#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8h s SER 2 N 0.00 -0.50 0.01 1.08 1.04 -0.72 -4.95 113.70 109.65 1j8h s SER 2 Ca 0.00 -0.13 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 1j8h s SER 2 Cb 0.00 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 1j8h s SER 2 CO 0.00 -1.04 0.04 0.68 0.98 0.00 0.00 173.24 173.90 1j8h s VAL 3 N -3.78 0.08 0.00 5.02 -7.23 -1.26 -0.71 120.40 112.52 1j8h s VAL 3 Ca 0.03 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 1j8h s VAL 3 Cb -0.02 -0.29 -0.00 0.00 0.56 0.00 0.00 36.38 36.62 1j8h s VAL 3 CO -0.09 -0.38 -0.03 0.42 -0.31 0.00 0.00 175.10 174.71 1j8h s THR 4 N -1.19 0.25 -0.52 5.32 -4.23 -0.09 -4.64 115.64 110.54 1j8h s THR 4 Ca -0.13 -0.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.19 1j8h s THR 4 Cb -0.08 -0.24 0.13 0.00 1.34 0.00 0.00 72.50 73.66 1j8h s THR 4 CO 0.00 0.01 0.26 -1.10 -0.54 0.00 0.00 174.62 173.26 1j8h s GLN 5 N -0.23 1.96 -0.12 3.99 -0.21 -1.26 -1.71 119.66 122.07 1j8h s GLN 5 Ca -0.00 -2.61 -0.29 0.00 0.02 0.00 0.00 55.36 52.47 1j8h s GLN 5 Cb -0.02 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.66 1j8h s GLN 5 CO -0.00 -1.11 1.80 -1.17 -2.12 0.00 0.00 175.29 172.68 1j8h s LEU 6 N -0.29 4.05 0.00 2.90 2.96 -1.26 -4.36 118.68 122.68 1j8h s LEU 6 Ca 0.17 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1j8h s LEU 6 Cb -0.26 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1j8h s LEU 6 CO -0.00 -1.24 0.00 0.61 -1.32 0.00 0.00 176.35 174.40 1j8h n GLY 7 N 4.67 0.62 0.21 7.98 0.00 -1.26 -4.49 105.19 112.93 1j8h n GLY 7 Ca 0.20 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 1j8h n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j8h h SER 8 N 0.00 0.87 -3.22 1.61 0.02 -1.80 -3.42 113.55 107.61 1j8h h SER 8 Ca 0.00 -0.61 -0.61 0.00 -0.84 0.00 0.00 61.79 59.72 1j8h h SER 8 Cb 0.00 -0.26 -0.35 0.00 0.14 0.00 0.00 62.40 61.94 1j8h h SER 8 CO 0.00 1.34 -0.84 -1.00 -1.14 0.00 0.00 176.83 175.19 1j8h s HIS 9 N -3.81 2.21 -0.09 3.45 3.76 -1.26 0.25 115.29 119.80 1j8h s HIS 9 Ca -0.11 -1.10 0.02 0.00 -0.15 0.00 0.00 55.06 53.72 1j8h s HIS 9 Cb 0.08 -1.57 0.01 0.00 1.11 0.00 0.00 32.58 32.22 1j8h s HIS 9 CO 0.88 -0.55 -0.14 0.08 -0.85 0.00 0.00 174.74 174.17 1j8h s VAL 10 N 1.02 1.31 -0.15 -0.90 1.01 0.06 -4.94 120.40 117.81 1j8h s VAL 10 Ca -0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1j8h s VAL 10 Cb -0.15 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1j8h s VAL 10 CO -0.03 0.40 0.01 -0.44 0.00 0.00 0.00 175.10 175.04 1j8h s SER 11 N 0.85 5.26 -0.01 3.32 0.01 -1.26 -0.37 113.70 121.50 1j8h s SER 11 Ca -0.10 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.18 1j8h s SER 11 Cb -0.15 -1.81 0.01 0.00 0.21 0.00 0.00 66.02 64.27 1j8h s SER 11 CO 0.01 0.21 -0.02 -0.69 0.41 0.00 0.00 173.24 173.16 1j8h s VAL 12 N 0.12 0.23 0.38 3.43 1.01 0.07 -4.97 120.40 120.66 1j8h s VAL 12 Ca 0.02 -0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 1j8h s VAL 12 Cb -0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 36.38 35.91 1j8h s VAL 12 CO 0.02 0.09 0.92 -0.94 0.00 0.00 0.00 175.10 175.19 1j8h s SER 13 N 0.28 7.04 0.67 3.32 1.04 -1.26 -0.37 113.70 124.42 1j8h s SER 13 Ca -0.03 1.68 -0.17 0.00 0.48 0.00 0.00 55.95 57.91 1j8h s SER 13 Cb -0.05 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1j8h s SER 13 CO -0.01 -0.25 1.27 -1.83 0.98 0.00 0.00 173.24 173.41 1j8h s GLU 14 N -2.79 2.44 0.00 4.02 -1.05 -0.86 -2.11 118.70 118.35 1j8h s GLU 14 Ca 0.57 1.99 0.00 0.00 -0.15 0.00 0.00 54.97 57.38 1j8h s GLU 14 Cb -0.12 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 1j8h s GLU 14 CO 0.17 -1.66 0.00 0.41 0.95 0.00 0.00 175.26 175.13 1j8h n GLY 15 N 0.78 2.93 3.86 -3.83 0.00 -0.36 -4.83 105.19 103.75 1j8h n GLY 15 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1j8h n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j8h n ALA 16 N -0.18 -0.97 -2.71 4.61 0.00 -0.90 -4.35 120.51 116.01 1j8h n ALA 16 Ca 0.00 -1.80 -0.41 0.00 0.00 0.00 0.00 53.44 51.22 1j8h n ALA 16 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1j8h n ALA 16 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1j8h s LEU 17 N 0.00 4.33 -0.22 0.00 2.96 -1.21 -1.37 118.68 123.16 1j8h s LEU 17 Ca 0.72 1.43 -0.09 0.00 -0.22 0.00 0.00 54.13 55.97 1j8h s LEU 17 Cb -0.03 -3.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 1j8h s LEU 17 CO 0.50 -0.22 0.13 -0.69 -1.32 0.00 0.00 176.35 174.74 1j8h s VAL 18 N 1.07 5.15 -0.14 1.68 1.01 0.24 -4.96 120.40 124.45 1j8h s VAL 18 Ca 0.45 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.50 1j8h s VAL 18 Cb -0.19 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1j8h s VAL 18 CO 0.22 0.38 0.05 -0.22 0.00 0.00 0.00 175.10 175.54 1j8h s LEU 19 N 0.87 0.58 -0.22 3.92 2.96 -1.26 -1.75 118.68 123.78 1j8h s LEU 19 Ca 0.06 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1j8h s LEU 19 Cb -0.13 -0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.21 1j8h s LEU 19 CO 0.03 -0.29 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.91 1j8h s LEU 20 N 2.04 2.75 0.30 -0.68 1.02 0.21 -4.99 118.68 119.33 1j8h s LEU 20 Ca 0.02 -0.62 -0.28 0.00 0.02 0.00 0.00 54.13 53.27 1j8h s LEU 20 Cb -0.15 -1.63 -0.09 0.00 0.02 0.00 0.00 46.19 44.33 1j8h s LEU 20 CO -0.07 -0.05 1.04 -0.13 0.02 0.00 0.00 176.35 177.16 1j8h s ARG 21 N 1.37 4.57 -0.17 1.70 0.52 -1.26 -1.03 118.95 124.65 1j8h s ARG 21 Ca 0.04 1.62 -0.06 0.00 -0.52 0.00 0.00 55.73 56.81 1j8h s ARG 21 Cb -0.15 -3.01 0.08 0.00 0.52 0.00 0.00 34.95 32.39 1j8h s ARG 21 CO -0.07 0.20 0.34 0.00 0.02 0.00 0.00 175.30 175.79 1j8h s ASN 23 N 2.51 3.01 0.21 0.00 0.01 -0.70 -0.49 114.94 119.49 1j8h s ASN 23 Ca 0.00 -0.74 -0.00 0.00 -0.71 0.00 0.00 52.86 51.41 1j8h s ASN 23 Cb -0.12 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 1j8h s ASN 23 CO -0.11 0.12 0.10 -0.72 -1.51 0.00 0.00 177.10 174.98 1j8h s TYR 24 N -1.20 1.26 -0.04 2.20 -0.85 -0.80 -0.91 117.35 117.01 1j8h s TYR 24 Ca 0.12 -1.27 0.01 0.00 -0.52 0.00 0.00 57.07 55.41 1j8h s TYR 24 Cb -0.10 -0.67 0.02 0.00 0.38 0.00 0.00 41.96 41.59 1j8h s TYR 24 CO 0.06 -0.49 -0.04 -1.54 -1.52 0.00 0.00 175.55 172.02 1j8h s SER 25 N -3.20 0.83 -0.28 -0.18 1.04 0.11 -4.88 113.70 107.15 1j8h s SER 25 Ca 0.36 -0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.51 1j8h s SER 25 Cb 0.07 -0.41 0.08 0.00 0.10 0.00 0.00 66.02 65.86 1j8h s SER 25 CO 0.11 -0.06 0.68 -0.55 0.98 0.00 0.00 173.24 174.41 1j8h s SER 26 N 0.89 -0.92 -0.06 7.02 0.15 -1.26 -1.76 113.70 117.75 1j8h s SER 26 Ca -0.11 1.49 0.19 0.00 0.70 0.00 0.00 55.95 58.22 1j8h s SER 26 Cb -0.14 1.38 0.65 0.00 -1.71 0.00 0.00 66.02 66.19 1j8h s SER 26 CO 0.00 -0.24 1.54 -1.54 1.20 0.00 0.00 173.24 174.21 1j8h n SER 27 N 4.19 4.15 -3.99 5.45 3.41 -1.26 -4.92 