#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d9k s GLU 2 N 0.00 2.41 0.00 0.38 2.12 -1.26 -5.11 118.70 117.24 1d9k s GLU 2 Ca 0.00 -1.51 0.00 0.00 0.36 0.00 0.00 54.97 53.82 1d9k s GLU 2 Cb 0.00 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.18 1d9k s GLU 2 CO 0.00 0.12 0.00 0.00 -0.54 0.00 0.00 175.26 174.84 1d9k n ALA 3 N -1.17 0.00 -0.07 6.30 0.00 -1.26 -5.03 120.51 119.29 1d9k n ALA 3 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1d9k n ALA 3 Cb 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 1d9k n ALA 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1d9k n ASP 4 N 0.00 2.78 -4.01 0.00 2.03 -1.26 -5.07 116.55 111.01 1d9k n ASP 4 Ca 0.00 -0.06 -0.10 0.00 0.52 0.00 0.00 54.79 55.15 1d9k n ASP 4 Cb 0.00 -0.05 -0.07 0.00 -0.72 0.00 0.00 41.12 40.28 1d9k n ASP 4 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1d9k s HIS 5 N -2.28 0.52 -0.17 -0.67 3.76 -1.26 -5.11 115.29 110.07 1d9k s HIS 5 Ca -0.17 -0.86 -0.04 0.00 -0.15 0.00 0.00 55.06 53.84 1d9k s HIS 5 Cb 0.05 -0.09 0.08 0.00 1.11 0.00 0.00 32.58 33.73 1d9k s HIS 5 CO 0.35 -0.77 0.23 0.08 -0.85 0.00 0.00 174.74 173.79 1d9k s VAL 6 N -4.01 -0.36 -0.26 -0.90 1.01 -1.26 -5.02 120.40 109.60 1d9k s VAL 6 Ca 0.22 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1d9k s VAL 6 Cb 0.03 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 1d9k s VAL 6 CO 0.04 -0.08 0.03 -0.83 0.00 0.00 0.00 175.10 174.26 1d9k s GLY 7 N 2.36 1.72 -0.68 4.51 0.00 -1.26 -0.06 107.32 113.90 1d9k s GLY 7 Ca 0.05 -1.31 -0.07 0.00 0.00 0.00 0.00 44.72 43.39 1d9k s GLY 7 CO -0.11 0.55 0.54 -0.45 0.00 0.00 0.00 173.10 173.64 1d9k s SER 8 N 1.50 5.77 -0.71 1.64 0.15 0.23 -5.02 113.70 117.26 1d9k s SER 8 Ca 0.04 -2.74 -0.19 0.00 0.70 0.00 0.00 55.95 53.76 1d9k s SER 8 Cb -0.16 -1.98 0.12 0.00 -1.71 0.00 0.00 66.02 62.29 1d9k s SER 8 CO 0.00 -0.46 0.85 -0.31 1.20 0.00 0.00 173.24 174.52 1d9k s TYR 9 N 0.10 3.09 0.00 3.44 2.02 -1.26 -1.73 117.35 123.01 1d9k s TYR 9 Ca 0.16 -1.15 0.00 0.00 -0.37 0.00 0.00 57.07 55.71 1d9k s TYR 9 Cb -0.17 -4.09 0.00 0.00 -0.40 0.00 0.00 41.96 37.30 1d9k s TYR 9 CO -0.05 -1.35 0.00 0.41 -1.57 0.00 0.00 175.55 172.99 1d9k n GLY 9 N 5.16 1.40 3.71 0.71 0.00 -0.92 -5.03 105.19 110.22 1d9k n GLY 9 Ca 0.02 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.45 1d9k n GLY 9 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1d9k n ILE 10 N 0.00 0.22 -3.97 -0.61 -0.00 -0.93 -4.74 119.36 109.33 1d9k n ILE 10 Ca 0.00 -0.04 -0.31 0.00 -0.00 0.00 0.00 62.75 62.40 1d9k n ILE 10 Cb 0.00 -1.02 -0.15 0.00 -0.00 0.00 0.00 39.64 38.46 1d9k n ILE 10 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.55 175.66 1d9k s THR 11 N 3.24 1.79 0.00 1.39 2.01 -1.26 -2.23 115.64 120.59 1d9k s THR 11 Ca 0.99 -1.55 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1d9k s THR 11 Cb -1.17 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1d9k s THR 11 CO 0.69 -0.21 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.68 1d9k s VAL 12 N 1.24 