1a8j n GLU 202 Cb 0.49 -1.85 -0.01 0.00 0.27 0.00 0.00 31.44 30.33 1a8j n GLU 202 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a8j n GLY 203 N -0.03 -0.48 2.55 8.31 0.00 -1.26 -4.86 105.19 109.42 1a8j n GLY 203 Ca -0.08 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1a8j n GLY 203 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a8j s SER 204 N -2.16 3.52 0.10 1.61 0.15 -0.05 -5.12 113.70 111.75 1a8j s SER 204 Ca 0.12 -1.45 -0.24 0.00 0.70 0.00 0.00 55.95 55.08 1a8j s SER 204 Cb -0.07 -0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 63.76 1a8j s SER 204 CO 0.14 -0.42 0.74 -0.89 1.20 0.00 0.00 173.24 174.02 1a8j s THR 205 N 1.91 4.58 0.23 6.45 2.01 -1.26 -1.89 115.64 127.66 1a8j s THR 205 Ca 0.10 1.60 0.10 0.00 0.31 0.00 0.00 61.69 63.81 1a8j s THR 205 Cb -0.17 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1a8j s THR 205 CO -0.31 0.46 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.20 1a8j s VAL 206 N -0.66 2.16 -0.30 3.82 1.01 -0.92 -5.00 120.40 120.51 1a8j s VAL 206 Ca 0.36 -2.21 -0.07 0.00 0.00 0.00 0.00 61.98 60.06 1a8j s VAL 206 Cb -0.21 -2.12 0.19 0.00 0.00 0.00 0.00 36.38 34.23 1a8j s VAL 206 CO 0.24 -0.38 0.88 -0.70 0.00 0.00 0.00 175.10 175.14 1a8j s GLU 207 N -3.27 0.31 0.15 2.72 2.12 -1.26 -2.10 118.70 117.37 1a8j s GLU 207 Ca 0.24 0.44 0.03 0.00 0.36 0.00 0.00 54.97 56.04 1a8j s GLU 207 Cb -0.05 0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 1a8j s GLU 207 CO 0.11 -0.45 0.23 0.15 -0.54 0.00 0.00 175.26 174.76 1a8j s LYS 208 N 2.92 3.28 0.51 4.30 -0.14 -1.17 -4.95 119.74 124.48 1a8j s LYS 208 Ca 0.13 -0.66 0.03 0.00 -1.36 0.00 0.00 55.97 54.10 1a8j s LYS 208 Cb -0.09 -2.88 -0.01 0.00 -1.68 0.00 0.00 37.83 33.18 1a8j s LYS 208 CO -0.19 0.52 0.11 0.99 -0.76 0.00 0.00 175.35 176.02 1a8j s THR 209 N -1.72 1.39 -0.02 2.17 2.01 -1.26 -1.55 115.64 116.66 1a8j s THR 209 Ca 0.33 -1.86 -0.07 0.00 0.31 0.00 0.00 61.69 60.40 1a8j s THR 209 Cb -0.11 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1a8j s THR 209 CO 0.27 0.00 0.15 -0.69 -0.69 0.00 0.00 174.62 173.66 1a8j s VAL 210 N -2.83 0.06 0.03 3.82 1.01 0.22 -4.93 120.40 117.79 1a8j s VAL 210 Ca 0.16 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1a8j s VAL 210 Cb 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1a8j s VAL 210 CO 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 175.10 174.94 1a8j s ALA 211 N -0.96 0.14 0.10 5.51 0.00 -1.26 -2.28 121.76 123.01 1a8j s ALA 211 Ca -0.10 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 1a8j s ALA 211 Cb -0.06 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 1a8j s ALA 211 CO 0.01 -0.27 1.26 -2.14 0.00 0.00 0.00 175.76 174.62 1a8j s PRO 212 N -2.52 4.40 -0.10 0.00 0.02 -1.26 -5.02 135.00 130.52 1a8j s PRO 212 Ca -0.06 1.88 0.01 0.00 0.02 0.00 0.00 61.00 62.86 1a8j s PRO 212 Cb -0.02 -3.30 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 1a8j s PRO 212 CO -0.05 -0.29 -0.15 -0.08 -0.33 0.00 0.00 177.00 176.11 1a8j s THR 213 N 0.92 2.96 -0.58 0.99 -1.32 -1.26 -5.08 115.64 112.26 1a8j s THR 213 Ca 0.60 -0.72 -0.20 0.00 -1.21 0.00 0.00 61.69 60.16 1a8j s THR 213 Cb -0.32 -2.21 0.08 0.00 -1.51 0.00 0.00 72.50 68.54 1a8j s THR 213 CO 0.31 0.55 0.74 -1.61 -2.21 0.00 0.00 174.62 172.39 1a8j s GLU 214 N 0.02 3.09 0.00 7.08 0.41 -1.26 -4.29 118.70 123.75 1a8j s GLU 214 Ca -0.05 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.43 1a8j s GLU 214 Cb -0.14 -4.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.00 1a8j s GLU 214 CO 0.04 -1.51 0.00 0.00 -0.49 0.00 0.00 175.26 173.31