113.62 120.65 1j8h n SER 27 Ca -0.20 -2.25 -0.08 0.00 -0.26 0.00 0.00 58.87 56.09 1j8h n SER 27 Cb 0.59 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.93 1j8h n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1j8h s VAL 28 N -1.53 0.18 -0.33 -3.33 0.11 -1.26 -5.09 120.40 109.15 1j8h s VAL 28 Ca 0.47 -1.54 -0.38 0.00 -2.93 0.00 0.00 61.98 57.60 1j8h s VAL 28 Cb 0.28 -1.47 -0.14 0.00 -1.53 0.00 0.00 36.38 33.53 1j8h s VAL 28 CO 0.26 -0.82 2.02 -2.65 -3.33 0.00 0.00 175.10 170.58 1j8h n PRO 29 N 0.03 1.02 -2.33 1.54 -0.02 -1.26 -4.89 135.00 129.08 1j8h n PRO 29 Ca -0.14 0.32 -0.37 0.00 -2.02 0.00 0.00 63.50 61.29 1j8h n PRO 29 Cb 0.62 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 1j8h n PRO 29 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1j8h s PRO 30 N 5.21 3.95 -0.15 0.52 0.02 -1.26 -4.79 135.00 138.50 1j8h s PRO 30 Ca 1.06 1.74 -0.04 0.00 0.02 0.00 0.00 61.00 63.78 1j8h s PRO 30 Cb -1.00 -2.53 0.05 0.00 0.02 0.00 0.00 34.50 31.04 1j8h s PRO 30 CO 0.57 -0.38 0.08 0.71 -0.33 0.00 0.00 177.00 177.65 1j8h s TYR 31 N -1.52 0.25 0.13 6.54 1.51 -1.13 -4.78 117.35 118.33 1j8h s TYR 31 Ca 0.60 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 56.45 1j8h s TYR 31 Cb -0.28 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1j8h s TYR 31 CO 0.34 -0.46 0.11 -0.51 -1.11 0.00 0.00 175.55 173.93 1j8h s LEU 32 N 2.12 3.81 0.02 -1.29 1.43 -1.17 -0.87 118.68 122.72 1j8h s LEU 32 Ca 0.02 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1j8h s LEU 32 Cb -0.15 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 1j8h s LEU 32 CO -0.08 0.11 -0.05 -0.36 0.23 0.00 0.00 176.35 176.21 1j8h s PHE 33 N -1.59 0.40 -0.19 0.29 0.40 0.13 -1.25 117.98 116.18 1j8h s PHE 33 Ca 0.30 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 1j8h s PHE 33 Cb -0.11 -0.25 0.03 0.00 0.51 0.00 0.00 43.02 43.19 1j8h s PHE 33 CO 0.23 -0.07 -0.18 -1.58 0.70 0.00 0.00 175.22 174.32 1j8h s TRP 34 N -0.83 2.78 0.13 0.36 0.52 -0.65 -0.06 118.94 121.20 1j8h s TRP 34 Ca -0.07 -1.71 0.07 0.00 0.02 0.00 0.00 56.10 54.41 1j8h s TRP 34 Cb -0.06 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1j8h s TRP 34 CO -0.00 -0.80 -0.02 0.71 0.02 0.00 0.00 176.95 176.85 1j8h s TYR 35 N 1.28 2.87 -0.00 -1.98 1.51 0.21 0.31 117.35 121.55 1j8h s TYR 35 Ca 0.03 -0.11 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 1j8h s TYR 35 Cb -0.14 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 1j8h s TYR 35 CO -0.11 0.49 -0.14 0.54 -1.11 0.00 0.00 175.55 175.21 1j8h s VAL 36 N -1.50 1.11 -0.47 0.71 0.11 0.51 -0.19 120.40 120.68 1j8h s VAL 36 Ca 0.26 -0.66 0.03 0.00 -2.93 0.00 0.00 61.98 58.67 1j8h s VAL 36 Cb -0.10 -0.94 0.13 0.00 -1.53 0.00 0.00 36.38 33.94 1j8h s VAL 36 CO 0.18 0.26 0.23 -1.58 -3.33 0.00 0.00 175.10 170.86 1j8h s GLN 37 N -0.46 1.64 0.61 1.54 0.74 0.53 -0.76 119.66 123.51 1j8h s GLN 37 Ca 0.05 -2.29 -0.18 0.00 0.05 0.00 0.00 55.36 52.99 1j8h s GLN 37 Cb -0.06 -2.91 -0.03 0.00 1.10 0.00 0.00 33.01 31.12 1j8h s GLN 37 CO -0.00 -1.11 1.17 0.71 -0.55 0.00 0.00 175.29 175.51 1j8h s TYR 38 N 0.10 2.46 0.19 1.67 2.02 -1.26 -2.85 117.35 119.68 1j8h s TYR 38 Ca 0.16 1.54 -0.31 0.00 -0.37 0.00 0.00 57.07 58.09 1j8h s TYR 38 Cb -0.25 -3.38 -0.16 0.00 -0.40 0.00 0.00 41.96 37.78 1j8h s TYR 38 CO -0.01 -2.01 0.95 -2.30 -1.57 0.00 0.00 175.55 170.61 1j8h n PRO 39 N -1.80 0.78 -2.99 -1.71 -0.02 -1.26 -1.85 135.00 126.15 1j8h n PRO 39 Ca 0.12 0.28 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 1j8h n PRO 39 Cb 0.50 -1.62 0.01 0.00 -0.02 0.00 0.00 33.50 32.38 1j8h n PRO 39 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1j8h n ASN 40 N 1.77 -5.05 -4.12 2.55 5.03 -1.26 -4.97 115.26 109.21 1j8h n ASN 40 Ca 0.15 -0.23 -0.09 0.00 0.87 0.00 0.00 54.58 55.28 1j8h n ASN 40 Cb 0.25 -4.14 -0.10 0.00 -1.02 0.00 0.00 39.78 34.77 1j8h n ASN 40 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1j8h s GLN 41 N -5.65 0.91 0.58 3.52 -0.21 -0.77 -5.16 119.66 112.88 1j8h s GLN 41 Ca 0.26 -1.38 -0.04 0.00 0.02 0.00 0.00 55.36 54.23 1j8h s GLN 41 Cb -0.13 0.25 0.02 0.00 1.00 0.00 0.00 33.01 34.16 1j8h s GLN 41 CO 0.32 -0.26 0.86 0.20 -2.12 0.00 0.00 175.29 174.30 1j8h s GLY 42 N -3.02 1.65 0.29 3.09 0.00 -1.26 -4.64 107.32 103.43 1j8h s GLY 42 Ca 0.21 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 43.72 1j8h s GLY 42 CO -0.00 -0.62 1.60 1.04 0.00 0.00 0.00 173.10 175.12 1j8h n LEU 43 N -2.52 4.38 -4.29 0.66 4.32 -1.26 -4.64 117.00 113.65 1j8h n LEU 43 Ca 0.05 1.15 -0.29 0.00 -0.02 0.00 0.00 56.01 56.90 1j8h n LEU 43 Cb 0.58 -1.60 -0.15 0.00 -1.62 0.00 0.00 43.42 40.64 1j8h n LEU 43 CO 0.50 0.16 -0.55 -1.10 -1.22 0.00 0.00 177.39 175.18 1j8h s GLN 44 N -0.51 1.78 -0.11 3.23 -0.21 0.06 -4.92 119.66 118.99 1j8h s GLN 44 Ca 0.64 -0.93 -0.30 0.00 0.02 0.00 0.00 55.36 54.79 1j8h s GLN 44 Cb -0.49 -1.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.67 1j8h s GLN 44 CO 0.49 0.49 1.28 -1.17 -2.12 0.00 0.00 175.29 174.25 1j8h s LEU 45 N -0.85 4.23 -0.14 2.90 0.20 -1.26 -0.36 118.68 123.40 1j8h s LEU 45 Ca 0.09 1.80 -0.13 0.00 0.69 0.00 0.00 54.13 56.59 1j8h s LEU 45 Cb -0.09 -3.55 -0.09 0.00 -0.43 0.00 0.00 46.19 42.03 1j8h s LEU 45 CO 0.00 -0.71 0.11 -0.07 -0.29 0.00 0.00 176.35 175.39 1j8h h LEU 46 N 9.13 0.00 -7.88 -0.68 3.38 -0.48 -3.47 115.31 115.31 1j8h h LEU 46 Ca -0.31 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 57.50 1j8h h LEU 46 Cb 1.13 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 1j8h h LEU 46 CO 0.93 0.88 0.33 -1.48 0.09 0.00 0.00 178.44 179.20 1j8h s LEU 47 N -8.24 -0.20 0.01 1.67 0.05 -1.18 -3.07 118.68 107.71 1j8h s LEU 47 Ca -0.14 -0.58 -0.16 0.00 0.05 0.00 0.00 54.13 53.30 1j8h s LEU 47 Cb 0.01 2.52 0.03 0.00 -2.05 0.00 0.00 46.19 46.70 1j8h s LEU 47 CO 0.32 -1.21 0.34 -1.59 -0.55 0.00 0.00 176.35 173.66 1j8h s LYS 48 N -3.53 0.76 -0.34 1.48 -2.85 -1.26 -1.64 119.74 112.36 1j8h s LYS 48 Ca 0.12 -0.29 -0.12 0.00 -1.00 0.00 0.00 55.97 54.67 1j8h s LYS 48 Cb -0.04 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 1j8h s LYS 48 CO 0.06 -0.23 0.22 -0.47 0.10 0.00 0.00 175.35 175.03 1j8h s TYR 49 N -1.86 3.22 -1.27 1.78 5.04 -0.38 -4.93 117.35 118.95 1j8h s TYR 49 Ca -0.10 -0.33 0.11 0.00 -2.44 0.00 0.00 57.07 54.32 1j8h s TYR 49 Cb -0.03 -2.46 0.17 0.00 0.35 0.00 0.00 41.96 40.00 1j8h s TYR 49 CO 0.01 -0.40 1.01 0.25 -1.34 0.00 0.00 175.55 175.08 1j8h n THR 50 N 5.08 0.36 -0.85 4.34 -2.24 -1.26 -3.06 114.28 116.65 1j8h n THR 50 Ca -0.13 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1j8h n THR 50 Cb 0.49 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1j8h n THR 50 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1j8h n SER 51 N 0.61 -0.21 0.23 3.42 3.41 -1.26 -4.87 113.62 114.95 1j8h n SER 51 Ca 0.09 