3.89 -0.06 3.82 1.01 -0.77 -4.99 120.40 124.54 1d9k s VAL 12 Ca -0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1d9k s VAL 12 Cb -0.19 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1d9k s VAL 12 CO -0.08 0.38 0.16 -0.47 0.00 0.00 0.00 175.10 175.09 1d9k s TYR 13 N -1.05 -0.19 0.05 5.22 5.04 -1.26 -1.48 117.35 123.69 1d9k s TYR 13 Ca 0.18 0.47 0.03 0.00 -2.44 0.00 0.00 57.07 55.31 1d9k s TYR 13 Cb -0.11 0.03 -0.03 0.00 0.35 0.00 0.00 41.96 42.20 1d9k s TYR 13 CO 0.09 -0.11 -0.09 -0.65 -1.34 0.00 0.00 175.55 173.44 1d9k s GLN 14 N 0.40 0.63 0.02 4.97 -0.21 0.76 -4.99 119.66 121.23 1d9k s GLN 14 Ca -0.03 -0.84 -0.06 0.00 0.02 0.00 0.00 55.36 54.45 1d9k s GLN 14 Cb -0.04 -0.44 -0.00 0.00 1.00 0.00 0.00 33.01 33.53 1d9k s GLN 14 CO -0.02 0.08 0.12 0.45 -2.12 0.00 0.00 175.29 173.81 1d9k s SER 15 N -1.70 0.09 0.92 5.90 0.15 -1.26 -1.33 113.70 116.46 1d9k s SER 15 Ca -0.07 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 1d9k s SER 15 Cb -0.09 0.21 0.14 0.00 -1.71 0.00 0.00 66.02 64.57 1d9k s SER 15 CO 0.01 -0.42 1.09 -2.16 1.20 0.00 0.00 173.24 172.96 1d9k s PRO 16 N -1.84 1.09 0.00 5.44 0.04 -1.26 -4.98 135.00 133.49 1d9k s PRO 16 Ca -0.11 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1d9k s PRO 16 Cb -0.05 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1d9k s PRO 16 CO -0.01 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1d9k n GLY 17 N -1.18 2.17 3.51 0.56 0.00 -1.26 -4.67 105.19 104.31 1d9k n GLY 17 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1d9k n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d9k n ASP 18 N 0.00 -5.03 -4.69 1.61 10.43 -1.02 -4.91 116.55 112.94 1d9k n ASP 18 Ca 0.00 -0.52 -0.42 0.00 2.57 0.00 0.00 54.79 56.41 1d9k n ASP 18 Cb 0.00 -4.05 -0.03 0.00 1.84 0.00 0.00 41.12 38.88 1d9k n ASP 18 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1d9k s ILE 19 N -3.17 4.30 0.23 0.53 1.09 -0.44 -4.88 121.20 118.86 1d9k s ILE 19 Ca 0.50 1.63 0.06 0.00 -1.10 0.00 0.00 60.65 61.73 1d9k s ILE 19 Cb -0.24 -4.05 -0.05 0.00 -1.06 0.00 0.00 42.46 37.06 1d9k s ILE 19 CO 0.61 0.04 -0.07 -0.83 -0.10 0.00 0.00 174.94 174.59 1d9k s GLY 20 N 1.32 1.54 -0.28 6.18 0.00 -1.26 -0.17 107.32 114.65 1d9k s GLY 20 Ca 0.56 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 1d9k s GLY 20 CO 0.24 -1.73 0.61 1.62 0.00 0.00 0.00 173.10 173.84 1d9k s GLN 21 N -3.75 0.56 -0.16 2.90 0.74 -0.55 -4.98 119.66 114.41 1d9k s GLN 21 Ca 0.26 1.33 0.02 0.00 0.05 0.00 0.00 55.36 57.01 1d9k s GLN 21 Cb 0.03 0.63 0.02 0.00 1.10 0.00 0.00 33.01 34.78 1d9k s GLN 21 CO 0.08 -0.20 -0.20 -0.47 -0.55 0.00 0.00 175.29 173.95 1d9k s TYR 22 N 2.57 2.68 0.07 1.67 5.04 -1.26 -1.85 117.35 126.26 1d9k s TYR 22 Ca -0.06 -1.48 0.01 0.00 -2.44 0.00 0.00 57.07 53.10 1d9k s TYR 22 Cb -0.11 -1.84 -0.04 0.00 0.35 0.00 0.00 41.96 40.32 1d9k s TYR 22 CO -0.18 -0.71 -0.06 0.95 -1.34 0.00 0.00 175.55 174.21 1d9k s THR 23 N 1.09 0.50 -0.20 4.34 -4.23 -0.95 -1.51 115.64 114.68 1d9k s THR 23 Ca -0.00 