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 1j8h n SER 51 Cb 0.34 -0.03 0.38 0.00 -0.26 0.00 0.00 64.21 64.64 1j8h n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j8h h ALA 52 N 0.00 0.97 -1.86 7.33 0.00 -1.97 -3.45 119.26 120.28 1j8h h ALA 52 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1j8h h ALA 52 Cb 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.55 1j8h h ALA 52 CO 0.00 0.13 0.26 0.00 0.00 0.00 0.00 179.25 179.63 1j8h s ALA 53 N -3.42 -1.84 0.19 0.00 0.00 -1.26 -5.05 121.76 110.37 1j8h s ALA 53 Ca 0.03 1.84 0.08 0.00 0.00 0.00 0.00 51.96 53.91 1j8h s ALA 53 Cb 0.08 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.25 1j8h s ALA 53 CO 0.63 -0.32 1.44 0.00 0.00 0.00 0.00 175.76 177.51 1j8h h THR 54 N 3.62 1.57 -3.61 0.00 1.03 -1.90 -3.41 112.91 110.20 1j8h h THR 54 Ca -0.28 -2.75 -0.70 0.00 -0.01 0.00 0.00 66.41 62.67 1j8h h THR 54 Cb 1.16 2.49 -0.25 0.00 -1.07 0.00 0.00 68.15 70.48 1j8h h THR 54 CO 0.14 0.79 -0.54 -0.22 -0.01 0.00 0.00 175.52 175.68 1j8h s LEU 55 N -7.20 4.54 -0.21 0.00 2.96 -1.26 -0.46 118.68 117.06 1j8h s LEU 55 Ca -0.01 -0.96 -0.08 0.00 -0.22 0.00 0.00 54.13 52.86 1j8h s LEU 55 Cb 0.11 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1j8h s LEU 55 CO 0.80 -0.35 0.09 -0.69 -1.32 0.00 0.00 176.35 174.88 1j8h s VAL 56 N 1.53 4.90 -0.21 1.68 1.01 0.31 -4.98 120.40 124.64 1j8h s VAL 56 Ca 0.02 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 1j8h s VAL 56 Cb -0.19 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1j8h s VAL 56 CO 0.06 0.41 0.11 -0.54 0.00 0.00 0.00 175.10 175.15 1j8h s LYS 57 N 0.70 4.07 0.07 2.72 1.02 -1.26 -1.29 119.74 125.76 1j8h s LYS 57 Ca 0.05 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 55.76 1j8h s LYS 57 Cb -0.13 -3.38 0.01 0.00 -0.52 0.00 0.00 37.83 33.80 1j8h s LYS 57 CO 0.02 0.20 0.06 0.41 -0.92 0.00 0.00 175.35 175.12 1j8h n GLY 58 N 3.80 2.89 3.90 -3.33 0.00 0.36 -4.96 105.19 107.86 1j8h n GLY 58 Ca -0.16 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.39 1j8h n GLY 58 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1j8h s ILE 59 N -0.22 2.03 -1.67 -0.61 -4.36 -1.18 -4.06 121.20 111.14 1j8h s ILE 59 Ca 0.04 -0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.40 1j8h s ILE 59 Cb -0.00 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.71 1j8h s ILE 59 CO 0.03 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.80 1j8h n ASN 60 N -3.28 -4.56 0.00 4.36 3.02 -1.26 -2.31 115.26 111.23 1j8h n ASN 60 Ca 0.08 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1j8h n ASN 60 Cb 0.61 -4.03 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 1j8h n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j8h n GLY 61 N -0.49 0.59 3.91 7.41 0.00 -1.26 -5.05 105.19 110.29 1j8h n GLY 61 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1j8h n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j8h s PHE 62 N -2.14 3.55 0.03 1.61 0.08 -0.98 -4.74 117.98 115.40 1j8h s PHE 62 Ca 0.00 0.77 -0.08 0.00 0.12 0.00 0.00 56.93 57.74 1j8h s PHE 62 Cb 0.00 -2.26 -0.00 0.00 -0.57 0.00 0.00 43.02 40.19 1j8h s PHE 62 CO 0.00 -0.21 0.15 -2.00 -0.10 0.00 0.00 175.22 173.06 1j8h s GLU 63 N -4.60 0.63 -0.18 0.44 2.12 0.00 -0.48 118.70 116.62 1j8h s GLU 63 Ca 0.47 -0.65 -0.15 0.00 0.36 0.00 0.00 54.97 54.99 1j8h s GLU 63 Cb -0.10 0.25 0.05 0.00 0.26 0.00 0.00 34.13 34.59 1j8h s GLU 63 CO 0.43 -0.17 0.47 0.00 -0.54 0.00 0.00 175.26 175.45 1j8h s ALA 64 N -2.43 -1.18 -0.18 6.30 0.00 -0.41 0.08 121.76 123.94 1j8h s ALA 64 Ca -0.06 1.41 -0.00 0.00 0.00 0.00 0.00 51.96 53.31 1j8h s ALA 64 Cb -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1j8h s ALA 64 CO -0.03 -0.24 -0.15 -2.00 0.00 0.00 0.00 175.76 173.34 1j8h s GLU 65 N 0.49 3.17 -0.18 0.00 2.12 -1.24 -0.53 118.70 122.53 1j8h s GLU 65 Ca -0.02 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 54.26 1j8h s GLU 65 Cb -0.04 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.66 1j8h s GLU 65 CO -0.02 -0.10 1.17 0.12 -0.54 0.00 0.00 175.26 175.88 1j8h s PHE 66 N 1.10 3.08 -0.50 5.30 5.36 0.39 -4.16 117.98 128.56 1j8h s PHE 66 Ca 0.00 1.21 0.04 0.00 -0.96 0.00 0.00 56.93 57.23 1j8h s PHE 66 Cb -0.14 -3.40 0.13 0.00 -0.34 0.00 0.00 43.02 39.26 1j8h s PHE 66 CO -0.05 -1.17 0.23 0.15 -1.46 0.00 0.00 175.22 172.92 1j8h s LYS 67 N 3.23 1.91 0.24 10.12 1.02 -0.44 -4.88 119.74 130.94 1j8h s LYS 67 Ca 0.51 -2.52 -0.05 0.00 0.02 0.00 0.00 55.97 53.92 1j8h s LYS 67 Cb -0.19 -3.29 0.43 0.00 -0.52 0.00 0.00 37.83 34.25 1j8h s LYS 67 CO 0.12 -1.09 1.74 -0.22 -0.92 0.00 0.00 175.35 174.98 1j8h h LYS 68 N 6.64 0.44 -0.86 1.68 3.64 -1.94 0.43 116.57 126.60 1j8h h LYS 68 Ca -0.07 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1j8h h LYS 68 Cb 0.91 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 1j8h h LYS 68 CO 0.67 0.29 0.57 0.66 -2.27 0.00 0.00 179.45 179.37 1j8h h SER 69 N 0.45 0.98 0.02 4.20 4.64 -1.97 -1.95 113.55 119.93 1j8h h SER 69 Ca 0.40 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1j8h h SER 69 Cb 0.58 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1j8h h SER 69 CO -0.38 0.71 -0.17 -0.62 -0.87 0.00 0.00 176.83 175.50 1j8h n GLU 70 N -4.41 1.67 -3.90 4.77 -0.58 -0.70 -4.95 120.64 112.53 1j8h n GLU 70 Ca 0.10 -1.26 -0.25 0.00 -0.42 0.00 0.00 57.16 55.33 1j8h n GLU 70 Cb 0.03 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 1j8h n GLU 70 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1j8h n THR 71 N 0.43 -3.30 -4.28 2.62 5.66 0.14 -4.90 114.28 110.66 1j8h n THR 71 Ca 0.13 -0.45 -0.16 0.00 -3.05 0.00 0.00 64.05 60.52 1j8h n THR 71 Cb 0.48 -2.92 -0.10 0.00 -1.55 0.00 0.00 70.33 66.24 1j8h n THR 71 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1j8h s SER 72 N -4.28 2.04 -0.43 1.09 1.04 -0.94 -1.90 113.70 110.32 1j8h s SER 72 Ca 0.06 -0.99 0.08 0.00 0.48 0.00 0.00 55.95 55.59 1j8h s SER 72 Cb -0.03 -0.05 0.32 0.00 0.10 0.00 0.00 66.02 66.35 1j8h s SER 72 CO 0.87 -0.26 0.93 0.33 0.98 0.00 0.00 173.24 176.08 1j8h n PHE 73 N -0.16 -1.67 -2.13 5.02 7.35 0.36 -1.33 117.46 124.90 1j8h n PHE 73 Ca -0.10 -2.79 -0.41 0.00 -0.76 0.00 0.00 57.45 53.39 1j8h n PHE 73 Cb 0.60 0.78 -0.03 0.00 0.35 0.00 0.00 39.48 41.18 1j8h n PHE 73 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1j8h s HIS 74 N -0.75 3.15 -0.14 -5.13 3.76 -1.26 -4.37 115.29 110.54 1j8h s HIS 74 Ca 0.30 1.17 -0.20 0.00 -0.15 0.00 0.00 55.06 56.18 1j8h s HIS 74 Cb 0.30 -3.69 -0.03 0.00 1.11 0.00 0.00 32.58 30.27 1j8h s HIS 74 CO -0.08 -2.17 0.57 -1.17 -0.85 0.00 0.00 174.74 171.05 1j8h s LEU 75 N -0.38 4.23 0.04 0.89 2.96 -0.20 -3.63 118.68 122.58 1j8h s LEU 75 Ca 0.57 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 55.36 1j8h s LEU 75 Cb -0.39 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.44 1j8h s LEU 75 CO 0.41 -0.13 -0.05 0.28 -1.32 0.00 0.00 176.35 175.55 1j8h s THR 76 N 1.18 0.35 -0.14 3.68 -1.32 0.11 -0.62 115.64 118.89 1j8h s THR 76 Ca 0.29 -1.29 -0.07 0.00 -1.21 0.00 0.00 61.69 59.40 1j8h s THR 76 Cb -0.16 -0.83 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 1j8h s THR 76 CO 0.12 -0.62 0.32 -0.75 -2.21 0.00 0.00 174.62 171.48 1j8h s LYS 77 N -2.34 0.30 0.09 7.08 2.20 -0.72 -0.82 119.74 125.53 1j8h s LYS 77 Ca -0.05 0.64 -0.22 0.00 -0.36 0.00 0.00 55.97 55.98 1j8h s LYS 77 Cb -0.04 -0.06 -0.13 0.00 -1.51 0.00 0.00 37.83 36.09 1j8h s LYS 77 CO -0.03 -0.16 1.68 -1.35 -0.36 0.00 0.00 175.35 175.13 1j8h h PRO 78 N 7.09 0.11 -4.79 4.03 0.11 -1.85 0.71 132.00 137.41 1j8h h PRO 78 Ca -0.38 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.05 1j8h h PRO 78 Cb 1.17 -0.02 -0.37 0.00 0.11 0.00 0.00 31.00 31.89 1j8h h PRO 78 CO 0.34 0.15 -0.79 0.45 -0.21 0.00 0.00 178.00 177.94 1j8h s SER 79 N -5.36 4.38 0.13 -2.05 0.15 -1.24 -3.33 113.70 106.37 1j8h s SER 79 Ca -0.13 -1.40 -0.31 0.00 0.70 0.00 0.00 55.95 54.80 1j8h s SER 79 Cb 0.06 -1.50 -0.09 0.00 -1.71 0.00 0.00 66.02 62.78 1j8h s SER 79 CO 0.68 -0.20 1.54 0.00 1.20 0.00 0.00 173.24 176.45 1j8h s ALA 80 N 1.13 3.71 0.01 5.45 0.00 -0.47 -4.70 121.76 126.89 1j8h s ALA 80 Ca -0.08 1.26 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1j8h s ALA 80 Cb -0.20 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 1j8h s ALA 80 CO -0.05 -0.81 -0.10 -1.58 0.00 0.00 0.00 175.76 173.21 1j8h s HIS 81 N 1.48 2.79 0.56 0.00 5.04 -1.26 -1.22 115.29 122.68 1j8h s HIS 81 Ca 0.69 -0.10 0.30 0.00 -1.54 0.00 0.00 55.06 54.41 1j8h s HIS 81 Cb -0.41 -1.57 1.46 0.00 0.04 0.00 0.00 32.58 32.10 1j8h s HIS 81 CO 0.31 0.33 1.90 0.52 -2.34 0.00 0.00 174.74 175.46 1j8h h MET 82 N 4.56 0.00 -0.24 2.88 2.86 -1.95 0.41 114.93 123.45 1j8h h MET 82 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1j8h h MET 82 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1j8h h MET 82 CO 0.52 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.36 1j8h n SER 83 N -4.03 0.77 -0.52 1.22 3.41 -1.26 -3.05 113.62 110.16 1j8h n SER 83 Ca 0.13 -2.02 0.12 0.00 -0.26 0.00 0.00 58.87 56.84 1j8h n SER 83 Cb 0.81 -0.15 0.10 0.00 -0.26 0.00 0.00 64.21 64.71 1j8h n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j8h n ASP 84 N -0.13 1.98 -4.62 4.04 8.00 0.14 -4.89 116.55 121.06 1j8h n ASP 84 Ca 0.04 -1.48 -0.43 0.00 0.71 0.00 0.00 54.79 53.63 1j8h n ASP 84 Cb 0.14 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1j8h n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j8h s ALA 85 N -2.39 3.05 0.01 2.24 0.00 -1.17 -4.83 121.76 118.66 1j8h s ALA 85 Ca 0.22 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 1j8h s ALA 85 Cb 0.19 -3.97 0.01 0.00 0.00 0.00 0.00 23.12 19.34 1j8h s ALA 85 CO 0.51 -2.32 0.10 0.00 0.00 0.00 0.00 175.76 174.06 1j8h n ALA 86 N 9.94 -0.28 -2.89 0.00 0.00 -1.00 -4.51 120.51 121.77 1j8h n ALA 86 Ca 0.25 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.28 1j8h n ALA 86 Cb 0.44 0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 1j8h n ALA 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1j8h s GLU 87 N -2.00 3.20 -0.08 0.00 2.12 -1.13 0.11 118.70 120.92 1j8h s GLU 87 Ca 0.02 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.74 1j8h s GLU 87 Cb -0.00 -2.63 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 1j8h s GLU 87 CO 0.00 0.35 -0.16 0.71 -0.54 0.00 0.00 175.26 175.62 1j8h s TYR 88 N 0.02 2.69 -0.07 5.30 2.02 0.20 -0.35 117.35 127.16 1j8h s TYR 88 Ca -0.03 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.24 1j8h s TYR 88 Cb -0.14 -1.71 -0.00 0.00 -0.40 0.00 0.00 41.96 39.71 1j8h s TYR 88 CO 0.04 -0.06 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.67 1j8h s PHE 89 N -0.17 2.32 -0.08 2.71 0.08 0.73 -0.64 117.98 122.92 1j8h s PHE 89 Ca -0.01 -0.82 -0.04 0.00 0.12 0.00 0.00 56.93 56.19 1j8h s PHE 89 Cb -0.13 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1j8h s PHE 89 CO 0.03 -0.30 0.10 0.00 -0.10 0.00 0.00 175.22 174.95 1j8h s ALA 91 N -1.05 0.15 0.09 0.00 0.00 0.92 0.15 121.76 122.02 1j8h s ALA 91 Ca 0.17 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1j8h s ALA 91 Cb -0.12 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1j8h s ALA 91 CO 0.07 -0.22 -0.19 0.54 0.00 0.00 0.00 175.76 175.95 1j8h s VAL 92 N -2.09 1.57 0.09 0.00 0.11 -0.39 0.22 120.40 119.91 1j8h s VAL 92 Ca -0.10 -1.47 -0.08 0.00 -2.93 0.00 0.00 61.98 57.40 1j8h s VAL 92 Cb -0.05 -1.44 -0.00 0.00 -1.53 0.00 0.00 36.38 33.36 1j8h s VAL 92 CO -0.03 -0.09 0.18 -0.55 -3.33 0.00 0.00 175.10 171.28 1j8h s SER 93 N -1.83 0.14 0.09 3.54 0.15 -0.05 -0.61 113.70 115.13 1j8h s SER 93 Ca 0.04 -0.67 0.23 0.00 0.70 0.00 0.00 55.95 56.25 1j8h s SER 93 Cb -0.10 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.56 1j8h s SER 93 CO 0.04 -0.72 0.99 -0.62 1.20 0.00 0.00 173.24 174.13 1j8h n GLU 94 N -0.05 0.43 -3.43 5.44 1.02 -1.26 -2.86 120.64 119.94 1j8h n GLU 94 Ca -0.15 0.02 -0.37 0.00 -0.02 0.00 0.00 57.16 56.64 1j8h n GLU 94 Cb 0.62 -1.67 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 1j8h n GLU 94 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1j8h s SER 95 N -4.48 6.83 0.50 1.62 1.04 -1.26 -4.93 113.70 113.02 1j8h s SER 95 Ca 0.01 1.02 0.33 0.00 0.48 0.00 0.00 55.95 57.80 1j8h s SER 95 Cb 0.13 -2.27 1.58 0.00 0.10 0.00 0.00 66.02 65.55 1j8h s SER 95 CO 0.80 0.22 2.00 -0.65 0.98 0.00 0.00 173.24 176.60 1j8h h PRO 96 N 4.15 0.00 -0.03 4.02 0.11 -1.93 -3.02 132.00 135.29 1j8h h PRO 96 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1j8h h PRO 96 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j8h h PRO 96 CO 0.64 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.62 1j8h n PHE 97 N -2.82 0.03 -2.34 0.65 0.99 -1.26 -4.94 117.46 107.78 1j8h n PHE 97 Ca -0.00 -0.06 -0.16 0.00 -0.00 0.00 0.00 57.45 57.22 1j8h n PHE 97 Cb 0.19 -0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.66 1j8h n PHE 97 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j8h n GLY 98 N 0.31 -0.31 0.80 1.37 0.00 -1.14 -4.88 105.19 101.34 1j8h n GLY 98 Ca 0.04 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1j8h n GLY 98 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j8h n ASN 99 N -1.16 2.66 -4.55 1.61 0.23 -1.26 -4.91 115.26 107.88 1j8h n ASN 99 Ca -0.19 -1.83 -0.24 0.00 -0.53 0.00 0.00 54.58 51.79 1j8h n ASN 99 Cb 0.65 0.13 -0.09 0.00 -2.08 0.00 0.00 39.78 38.38 1j8h n ASN 99 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1j8h s GLU 102 N -2.04 1.94 -0.08 -3.83 2.02 -1.26 -5.04 118.70 110.40 1j8h s GLU 102 Ca 0.24 -1.68 -0.30 0.00 0.02 0.00 0.00 54.97 53.26 1j8h s GLU 102 Cb 0.19 -1.90 -0.14 0.00 0.10 0.00 0.00 34.13 32.37 1j8h s GLU 102 CO 0.36 0.29 0.85 0.36 