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1d9k s THR 23 Cb -0.14 -1.28 0.04 0.00 1.34 0.00 0.00 72.50 72.45 1d9k s THR 23 CO -0.08 -0.76 -0.14 -0.36 -0.54 0.00 0.00 174.62 172.74 1d9k s PHE 24 N -3.01 2.66 -0.06 3.99 0.40 -0.97 -2.16 117.98 118.83 1d9k s PHE 24 Ca 0.03 -1.70 0.03 0.00 -0.60 0.00 0.00 56.93 54.70 1d9k s PHE 24 Cb 0.01 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1d9k s PHE 24 CO -0.05 -0.78 -0.15 -1.21 0.70 0.00 0.00 175.22 173.74 1d9k s GLU 25 N 1.32 2.62 -0.08 0.44 2.02 -0.71 -0.09 118.70 124.22 1d9k s GLU 25 Ca 0.00 -0.71 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 1d9k s GLU 25 Cb -0.15 -2.40 0.03 0.00 0.10 0.00 0.00 34.13 31.70 1d9k s GLU 25 CO -0.09 0.56 -0.03 0.12 0.02 0.00 0.00 175.26 175.84 1d9k s PHE 26 N -0.56 0.94 -1.22 1.61 5.36 -0.68 -0.60 117.98 122.83 1d9k s PHE 26 Ca 0.08 -0.35 -0.00 0.00 -0.96 0.00 0.00 56.93 55.69 1d9k s PHE 26 Cb -0.11 -0.93 0.00 0.00 -0.34 0.00 0.00 43.02 41.64 1d9k s PHE 26 CO 0.01 -0.38 0.03 -0.25 -1.46 0.00 0.00 175.22 173.18 1d9k n ASP 27 N 4.99 -4.36 0.00 6.13 9.92 0.91 -2.44 116.55 131.71 1d9k n ASP 27 Ca -0.10 0.12 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1d9k n ASP 27 Cb 0.50 -3.67 0.00 0.00 -0.64 0.00 0.00 41.12 37.31 1d9k n ASP 27 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d9k n GLY 28 N -0.88 3.09 3.85 0.44 0.00 -1.26 -5.01 105.19 105.42 1d9k n GLY 28 Ca -0.16 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1d9k n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d9k s ASP 29 N 0.00 6.78 -0.44 1.61 1.01 -1.02 -5.01 116.67 119.61 1d9k s ASP 29 Ca 0.00 1.31 -0.28 0.00 0.71 0.00 0.00 52.55 54.29 1d9k s ASP 29 Cb 0.00 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1d9k s ASP 29 CO 0.00 -0.22 1.52 -0.70 0.21 0.00 0.00 175.17 175.98 1d9k s GLU 30 N -3.02 3.41 0.06 8.23 2.12 -1.26 -1.68 118.70 126.56 1d9k s GLU 30 Ca 0.55 0.92 -0.26 0.00 0.36 0.00 0.00 54.97 56.54 1d9k s GLU 30 Cb -0.10 -4.10 -0.17 0.00 0.26 0.00 0.00 34.13 30.02 1d9k s GLU 30 CO 0.17 -1.77 1.57 -0.07 -0.54 0.00 0.00 175.26 174.62 1d9k h LEU 31 N 12.95 -0.21 0.00 2.70 3.38 -0.84 -3.39 115.31 129.90 1d9k h LEU 31 Ca -0.29 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1d9k h LEU 31 Cb 1.12 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1d9k h LEU 31 CO 1.10 -0.04 0.07 2.22 0.09 0.00 0.00 178.44 181.88 1d9k n PHE 32 N -5.14 -0.50 -3.43 1.13 1.16 -1.15 -2.14 117.46 107.38 1d9k n PHE 32 Ca -0.09 -0.11 -0.13 0.00 -1.87 0.00 0.00 57.45 55.25 1d9k n PHE 32 Cb 0.16 0.05 -0.02 0.00 -1.61 0.00 0.00 39.48 38.06 1d9k n PHE 32 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 1d9k s TYR 33 N -4.77 -0.55 -0.22 2.97 -0.85 -0.61 -2.28 117.35 111.05 1d9k s TYR 33 Ca 0.03 0.41 -0.11 0.00 -0.52 0.00 0.00 57.07 56.88 1d9k s TYR 33 Cb -0.00 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.83 1d9k s TYR 33 CO 0.00 -0.82 0.16 0.08 -1.52 0.00 0.00 175.55 173.46 1d9k s VAL 34 N -3.47 5.37 -0.76 -3.49 1.01 -0.57 0.37 120.40 118.85 1d9k s