0.02 0.00 0.00 175.26 177.14 1j8h n LYS 103 N -0.77 0.00 -4.14 1.61 2.85 -1.26 -4.82 118.16 111.62 1j8h n LYS 103 Ca -0.05 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.87 1j8h n LYS 103 Cb 0.60 -1.07 -0.07 0.00 -0.65 0.00 0.00 35.03 33.84 1j8h n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1j8h s LEU 104 N 0.50 3.86 -0.27 -5.58 1.43 -1.26 -4.47 118.68 112.88 1j8h s LEU 104 Ca 0.67 0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1j8h s LEU 104 Cb -0.95 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1j8h s LEU 104 CO 0.45 0.31 0.04 -0.89 0.23 0.00 0.00 176.35 176.49 1j8h s THR 105 N -1.11 3.78 0.10 5.49 2.01 0.21 -4.95 115.64 121.18 1j8h s THR 105 Ca 0.20 -0.65 -0.15 0.00 0.31 0.00 0.00 61.69 61.40 1j8h s THR 105 Cb -0.12 -2.90 -0.07 0.00 0.01 0.00 0.00 72.50 69.43 1j8h s THR 105 CO 0.10 0.17 0.52 -0.36 -0.69 0.00 0.00 174.62 174.36 1j8h s PHE 106 N 1.49 3.66 0.98 4.92 0.40 -1.26 -1.26 117.98 126.91 1j8h s PHE 106 Ca 0.03 1.06 -0.15 0.00 -0.60 0.00 0.00 56.93 57.27 1j8h s PHE 106 Cb -0.16 -2.36 0.19 0.00 0.51 0.00 0.00 43.02 41.20 1j8h s PHE 106 CO 0.01 0.50 1.21 0.20 0.70 0.00 0.00 175.22 177.84 1j8h s GLY 107 N -1.52 1.66 0.10 4.36 0.00 0.12 -4.87 107.32 107.18 1j8h s GLY 107 Ca 0.34 -0.91 0.20 0.00 0.00 0.00 0.00 44.72 44.35 1j8h s GLY 107 CO 0.18 -0.20 1.63 -1.30 0.00 0.00 0.00 173.10 173.41 1j8h n THR 108 N -3.93 0.80 0.00 0.90 -2.24 -1.26 -4.76 114.28 103.79 1j8h n THR 108 Ca 0.12 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 1j8h n THR 108 Cb 0.60 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1j8h n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j8h n GLY 109 N 0.27 -2.09 3.00 3.38 0.00 -1.26 -5.03 105.19 103.46 1j8h n GLY 109 Ca 0.04 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 1j8h n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j8h s THR 110 N -3.46 0.95 -0.28 2.61 2.01 0.18 -4.56 115.64 113.10 1j8h s THR 110 Ca 0.00 -0.40 -0.17 0.00 0.31 0.00 0.00 61.69 61.43 1j8h s THR 110 Cb 0.00 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1j8h s THR 110 CO 0.00 0.31 0.46 -0.60 -0.69 0.00 0.00 174.62 174.09 1j8h s ARG 111 N 0.51 3.98 -0.32 4.92 6.06 0.14 0.62 118.95 134.86 1j8h s ARG 111 Ca -0.10 0.14 -0.13 0.00 -2.50 0.00 0.00 55.73 53.14 1j8h s ARG 111 Cb -0.13 -3.68 -0.03 0.00 0.06 0.00 0.00 34.95 31.18 1j8h s ARG 111 CO 0.02 -0.36 0.28 -1.17 -2.50 0.00 0.00 175.30 171.57 1j8h s LEU 112 N 2.22 4.30 -0.17 -0.88 2.96 0.31 -0.76 118.68 126.66 1j8h s LEU 112 Ca 0.18 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1j8h s LEU 112 Cb -0.16 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1j8h s LEU 112 CO 0.10 -0.21 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.01 1j8h s THR 113 N 1.86 3.94 -0.33 3.68 2.01 0.50 -2.36 115.64 124.95 1j8h s THR 113 Ca 0.09 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 1j8h s THR 113 Cb -0.17 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1j8h s THR 113 CO 0.11 0.47 0.25 -0.63 -0.69 0.00 0.00 174.62 174.13 1j8h s ILE 114 N 0.58 5.27 -0.24 1.82 -1.09 -1.26 -0.75 121.20 125.53 1j8h s ILE 114 Ca -0.02 -0.11 -0.22 0.00 -2.23 0.00 0.00 60.65 58.07 1j8h s ILE 114 Cb -0.14 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.02 1j8h s ILE 114 CO 0.02 0.01 0.69 -0.63 -1.23 0.00 0.00 174.94 173.80 1j8h s ILE 115 N 1.78 4.95 0.35 2.92 1.01 0.50 -4.90 121.20 127.80 1j8h s ILE 115 Ca 0.07 1.26 -0.16 0.00 0.00 0.00 0.00 60.65 61.83 1j8h s ILE 115 Cb -0.17 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 1j8h s ILE 115 CO 0.11 0.01 0.78 -2.16 0.00 0.00 0.00 174.94 173.67 1j8h s PRO 116 N 2.52 4.03 -0.44 2.79 0.04 -1.26 -2.02 135.00 140.66 1j8h s PRO 116 Ca 0.29 0.74 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 1j8h s PRO 116 Cb -0.15 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 32.03 1j8h s PRO 116 CO 0.08 0.11 0.98 0.54 0.04 0.00 0.00 177.00 178.75 1j8h s ASN 117 N -2.31 6.58 -0.58 6.66 4.22 -1.26 -4.62 114.94 123.63 1j8h s ASN 117 Ca 0.55 0.31 -0.28 0.00 -2.14 0.00 0.00 52.86 51.30 1j8h s ASN 117 Cb -0.10 -2.48 0.03 0.00 1.28 0.00 0.00 41.25 39.98 1j8h s ASN 117 CO 0.17 -1.05 1.22 -0.63 -2.04 0.00 0.00 177.10 174.76 1j8h s ILE 118 N 3.86 3.99 0.23 0.54 -1.09 -1.26 -4.88 121.20 122.58 1j8h s ILE 118 Ca 0.40 0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 59.68 1j8h s ILE 118 Cb -0.10 -4.71 0.02 0.00 -1.58 0.00 0.00 42.46 36.09 1j8h s ILE 118 CO 0.26 -1.34 1.62 1.56 -1.23 0.00 0.00 174.94 175.81 1j8h h GLN 119 N 9.68 0.61 -2.51 2.79 4.20 -1.93 -3.37 115.11 124.58 1j8h h GLN 119 Ca -0.25 -0.28 -0.60 0.00 0.06 0.00 0.00 58.65 57.58 1j8h h GLN 119 Cb 1.06 -0.01 -0.41 0.00 0.30 0.00 0.00 27.48 28.42 1j8h h GLN 119 CO 1.19 0.86 -0.71 0.09 -0.67 0.00 0.00 178.83 179.59 1j8h n ASN 120 N -4.07 2.45 -4.37 1.46 3.02 -1.26 -5.10 115.26 107.39 1j8h n ASN 120 Ca -0.01 -3.12 -0.36 0.00 -0.03 0.00 0.00 54.58 51.06 1j8h n ASN 120 Cb 0.47 -0.68 0.07 0.00 -0.61 0.00 0.00 39.78 39.03 1j8h n ASN 120 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1j8h n PRO 121 N 1.59 0.14 -2.53 3.52 -0.02 -1.26 -4.92 135.00 131.51 1j8h n PRO 121 Ca 0.25 0.08 -0.04 0.00 -2.02 0.00 0.00 63.50 61.77 1j8h n PRO 121 Cb 0.41 -1.63 0.06 0.00 -0.02 0.00 0.00 33.50 32.32 1j8h n PRO 121 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1j8h n ASP 122 N 0.36 -1.32 -2.36 2.55 4.64 -0.12 -5.04 116.55 115.25 1j8h n ASP 122 Ca 0.08 -1.94 -0.28 0.00 -1.38 0.00 0.00 54.79 51.26 1j8h n ASP 122 Cb 0.51 0.83 -0.03 0.00 -1.04 0.00 0.00 41.12 41.40 1j8h n ASP 122 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1j8h n PRO 123 N -0.65 0.00 -3.61 -0.67 -0.02 -1.18 -4.72 135.00 124.14 1j8h n PRO 123 Ca -0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.25 1j8h n PRO 123 Cb 0.74 -0.65 -0.06 0.00 -0.02 0.00 0.00 33.50 33.51 1j8h n PRO 123 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j8h s ALA 124 N -0.30 -1.99 -0.22 3.55 0.00 -1.01 -1.70 121.76 120.10 1j8h s ALA 124 Ca 0.40 1.74 0.02 0.00 0.00 0.00 0.00 51.96 54.11 1j8h s ALA 124 Cb -0.57 -1.17 0.05 0.00 0.00 0.00 0.00 23.12 21.42 1j8h s ALA 124 CO 0.30 -0.25 -0.12 0.08 0.00 0.00 0.00 175.76 175.77 1j8h s VAL 125 N -0.44 1.88 0.27 0.00 1.01 -1.01 -0.86 120.40 121.25 1j8h s VAL 125 Ca 0.02 -1.21 0.09 0.00 0.00 0.00 0.00 61.98 60.88 1j8h s VAL 125 Cb -0.03 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1j8h s VAL 125 CO -0.04 0.15 0.04 -0.31 0.00 0.00 0.00 175.10 174.95 1j8h s TYR 126 N 1.28 2.77 0.01 5.22 2.02 0.21 -4.51 117.35 124.36 1j8h s TYR 126 Ca -0.03 -0.21 0.05 0.00 -0.37 0.00 0.00 57.07 56.51 1j8h s TYR 126 Cb -0.17 -1.26 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1j8h s TYR 126 CO -0.08 0.58 -0.14 -1.14 -1.57 0.00 0.00 175.55 173.21 1j8h s GLN 127 N -3.72 2.31 0.31 -0.62 0.74 -1.26 0.37 119.66 117.78 1j8h s GLN 127 Ca 0.32 -0.85 0.07 0.00 0.05 0.00 0.00 55.36 54.95 1j8h s GLN 127 Cb -0.06 -2.33 -0.06 0.00 1.10 0.00 0.00 33.01 31.66 1j8h s GLN 127 CO 0.21 0.57 -0.05 -0.51 -0.55 0.00 0.00 175.29 174.97 1j8h s LEU 128 N -1.32 2.52 0.07 3.68 1.02 -0.83 -4.97 118.68 118.87 1j8h s LEU 128 Ca 0.15 -1.23 0.01 0.00 0.02 0.00 0.00 54.13 53.08 1j8h s LEU 128 Cb -0.11 -0.70 -0.04 0.00 0.02 0.00 0.00 46.19 45.37 1j8h s LEU 128 CO 0.05 -0.35 -0.05 -0.13 0.02 0.00 0.00 176.35 175.89 1j8h s ARG 129 N -3.72 0.70 0.00 1.70 0.52 -1.26 -3.92 118.95 112.97 1j8h s ARG 129 Ca 0.31 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 1j8h s ARG 129 Cb 0.05 -0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1j8h s ARG 129 CO 0.14 -0.05 0.00 0.45 0.02 0.00 0.00 175.30 175.86 1j8h n SER 133 N 0.22 0.00 -4.92 0.23 2.88 -1.26 -5.01 113.62 105.76 1j8h n SER 133 Ca -0.14 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.09 1j8h n SER 133 Cb 0.60 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 64.01 1j8h n SER 133 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1j8h s SER 134 N -0.04 6.34 0.00 -3.46 0.15 -1.26 -4.98 113.70 110.46 1j8h s SER 134 Ca 0.00 0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.91 1j8h s SER 134 Cb 0.00 -1.95 0.05 0.00 -1.71 0.00 0.00 66.02 62.42 1j8h s SER 134 CO 0.00 0.15 0.82 -0.90 1.20 0.00 0.00 173.24 174.51 1j8h n ASP 135 N 0.18 0.00 -4.83 5.45 5.75 -1.26 -4.79 116.55 117.05 1j8h n ASP 135 Ca -0.05 -1.54 -0.24 0.00 -0.01 0.00 0.00 54.79 52.95 1j8h n ASP 135 Cb 0.51 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.56 1j8h n ASP 135 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1j8h s LYS 136 N -2.00 2.35 -0.01 0.11 1.02 -1.26 -4.51 119.74 115.43 1j8h s LYS 136 Ca 0.01 -1.77 -0.00 0.00 0.02 0.00 0.00 55.97 54.23 1j8h s LYS 136 Cb 0.01 -2.15 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1j8h s LYS 136 CO 0.01 -0.26 0.02 -1.54 -0.92 0.00 0.00 175.35 172.67 1j8h s SER 137 N -4.07 0.00 0.08 2.83 1.04 -1.20 -5.00 113.70 107.38 1j8h s SER 137 Ca 0.42 0.04 0.10 0.00 0.48 0.00 0.00 55.95 56.99 1j8h s SER 137 Cb -0.00 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 1j8h s SER 137 CO 0.24 -0.04 -0.26 0.68 0.98 0.00 0.00 173.24 174.84 1j8h s VAL 138 N 0.32 2.25 -0.08 5.02 -7.23 -1.25 -3.34 120.40 116.09 1j8h s VAL 138 Ca -0.03 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1j8h s VAL 138 Cb -0.04 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1j8h s VAL 138 CO -0.01 0.26 -0.09 0.00 -0.31 0.00 0.00 175.10 174.95 1j8h s LEU 140 N -0.54 2.65 -0.33 0.00 2.96 0.16 -1.70 118.68 121.88 1j8h s LEU 140 Ca 0.08 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.44 1j8h s LEU 140 Cb -0.12 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.94 1j8h s LEU 140 CO 0.02 0.01 0.15 0.12 -1.32 0.00 0.00 176.35 175.33 1j8h s PHE 141 N 1.27 3.19 0.25 5.38 5.36 -0.79 0.67 117.98 133.32 1j8h s PHE 141 Ca 0.03 -0.84 -0.00 0.00 -0.96 0.00 0.00 56.93 55.16 1j8h s PHE 141 Cb -0.14 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 1j8h s PHE 141 CO -0.05 -0.56 0.24 -0.08 -1.46 0.00 0.00 175.22 173.31 1j8h s THR 142 N 1.55 0.00 -1.81 0.12 -1.32 -0.04 -1.14 115.64 113.00 1j8h s THR 142 Ca 0.03 -1.91 0.00 0.00 -1.21 0.00 0.00 61.69 58.60 1j8h s THR 142 Cb -0.18 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 1j8h s THR 142 CO 0.05 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.93 1j8h n ASP 143 N -0.73 -5.21 -4.88 8.08 8.00 -0.55 -2.40 116.55 118.86 1j8h n ASP 143 Ca 0.03 0.42 -0.30 0.00 0.71 0.00 0.00 54.79 55.65 1j8h n ASP 143 Cb 0.64 -4.21 -0.00 0.00 -0.02 0.00 0.00 41.12 37.53 1j8h n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1j8h s PHE 144 N -2.58 3.58 0.77 1.24 -0.12 -1.26 -0.95 117.98 118.67 1j8h s PHE 144 Ca 0.00 1.18 -0.11 0.00 -0.05 0.00 0.00 56.93 57.95 1j8h s PHE 144 Cb 0.00 -2.61 0.06 0.00 -0.63 0.00 0.00 43.02 39.83 1j8h s PHE 144 CO 0.00 -0.52 1.08 0.16 -0.05 0.00 0.00 175.22 175.89 1j8h s ASP 145 N -3.97 4.64 0.00 1.98 -4.77 -1.26 -4.47 116.67 108.81 1j8h s ASP 145 Ca 0.53 1.55 0.00 0.00 -3.30 0.00 0.00 52.55 51.33 1j8h s ASP 145 Cb -0.11 -2.31 0.00 0.00 -1.09 0.00 0.00 42.92 39.41 1j8h s ASP 145 CO 0.48 -1.91 1.03 -1.20 0.70 0.00 0.00 175.17 174.26 1j8h n SER 146 N -3.42 2.79 0.00 2.11 7.64 -1.26 -2.48 113.62 119.01 1j8h n SER 146 Ca 0.08 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.29 1j8h n SER 146 Cb 0.54 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1j8h n SER 146 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j8h n GLN 147 N 1.45 0.73 -2.67 1.43 6.02 -1.26 -5.04 117.38 118.04 1j8h n GLN 147 Ca 0.00 -0.04 -0.40 0.00 -0.01 0.00 0.00 57.00 56.55 1j8h n GLN 147 Cb 0.29 -0.31 -0.06 0.00 1.02 0.00 0.00 30.24 31.19 1j8h n GLN 147 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1j8h s THR 148 N -0.12 3.91 -0.08 5.09 2.01 -1.03 -5.03 115.64 120.38 1j8h s THR 148 Ca 0.00 1.91 0.04 0.00 0.31 0.00 0.00 61.69 63.95 1j8h s THR 148 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1j8h s THR 148 CO 0.00 0.44 -0.20 0.20 -0.69 0.00 0.00 174.62 174.37 1j8h s ASN 149 N -1.12 2.67 -0.24 3.53 0.01 -1.26 -5.02 114.94 113.51 1j8h s ASN 149 Ca 0.42 -0.47 -0.18 0.00 -0.71 0.00 0.00 52.86 51.93 1j8h s ASN 149 Cb -0.27 -1.16 -0.03 0.00 0.41 0.00 0.00 41.25 40.20 1j8h s ASN 149 CO 0.34 0.13 0.49 -0.69 -1.51 0.00 0.00 177.10 175.86 1j8h s VAL 150 N 0.37 5.10 0.55 1.60 1.01 -1.26 -4.87 120.40 122.90 1j8h s VAL 150 Ca -0.16 0.85 -0.06 0.00 0.00 0.00 0.00 61.98 62.61 1j8h s VAL 150 Cb -0.17 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1j8h s VAL 150 CO 0.07 0.13 0.87 -0.44 0.00 0.00 0.00 175.10 175.73 1j8h s SER 151 N 1.41 5.97 0.58 3.32 0.01 -1.26 -4.86 113.70 118.87 1j8h s SER 151 Ca 0.21 0.90 -0.16 0.00 1.31 0.00 0.00 55.95 58.22 1j8h s SER 151 Cb -0.15 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 1j8h s SER 151 CO 0.09 -0.83 1.04 0.00 0.41 0.00 0.00 173.24 173.95 1j8h s GLN 152 N -4.91 3.49 0.55 12.44 0.00 -1.26 -4.96 119.66 125.01 1j8h s GLN 152 Ca 0.51 1.11 -0.20 0.00 -0.00 0.00 0.00 55.36 56.78 1j8h s GLN 152 Cb -0.10 -2.06 -0.07 0.00 0.00 0.00 0.00 33.01 30.77 1j8h s GLN 152 CO 0.46 -0.66 0.83 -1.13 0.00 0.00 0.00 175.29 174.79 1j8h n SER 153 N -1.98 0.28 -0.01 12.60 3.41 -1.26 -4.89 113.62 121.77 1j8h n SER 153 Ca 0.08 0.84 0.13 0.00 -0.26 0.00 0.00 58.87 59.65 1j8h n SER 153 Cb 0.53 -1.31 0.36 0.00 -0.26 0.00 0.00 64.21 63.53 1j8h n SER 153 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1j8h n LYS 154 N -0.41 0.03 -4.90 4.33 0.00 -1.26 -4.81 118.16 111.14 1j8h n LYS 154 Ca 0.12 -0.01 -0.31 0.00 -0.00 0.00 0.00 58.31 58.11 1j8h n LYS 154 Cb 0.45 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.84 