VAL 34 Ca -0.00 0.22 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 1d9k s VAL 34 Cb -0.01 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1d9k s VAL 34 CO -0.11 0.38 1.38 -0.62 0.00 0.00 0.00 175.10 176.14 1d9k s ASP 35 N 0.77 6.08 0.22 3.32 -1.08 0.17 -4.61 116.67 121.54 1d9k s ASP 35 Ca 0.09 -0.48 -0.08 0.00 -0.52 0.00 0.00 52.55 51.55 1d9k s ASP 35 Cb -0.13 -2.56 0.35 0.00 -1.46 0.00 0.00 42.92 39.12 1d9k s ASP 35 CO 0.02 -1.88 1.71 -0.07 0.52 0.00 0.00 175.17 175.47 1d9k h LEU 36 N 13.50 0.05 0.07 -1.34 -0.00 -1.96 1.17 115.31 126.80 1d9k h LEU 36 Ca -0.21 0.12 -0.23 0.00 -0.00 0.00 0.00 57.88 57.55 1d9k h LEU 36 Cb 1.06 0.15 0.02 0.00 -0.00 0.00 0.00 40.66 41.89 1d9k h LEU 36 CO 1.29 0.02 -0.96 0.44 -0.00 0.00 0.00 178.44 179.23 1d9k h ASP 37 N 0.29 0.72 1.13 -0.43 3.32 -1.98 -3.16 116.42 116.32 1d9k h ASP 37 Ca 0.35 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1d9k h ASP 37 Cb 0.53 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1d9k h ASP 37 CO -0.42 1.45 0.00 1.17 -1.72 0.00 0.00 179.24 179.73 1d9k n LYS 38 N -3.98 0.22 -3.51 3.56 4.81 -1.08 -4.94 118.16 113.25 1d9k n LYS 38 Ca -0.12 0.30 -0.22 0.00 -0.87 0.00 0.00 58.31 57.39 1d9k n LYS 38 Cb 0.85 -1.82 0.05 0.00 0.02 0.00 0.00 35.03 34.14 1d9k n LYS 38 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1d9k n LYS 39 N -2.22 -2.67 -3.60 1.64 5.02 0.40 -5.01 118.16 111.73 1d9k n LYS 39 Ca 0.04 0.67 -0.14 0.00 -2.02 0.00 0.00 58.31 56.85 1d9k n LYS 39 Cb 0.34 -5.08 -0.07 0.00 -0.02 0.00 0.00 35.03 30.20 1d9k n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1d9k s GLU 40 N -5.35 0.86 0.28 1.97 -1.05 -1.03 -4.92 118.70 109.46 1d9k s GLU 40 Ca 0.34 0.73 -0.29 0.00 -0.15 0.00 0.00 54.97 55.60 1d9k s GLU 40 Cb -0.08 0.41 -0.10 0.00 -0.44 0.00 0.00 34.13 33.92 1d9k s GLU 40 CO 0.80 -0.16 1.20 -0.08 0.95 0.00 0.00 175.26 177.97 1d9k s THR 41 N -0.11 3.20 -0.26 1.83 -1.32 -1.26 -0.65 115.64 117.06 1d9k s THR 41 Ca -0.03 1.16 0.03 0.00 -1.21 0.00 0.00 61.69 61.64 1d9k s THR 41 Cb -0.03 -3.74 0.06 0.00 -1.51 0.00 0.00 72.50 67.28 1d9k s THR 41 CO 0.03 0.26 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.89 1d9k s VAL 42 N -0.91 2.17 -0.19 5.08 1.01 0.16 -4.89 120.40 122.82 1d9k s VAL 42 Ca 0.48 -1.64 -0.21 0.00 0.00 0.00 0.00 61.98 60.61 1d9k s VAL 42 Cb -0.35 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1d9k s VAL 42 CO 0.44 -0.03 0.64 0.26 0.00 0.00 0.00 175.10 176.41 1d9k s TRP 43 N 1.10 3.38 0.18 5.22 0.52 -1.26 -1.57 118.94 126.51 1d9k s TRP 43 Ca -0.09 0.94 -0.14 0.00 0.02 0.00 0.00 56.10 56.84 1d9k s TRP 43 Cb -0.20 -2.80 0.10 0.00 -1.15 0.00 0.00 33.47 29.42 1d9k s TRP 43 CO -0.05 -0.17 1.81 1.98 0.02 0.00 0.00 176.95 180.54 1d9k h MET 44 N 7.45 0.56 -3.93 4.98 4.05 -1.63 -3.23 114.93 123.18 1d9k h MET 44 Ca -0.32 -0.03 -0.76 0.00 -0.28 0.00 0.00 59.70 58.31 1d9k h MET 44 Cb 1.14 -0.13 -0.27 0.00 -0.80 0.00 0.00 31.60 31.55 1d9k h MET 44 CO 0.77 0.37 -0.11 -0.51 0.23 0.00 0.00 176.91 177.67 1d9k s LEU 45 N -10.22 6.28 0.23 3.39 1.43 -1.26 -4.97 118.68 113.57 1d9k s LEU 45 Ca -0.13 -2.37 -0.12 0.00 -1.03 0.00 0.00 54.13 50.48 1d9k s LEU 45 Cb 0.13 -2.14 0.31 0.00 0.03 0.00 0.00 46.19 44.52 1d9k s LEU 45 CO 0.74 -0.64 1.60 1.55 0.23 0.00 0.00 176.35 179.83 1d9k h PRO 46 N 8.07 -0.00 -0.61 1.29 0.13 -1.94 -1.73 132.00 137.21 1d9k h PRO 46 Ca -0.06 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.20 1d9k h PRO 46 Cb 1.05 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.07 1d9k h PRO 46 CO 0.84 -0.00 -0.07 1.05 -0.23 0.00 0.00 178.00 179.58 1d9k h GLU 47 N -0.00 0.05 -0.98 0.86 9.09 -1.93 0.14 114.58 121.82 1d9k h GLU 47 Ca 0.36 -0.00 0.33 0.00 0.05 0.00 0.00 59.36 60.10 1d9k h GLU 47 Cb 0.55 -0.01 -0.16 0.00 -1.65 0.00 0.00 28.75 27.48 1d9k h GLU 47 CO -0.78 0.04 0.42 0.74 0.05 0.00 0.00 179.01 179.48 1d9k h PHE 48 N 0.06 0.66 0.00 2.06 -1.00 -1.72 0.29 116.94 117.28 1d9k h PHE 48 Ca 0.31 0.05 0.00 0.00 2.81 0.00 0.00 57.97 61.13 1d9k h PHE 48 Cb 0.49 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.92 1d9k h PHE 48 CO -0.43 -0.31 0.29 0.00 -1.61 0.00 0.00 178.31 176.25 1d9k h ALA 49 N 1.90 1.28 0.00 2.45 0.00 -0.80 -0.89 119.26 123.19 1d9k h ALA 49 Ca 0.72 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.41 1d9k h ALA 49 Cb 1.68 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1d9k h ALA 49 CO -0.71 -0.28 -1.21 1.96 0.00 0.00 0.00 179.25 179.01 1d9k h GLN 50 N 0.00 0.00 -0.01 0.00 4.20 -0.52 -3.33 115.11 115.45 1d9k h GLN 50 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1d9k h GLN 50 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1d9k h GLN 50 CO 0.00 0.72 -0.41 1.28 -0.67 0.00 0.00 178.83 179.75 1d9k n LEU 51 N -3.20 1.01 -3.70 1.46 4.77 -0.36 -4.89 117.00 112.09 1d9k n LEU 51 Ca -0.06 -0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 55.51 1d9k n LEU 51 Cb 0.94 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.81 1d9k n LEU 51 CO 0.45 0.20 0.18 0.00 -1.33 0.00 0.00 177.39 176.90 1d9k s ARG 52 N -2.67 0.59 0.12 3.23 1.70 -1.09 -5.15 118.95 115.69 1d9k s ARG 52 Ca 0.19 0.67 0.10 0.00 -0.47 0.00 0.00 55.73 56.22 1d9k s ARG 52 Cb 0.18 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.81 1d9k s ARG 52 CO 0.60 -0.08 -0.24 0.50 -1.08 0.00 0.00 175.30 175.01 1d9k s ARG 53 N 0.21 1.53 -0.05 3.89 3.52 -1.26 -4.48 118.95 122.32 1d9k s ARG 53 Ca -0.00 -1.29 -0.01 0.00 -0.13 0.00 0.00 55.73 54.30 1d9k s ARG 53 Cb -0.03 -1.97 0.03 0.00 -1.56 0.00 0.00 34.95 31.41 1d9k s ARG 53 CO 0.01 0.46 0.01 0.12 -0.81 0.00 0.00 175.30 175.09 1d9k s PHE 54 N -1.08 0.41 -0.40 5.12 5.36 -1.26 -5.10 117.98 121.03 1d9k s PHE 54 Ca 0.15 -0.02 -0.29 0.00 -0.96 0.00 0.00 56.93 55.82 1d9k s PHE 54 Cb -0.10 -0.57 0.01 0.00 -0.34 0.00 0.00 43.02 42.01 1d9k s PHE 54 CO 0.07 -0.21 1.46 -2.00 -1.46 0.00 0.00 175.22 173.08 1d9k s GLU 55 N 1.56 3.55 0.57 10.12 2.56 -1.26 -4.72 118.70 131.08 1d9k s GLU 55 Ca -0.02 0.99 0.26 0.00 0.00 0.00 0.00 54.97 56.21 1d9k s GLU 55 Cb -0.13 -4.05 1.68 0.00 2.00 0.00 0.00 34.13 33.63 1d9k s GLU 55 CO -0.03 -1.60 2.22 -1.00 -0.56 0.00 0.00 175.26 174.29 1d9k h PRO 56 N 10.95 0.00 -0.73 4.30 0.13 -1.95 -2.40 132.00 142.29 1d9k h PRO 56 Ca -0.28 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.92 1d9k h PRO 56 Cb 1.11 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.14 1d9k h PRO 56 CO 1.08 0.00 -0.55 1.96 -0.23 0.00 0.00 178.00 180.26 1d9k h GLN 57 N 0.00 -0.17 -0.58 0.86 1.08 -1.92 0.30 115.11 114.68 1d9k h GLN 57 Ca 0.01 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.34 1d9k h GLN 57 Cb 0.05 0.04 -0.11 0.00 -0.05 0.00 0.00 27.48 27.41 1d9k h GLN 57 CO -0.00 -0.11 -0.14 0.78 -0.95 0.00 0.00 178.83 178.41 1d9k h GLY 58 N -0.17 0.43 0.01 3.46 0.00 -1.84 -0.11 103.07 104.85 1d9k h GLY 58 Ca 0.14 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.74 1d9k h GLY 58 CO -0.79 -0.22 -0.19 -1.33 0.00 0.00 0.00 176.54 174.01 1d9k h GLY 59 N 0.00 0.11 0.26 4.60 0.00 -0.56 -1.77 103.07 105.72 1d9k h GLY 59 Ca 0.28 0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.92 1d9k h GLY 59 CO -0.59 -0.20 -0.16 1.41 0.00 0.00 0.00 176.54 177.00 1d9k h LEU 60 N -0.11 -0.52 -1.46 3.11 4.07 0.33 -0.98 115.31 119.74 1d9k h LEU 60 Ca 0.20 0.12 0.13 0.00 0.08 0.00 0.00 57.88 58.41 1d9k h LEU 60 Cb 0.42 0.28 -0.06 0.00 1.08 0.00 0.00 40.66 42.39 1d9k h LEU 60 CO -0.49 -0.19 0.52 -0.61 -1.08 0.00 0.00 178.44 176.59 1d9k h GLN 61 N -0.13 0.53 -0.06 1.13 5.75 -0.58 0.33 115.11 122.07 1d9k h GLN 61 Ca 0.15 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1d9k h GLN 61 Cb 0.35 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 1d9k h GLN 61 CO -0.36 0.35 -0.02 -0.91 -2.65 0.00 0.00 178.83 175.24 1d9k h ASN 62 N 0.55 0.13 -0.54 -0.69 4.21 -0.50 -0.84 115.58 117.90 1d9k h ASN 62 Ca 0.38 -0.39 0.02 0.00 1.21 0.00 0.00 56.30 57.52 1d9k h ASN 62 Cb 0.72 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.85 1d9k h ASN 62 CO -0.14 0.50 0.36 0.40 -1.29 0.00 0.00 177.43 177.25 1d9k h ILE 63 N -0.23 1.08 0.18 2.81 1.08 -0.43 0.20 117.51 122.20 1d9k h ILE 63 Ca 0.02 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1d9k h ILE 63 Cb 0.44 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1d9k h ILE 63 CO 0.01 0.12 -0.20 0.00 -0.69 0.00 0.00 178.15 177.39 1d9k h ALA 64 N 1.68 -0.39 -0.76 1.87 0.00 0.10 -1.24 119.26 120.52 1d9k h ALA 64 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1d9k h ALA 64 Cb 0.04 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1d9k h ALA 64 CO -0.05 -0.75 0.32 1.15 0.00 0.00 0.00 179.25 179.92 1d9k h THR 65 N -0.42 1.25 -0.37 0.00 2.02 -0.49 -2.72 112.91 112.19 1d9k h THR 65 Ca 0.01 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.47 1d9k h THR 65 Cb 0.40 0.33 -0.08 0.00 -1.74 0.00 0.00 68.15 67.06 1d9k h THR 65 CO -0.06 0.32 -0.48 1.23 0.37 0.00 0.00 175.52 176.90 1d9k h GLY 66 N 1.10 -0.75 -0.65 2.16 0.00 -0.36 0.53 103.07 105.09 1d9k h GLY 66 Ca 0.26 0.61 0.21 0.00 0.00 0.00 0.00 47.33 48.40 1d9k h GLY 66 CO -0.02 -0.17 -0.04 1.70 0.00 0.00 