1j8h n LYS 154 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1j8h s ASP 155 N -2.98 3.59 0.00 -5.58 3.68 -1.26 -5.02 116.67 109.09 1j8h s ASP 155 Ca 0.12 -0.41 0.28 0.00 2.13 0.00 0.00 52.55 54.68 1j8h s ASP 155 Cb 0.18 -0.55 1.11 0.00 -1.45 0.00 0.00 42.92 42.21 1j8h s ASP 155 CO 0.65 0.29 1.83 -1.54 0.13 0.00 0.00 175.17 176.53 1j8h n SER 156 N 1.96 0.15 -0.95 -0.34 3.41 -1.26 -3.01 113.62 113.58 1j8h n SER 156 Ca -0.16 0.17 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1j8h n SER 156 Cb 0.52 -0.28 0.24 0.00 -0.26 0.00 0.00 64.21 64.43 1j8h n SER 156 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j8h n ASP 157 N -1.42 3.74 -4.11 4.04 8.00 -1.26 -4.91 116.55 120.63 1j8h n ASP 157 Ca 0.08 -2.54 -0.30 0.00 0.71 0.00 0.00 54.79 52.74 1j8h n ASP 157 Cb 0.32 -0.44 -0.17 0.00 -0.02 0.00 0.00 41.12 40.82 1j8h n ASP 157 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1j8h s VAL 158 N -1.98 1.73 -0.17 2.53 1.01 -1.16 -4.58 120.40 117.78 1j8h s VAL 158 Ca 0.37 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1j8h s VAL 158 Cb 0.26 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1j8h s VAL 158 CO 0.14 0.49 0.05 -0.31 0.00 0.00 0.00 175.10 175.47 1j8h s TYR 159 N 0.87 3.23 -0.09 5.22 1.51 -0.66 -4.69 117.35 122.74 1j8h s TYR 159 Ca -0.08 0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.02 1j8h s TYR 159 Cb -0.15 -2.04 0.03 0.00 -0.11 0.00 0.00 41.96 39.68 1j8h s TYR 159 CO -0.01 0.17 -0.03 0.42 -1.11 0.00 0.00 175.55 174.99 1j8h s ILE 160 N 0.24 0.65 0.91 2.71 1.01 -1.26 -0.92 121.20 124.53 1j8h s ILE 160 Ca 0.03 -0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.48 1j8h s ILE 160 Cb -0.12 -0.74 0.15 0.00 0.01 0.00 0.00 42.46 41.75 1j8h s ILE 160 CO 0.01 0.30 1.24 0.42 0.00 0.00 0.00 174.94 176.91 1j8h s THR 161 N 1.82 1.98 0.77 2.92 -4.23 -0.28 -4.72 115.64 113.89 1j8h s THR 161 Ca 0.04 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.46 1j8h s THR 161 Cb -0.12 -2.96 0.09 0.00 1.34 0.00 0.00 72.50 70.84 1j8h s THR 161 CO -0.06 0.00 1.10 -1.81 -0.54 0.00 0.00 174.62 173.31 1j8h s ASP 162 N -4.65 4.48 0.26 3.99 1.01 -1.26 -4.54 116.67 115.96 1j8h s ASP 162 Ca 0.68 0.49 -0.24 0.00 0.71 0.00 0.00 52.55 54.19 1j8h s ASP 162 Cb -0.08 -1.00 -0.09 0.00 1.01 0.00 0.00 42.92 42.76 1j8h s ASP 162 CO 0.51 -1.85 0.85 -1.59 0.21 0.00 0.00 175.17 173.30 1j8h s LYS 163 N -5.42 4.50 0.10 8.23 -2.85 -1.26 -4.58 119.74 118.46 1j8h s LYS 163 Ca 0.63 1.17 0.02 0.00 -1.00 0.00 0.00 55.97 56.79 1j8h s LYS 163 Cb -0.10 -2.94 -0.04 0.00 -2.06 0.00 0.00 37.83 32.69 1j8h s LYS 163 CO 0.47 0.39 -0.07 0.99 0.10 0.00 0.00 175.35 177.23 1j8h s THR 164 N -1.47 0.70 -0.03 3.79 2.01 -0.19 -4.92 115.64 115.53 1j8h s THR 164 Ca 0.45 -1.93 0.01 0.00 0.31 0.00 0.00 61.69 60.53 1j8h s THR 164 Cb -0.19 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1j8h s THR 164 CO 0.24 -0.87 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.59 1j8h s VAL 165 N -3.60 3.99 0.04 3.82 1.01 -1.26 -0.81 120.40 123.59 1j8h s VAL 165 Ca 0.12 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1j8h s VAL 165 Cb 0.05 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1j8h s VAL 165 CO -0.05 0.47 -0.17 -1.48 0.00 0.00 0.00 175.10 173.88 1j8h s LEU 166 N -1.23 2.17 -0.15 3.92 0.05 -0.73 -5.01 118.68 117.69 1j8h s LEU 166 Ca 0.16 -0.48 0.00 0.00 0.05 0.00 0.00 54.13 53.87 1j8h s LEU 166 Cb -0.11 -0.77 0.02 0.00 -2.05 0.00 0.00 46.19 43.28 1j8h s LEU 166 CO 0.06 0.09 -0.15 -0.62 -0.55 0.00 0.00 176.35 175.19 1j8h s ASP 167 N -1.14 2.77 -0.95 1.48 2.15 -1.26 -2.34 116.67 117.39 1j8h s ASP 167 Ca 0.04 -0.52 -0.16 0.00 0.43 0.00 0.00 52.55 52.34 1j8h s ASP 167 Cb -0.08 -1.23 0.16 0.00 -0.30 0.00 0.00 42.92 41.47 1j8h s ASP 167 CO 0.01 -0.05 1.08 -0.04 -0.17 0.00 0.00 175.17 176.00 1j8h s MET 168 N 1.45 3.69 0.18 4.34 -1.94 -0.01 -4.90 119.30 122.11 1j8h s MET 168 Ca 0.05 -2.11 -0.16 0.00 -1.71 0.00 0.00 55.69 51.76 1j8h s MET 168 Cb -0.13 -4.80 0.13 0.00 2.01 0.00 0.00 34.83 32.04 1j8h s MET 168 CO -0.11 -1.63 1.65 0.00 -0.01 0.00 0.00 175.02 174.92 1j8h h ARG 169 N 8.26 -0.02 -0.95 2.03 3.08 -1.97 -2.00 114.38 122.81 1j8h h ARG 169 Ca 0.17 0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.44 1j8h h ARG 169 Cb 1.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.98 1j8h h ARG 169 CO 1.03 -0.01 0.63 0.66 -1.07 0.00 0.00 179.97 181.21 1j8h h SER 170 N -0.02 0.39 -0.46 7.04 4.64 -1.96 -1.89 113.55 121.29 1j8h h SER 170 Ca 0.22 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1j8h h SER 170 Cb 0.35 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1j8h h SER 170 CO -0.48 0.13 0.00 0.23 -0.87 0.00 0.00 176.83 175.84 1j8h n MET 171 N -4.52 2.69 -4.06 4.77 2.81 -0.86 -4.98 117.12 112.98 1j8h n MET 171 Ca 0.21 -2.23 -0.32 0.00 -1.81 0.00 0.00 57.70 53.56 1j8h n MET 171 Cb 0.77 -1.38 -0.01 0.00 -0.71 0.00 0.00 33.22 31.90 1j8h n MET 171 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1j8h n ASP 172 N 0.96 -3.14 -4.32 7.83 -0.08 -0.71 -4.95 116.55 112.13 1j8h n ASP 172 Ca 0.16 -0.93 -0.27 0.00 -1.51 0.00 0.00 54.79 52.24 1j8h n ASP 172 Cb 0.50 -3.22 -0.14 0.00 2.34 0.00 0.00 41.12 40.60 1j8h n ASP 172 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1j8h s PHE 173 N -3.43 2.06 0.03 -0.67 5.36 -1.04 -5.03 117.98 115.25 1j8h s PHE 173 Ca 0.55 -0.39 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 1j8h s PHE 173 Cb -0.29 -1.18 -0.02 0.00 -0.34 0.00 0.00 43.02 41.19 1j8h s PHE 173 CO 0.89 0.19 -0.06 0.15 -1.46 0.00 0.00 175.22 174.93 1j8h s LYS 174 N -1.58 0.43 0.01 10.12 1.02 -1.26 -0.83 119.74 127.64 1j8h s LYS 174 Ca 0.10 -0.69 -0.14 0.00 0.02 0.00 0.00 55.97 55.26 1j8h s LYS 174 Cb -0.10 -0.10 0.02 0.00 -0.52 0.00 0.00 37.83 37.13 1j8h s LYS 174 CO 0.03 0.00 0.29 -1.54 -0.92 0.00 0.00 175.35 173.22 1j8h s SER 175 N -1.53 -0.14 0.06 2.83 1.04 -0.99 -4.93 113.70 110.04 1j8h s SER 175 Ca -0.13 -0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.27 1j8h s SER 175 Cb -0.10 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1j8h s SER 175 CO -0.00 -0.50 0.09 0.20 0.98 0.00 0.00 173.24 174.01 1j8h s ASN 176 N -1.61 5.65 0.20 7.02 0.02 -1.26 -1.77 114.94 123.19 1j8h s ASN 176 Ca -0.10 0.05 -0.21 0.00 -1.02 0.00 0.00 52.86 51.58 1j8h s ASN 176 Cb -0.04 -1.57 0.04 0.00 0.02 0.00 0.00 41.25 39.71 1j8h s ASN 176 CO 0.01 0.19 0.62 -0.94 0.02 0.00 0.00 177.10 177.00 1j8h s SER 177 N -2.27 -0.40 0.05 -1.22 1.04 0.01 -1.48 113.70 109.43 1j8h s SER 177 Ca 0.29 -0.30 -0.10 0.00 0.48 0.00 0.00 55.95 56.32 1j8h s SER 177 Cb -0.12 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1j8h s SER 177 CO 0.21 -1.10 0.21 0.00 0.98 0.00 0.00 173.24 173.54 1j8h s ALA 178 N -3.83 -0.37 -0.02 5.32 0.00 -0.30 -1.02 121.76 121.54 1j8h s ALA 178 