0.00 176.54 178.01 1d9k h LYS 67 N -0.38 0.05 0.90 4.80 3.64 -0.94 0.57 116.57 125.21 1d9k h LYS 67 Ca 0.11 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1d9k h LYS 67 Cb 0.60 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1d9k h LYS 67 CO -0.56 0.03 -0.44 1.25 -2.27 0.00 0.00 179.45 177.47 1d9k h HIS 68 N 0.05 -1.13 -0.80 1.91 2.76 -0.07 -3.01 115.15 114.87 1d9k h HIS 68 Ca 0.48 -0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.73 1d9k h HIS 68 Cb 0.87 0.38 -0.08 0.00 1.55 0.00 0.00 27.41 30.13 1d9k h HIS 68 CO -0.51 -0.70 0.43 -0.91 -1.30 0.00 0.00 177.93 174.94 1d9k h ASN 69 N -1.21 0.58 0.00 3.26 2.35 0.15 0.15 115.58 120.85 1d9k h ASN 69 Ca -0.12 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1d9k h ASN 69 Cb 0.93 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1d9k h ASN 69 CO 0.20 0.31 0.05 -0.11 -1.65 0.00 0.00 177.43 176.23 1d9k n LEU 70 N -4.81 0.51 -0.03 1.61 7.94 0.18 -1.20 117.00 121.20 1d9k n LEU 70 Ca 0.14 0.72 -0.02 0.00 -1.11 0.00 0.00 56.01 55.74 1d9k n LEU 70 Cb 0.31 -0.77 -0.01 0.00 0.53 0.00 0.00 43.42 43.48 1d9k n LEU 70 CO 0.25 -0.90 -0.16 -0.08 -1.11 0.00 0.00 177.39 175.39 1d9k h GLU 71 N 0.00 0.00 -0.41 1.96 4.81 -0.58 -3.11 114.58 117.25 1d9k h GLU 71 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1d9k h GLU 71 Cb 0.09 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 1d9k h GLU 71 CO 0.00 0.00 -0.40 0.82 -0.73 0.00 0.00 179.01 178.70 1d9k h ILE 72 N -0.48 0.00 -1.02 2.32 2.04 -1.30 1.22 117.51 120.29 1d9k h ILE 72 Ca 0.00 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.11 1d9k h ILE 72 Cb 0.23 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.20 1d9k h ILE 72 CO 0.00 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.70 1d9k h LEU 73 N -0.20 0.60 -0.22 1.44 -0.00 -1.38 1.80 115.31 117.35 1d9k h LEU 73 Ca 0.07 0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.99 1d9k h LEU 73 Cb 0.38 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1d9k h LEU 73 CO -0.49 0.10 -0.15 0.74 -0.00 0.00 0.00 178.44 178.64 1d9k h THR 74 N 0.52 1.31 0.91 0.22 2.02 -0.13 0.57 112.91 118.33 1d9k h THR 74 Ca 0.63 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 1d9k h THR 74 Cb 1.33 1.66 0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1d9k h THR 74 CO -0.41 0.39 -0.44 0.11 0.37 0.00 0.00 175.52 175.54 1d9k h LYS 75 N 0.19 -1.17 -0.89 6.66 1.57 0.62 0.59 116.57 124.14 1d9k h LYS 75 Ca 0.04 0.08 0.19 0.00 -1.87 0.00 0.00 60.65 59.09 1d9k h LYS 75 Cb 0.68 0.27 -0.07 0.00 0.08 0.00 0.00 32.23 33.18 1d9k h LYS 75 CO 0.04 -0.78 0.58 -0.09 -0.57 0.00 0.00 179.45 178.64 1d9k h ARG 76 N -1.25 0.48 -0.56 3.15 2.43 0.25 0.33 114.38 119.21 1d9k h ARG 76 Ca -0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1d9k h ARG 76 Cb 0.94 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1d9k h ARG 76 CO 0.20 0.31 0.00 -1.13 -1.51 0.00 0.00 179.97 177.85 1d9k n SER 77 N -4.54 1.41 -4.13 -3.80 3.41 0.20 -4.87 113.62 101.31 1d9k n SER 77 Ca 0.19 -2.10 -0.30 