Ca 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.73 1j8h s ALA 178 Cb -0.02 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1j8h s ALA 178 CO -0.05 -0.40 -0.11 0.08 0.00 0.00 0.00 175.76 175.28 1j8h s VAL 179 N -2.88 0.91 0.07 0.00 1.01 -1.26 -1.88 120.40 116.38 1j8h s VAL 179 Ca -0.03 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1j8h s VAL 179 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1j8h s VAL 179 CO -0.06 0.27 -0.22 0.00 0.00 0.00 0.00 175.10 175.10 1j8h s ALA 180 N 0.02 1.86 0.14 5.51 0.00 -0.69 -1.13 121.76 127.47 1j8h s ALA 180 Ca -0.01 -1.18 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 1j8h s ALA 180 Cb -0.08 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1j8h s ALA 180 CO 0.00 0.40 0.53 1.67 0.00 0.00 0.00 175.76 178.36 1j8h s TRP 181 N -0.96 -0.42 0.14 0.00 -2.14 -0.10 -0.05 118.94 115.41 1j8h s TRP 181 Ca 0.08 0.19 -0.24 0.00 2.66 0.00 0.00 56.10 58.79 1j8h s TRP 181 Cb -0.09 0.44 0.08 0.00 -3.10 0.00 0.00 33.47 30.80 1j8h s TRP 181 CO 0.03 -0.78 1.08 0.45 -2.66 0.00 0.00 176.95 175.07 1j8h s SER 182 N -2.70 -0.03 0.00 -2.66 0.15 -1.21 -1.66 113.70 105.59 1j8h s SER 182 Ca 0.01 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1j8h s SER 182 Cb 0.00 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1j8h s SER 182 CO -0.12 -0.83 0.62 -0.46 1.20 0.00 0.00 173.24 173.65 1j8h n ASN 183 N -1.02 0.99 -4.77 5.45 6.94 -1.26 -3.20 115.26 118.38 1j8h n ASN 183 Ca -0.03 -1.38 -0.37 0.00 -0.02 0.00 0.00 54.58 52.78 1j8h n ASN 183 Cb 0.60 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.00 1j8h n ASN 183 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1j8h s LYS 184 N -0.38 3.92 0.09 -3.83 1.02 -1.26 -4.95 119.74 114.35 1j8h s LYS 184 Ca 0.00 1.70 -0.18 0.00 0.02 0.00 0.00 55.97 57.51 1j8h s LYS 184 Cb 0.00 -2.48 -0.08 0.00 -0.52 0.00 0.00 37.83 34.76 1j8h s LYS 184 CO 0.00 -0.40 1.52 0.66 -0.92 0.00 0.00 175.35 176.21 1j8h h SER 185 N 2.25 0.46 0.14 2.83 4.64 -2.00 -2.85 113.55 119.02 1j8h h SER 185 Ca -0.49 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 1j8h h SER 185 Cb 1.24 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1j8h h SER 185 CO 0.61 0.67 0.00 -2.24 -0.87 0.00 0.00 176.83 175.00 1j8h h ASP 186 N 0.25 0.00 -2.45 4.97 2.03 -2.03 -3.42 116.42 115.77 1j8h h ASP 186 Ca 0.07 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.82 1j8h h ASP 186 Cb 0.44 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.94 1j8h h ASP 186 CO 0.02 0.00 1.22 0.12 -1.03 0.00 0.00 179.24 179.57 1j8h s PHE 187 N -4.05 1.61 0.01 4.15 2.19 -1.08 -4.97 117.98 115.84 1j8h s PHE 187 Ca -0.04 0.11 0.04 0.00 0.33 0.00 0.00 56.93 57.36 1j8h s PHE 187 Cb 0.12 -4.05 -0.01 0.00 -1.31 0.00 0.00 43.02 37.77 1j8h s PHE 187 CO 0.42 -4.29 -0.11 0.00 1.83 0.00 0.00 175.22 173.07 1j8h s ALA 188 N 5.26 0.93 0.55 11.12 0.00 -1.26 -4.94 121.76 133.42 1j8h s ALA 188 Ca 0.83 -0.59 0.39 0.00 0.00 0.00 0.00 51.96 52.59 1j8h s ALA 188 Cb -0.34 -0.18 2.10 0.00 0.00 0.00 0.00 23.12 24.69 1j8h s ALA 188 CO 0.35 0.19 2.18 0.00 0.00 0.00 0.00 175.76 178.48 1j8h h ALA 190 N 1.85 0.73 -0.01 0.00 0.00 -1.95 -3.28 119.26 116.59 1j8h h ALA 190 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j8h h ALA 190 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1j8h h ALA 190 CO 0.00 0.31 -0.40 0.27 0.00 0.00 0.00 179.25 179.43 1j8h n ASN 191 N -4.53 1.64 -0.20 0.00 2.04 -0.87 -4.71 115.26 108.63 1j8h n ASN 191 Ca 0.03 -1.32 -0.03 0.00 -0.44 0.00 0.00 54.58 52.82 1j8h n ASN 191 Cb 0.14 0.52 0.04 0.00 -2.53 0.00 0.00 39.78 37.94 1j8h n ASN 191 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1j8h h ALA 192 N 2.97 0.19 -0.62 -2.53 0.00 -1.50 -1.04 119.26 116.72 1j8h h ALA 192 Ca 0.00 0.20 -0.39 0.00 0.00 0.00 0.00 54.91 54.72 1j8h h ALA 192 Cb 0.58 0.62 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1j8h h ALA 192 CO 0.00 -0.55 0.51 1.19 0.00 0.00 0.00 179.25 180.40 1j8h n PHE 193 N -5.44 1.98 0.00 0.00 3.01 -1.26 -4.75 117.46 110.99 1j8h n PHE 193 Ca 0.06 -2.00 0.00 0.00 1.01 0.00 0.00 57.45 56.51 1j8h n PHE 193 Cb 0.34 -0.98 0.00 0.00 -0.01 0.00 0.00 39.48 38.83 1j8h n PHE 193 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1j8h n ASN 194 N -0.14 0.00 -3.84 4.37 3.02 -0.40 -4.32 115.26 113.95 1j8h n ASN 194 Ca 0.38 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.65 1j8h n ASN 194 Cb 0.77 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.82 1j8h n ASN 194 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1j8h s ASN 195 N -0.62 4.20 -0.45 6.41 -0.87 -1.26 -4.97 114.94 117.38 1j8h s ASN 195 Ca 0.00 -3.38 -0.21 0.00 -1.57 0.00 0.00 52.86 47.70 1j8h s ASN 195 Cb 0.00 -1.44 0.03 0.00 -0.02 0.00 0.00 41.25 39.82 1j8h s ASN 195 CO 0.00 -0.16 0.62 -0.24 -2.57 0.00 0.00 177.10 174.75 1j8h n SER 196 N 2.58 -7.38 -4.47 -1.22 2.88 -1.26 -4.13 113.62 100.61 1j8h n SER 196 Ca 0.15 0.35 -0.24 0.00 -1.33 0.00 0.00 58.87 57.81 1j8h n SER 196 Cb 0.35 -4.53 -0.10 0.00 -0.75 0.00 0.00 64.21 59.18 1j8h n SER 196 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1j8h s ILE 197 N -2.37 2.32 0.30 2.46 -4.36 -1.26 -4.63 121.20 113.65 1j8h s ILE 197 Ca 0.27 -2.34 -0.29 0.00 -0.26 0.00 0.00 60.65 58.04 1j8h s ILE 197 Cb -0.06 -2.34 -0.13 0.00 1.25 0.00 0.00 42.46 41.17 1j8h s ILE 197 CO 0.79 -0.38 1.18 -0.38 0.24 0.00 0.00 174.94 176.40 1j8h n ILE 198 N -0.62 1.82 0.26 8.37 -0.00 -1.26 -4.87 119.36 123.06 1j8h n ILE 198 Ca -0.05 -0.46 0.14 0.00 -0.00 0.00 0.00 62.75 62.38 1j8h n ILE 198 Cb 0.61 -1.29 0.66 0.00 -0.00 0.00 0.00 39.64 39.62 1j8h n ILE 198 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 1j8h h PRO 199 N 2.55 0.00 -0.18 0.38 0.13 -2.03 -2.91 132.00 129.96 1j8h h PRO 199 Ca -0.43 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.55 1j8h h PRO 199 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1j8h h PRO 199 CO 0.64 0.12 -0.53 1.49 -0.23 0.00 0.00 178.00 179.49 1j8h h GLU 200 N 0.00 0.50 -6.17 0.86 4.81 -1.97 -3.47 114.58 109.15 1j8h h GLU 200 Ca -0.00 -0.31 -0.70 0.00 -0.13 0.00 0.00 59.36 58.22 1j8h h GLU 200 Cb 0.50 0.03 0.07 0.00 0.63 0.00 0.00 28.75 29.98 1j8h h GLU 200 CO 0.02 0.91 0.14 -0.40 -0.73 0.00 0.00 179.01 178.94 1j8h n ASP 201 N -3.96 0.65 -4.77 1.04 5.68 -1.10 -4.89 116.55 109.20 1j8h n ASP 201 Ca -0.03 1.14 -0.29 0.00 -0.50 0.00 0.00 54.79 55.11 1j8h n ASP 201 Cb 0.59 -1.08 0.11 0.00 -1.14 0.00 0.00 41.12 39.60 1j8h n ASP 201 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1j8h s THR 202 N -0.08 1.99 0.00 2.12 2.01 -0.69 -4.85 115.64 116.15 1j8h s THR 202 Ca 0.80 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1j8h s THR 202 Cb -1.02 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1j8h s THR 202 CO 0.53 0.00 0.00 0.49 -0.69 0.00 0.00 174.62 174.95