0.00 -0.26 0.00 0.00 58.87 56.40 1d9k n SER 77 Cb 0.63 -0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 1d9k n SER 77 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1d9k n ASN 78 N 0.04 -0.54 -3.46 4.04 5.03 0.12 -1.43 115.26 119.05 1d9k n ASN 78 Ca 0.05 -1.09 -0.25 0.00 0.87 0.00 0.00 54.58 54.16 1d9k n ASN 78 Cb 0.29 -2.54 0.05 0.00 -1.02 0.00 0.00 39.78 36.56 1d9k n ASN 78 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1d9k n SER 79 N -2.88 -5.74 -4.63 6.41 7.64 0.17 -4.94 113.62 109.65 1d9k n SER 79 Ca -0.23 -0.50 -0.43 0.00 1.01 0.00 0.00 58.87 58.72 1d9k n SER 79 Cb 0.65 -4.58 -0.02 0.00 -1.01 0.00 0.00 64.21 59.24 1d9k n SER 79 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1d9k s THR 80 N -3.24 3.99 0.85 0.44 2.01 -0.51 -4.99 115.64 114.18 1d9k s THR 80 Ca 0.50 1.11 -0.12 0.00 0.31 0.00 0.00 61.69 63.50 1d9k s THR 80 Cb -0.23 -3.99 0.10 0.00 0.01 0.00 0.00 72.50 68.39 1d9k s THR 80 CO 0.62 -0.40 1.10 -2.16 -0.69 0.00 0.00 174.62 173.08 1d9k s PRO 81 N 4.32 1.65 -0.08 4.92 0.04 -1.26 -5.03 135.00 139.56 1d9k s PRO 81 Ca 0.62 0.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.18 1d9k s PRO 81 Cb -0.20 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1d9k s PRO 81 CO 0.25 -1.94 0.41 0.00 0.04 0.00 0.00 177.00 175.76 1d9k s ALA 82 N -3.07 3.59 0.26 8.56 0.00 -1.26 -5.06 121.76 124.78 1d9k s ALA 82 Ca 0.62 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1d9k s ALA 82 Cb -0.16 -2.49 -0.09 0.00 0.00 0.00 0.00 23.12 20.38 1d9k s ALA 82 CO 0.55 0.21 1.01 0.99 0.00 0.00 0.00 175.76 178.52 1d9k s THR 83 N -0.08 3.82 0.91 0.00 2.01 -1.26 -4.92 115.64 116.12 1d9k s THR 83 Ca 0.23 1.83 -0.12 0.00 0.31 0.00 0.00 61.69 63.94 1d9k s THR 83 Cb -0.15 -4.16 0.14 0.00 0.01 0.00 0.00 72.50 68.33 1d9k s THR 83 CO 0.10 0.43 1.11 0.20 -0.69 0.00 0.00 174.62 175.78 1d9k s ASN 84 N -1.06 3.45 0.00 3.53 -0.87 -1.26 -4.47 114.94 114.26 1d9k s ASN 84 Ca 0.43 1.15 -0.05 0.00 -1.57 0.00 0.00 52.86 52.82 1d9k s ASN 84 Cb -0.28 -1.80 -0.00 0.00 -0.02 0.00 0.00 41.25 39.14 1d9k s ASN 84 CO 0.36 -2.61 0.08 -1.61 -2.57 0.00 0.00 177.10 170.75 1d9k s GLU 85 N -5.13 0.40 -0.37 -0.60 0.41 0.21 -4.94 118.70 108.68 1d9k s GLU 85 Ca 0.64 -0.41 -0.20 0.00 -0.41 0.00 0.00 54.97 54.58 1d9k s GLU 85 Cb -0.16 0.16 0.01 0.00 -1.78 0.00 0.00 34.13 32.36 1d9k s GLU 85 CO 0.55 -0.09 0.62 0.00 -0.49 0.00 0.00 175.26 175.85 1d9k s ALA 86 N -1.28 3.44 0.93 5.21 0.00 -1.26 -4.02 121.76 124.78 1d9k s ALA 86 Ca -0.14 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1d9k s ALA 86 Cb -0.08 -3.18 0.15 0.00 0.00 0.00 0.00 23.12 20.01 1d9k s ALA 86 CO 0.01 -1.42 1.09 -1.25 0.00 0.00 0.00 175.76 174.19 1d9k s PRO 87 N 2.68 0.97 -0.09 0.00 0.04 -1.18 -4.81 135.00 132.61 1d9k s PRO 87 Ca 0.23 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 61.95 1d9k s PRO 87 Cb -0.15 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1d9k s PRO 87 CO 0.15 -2.40 -0.04 -1.14 0.04 0.00 0.00 177.00 173.61 1d9k s GLN 88 N -4.96 1.08 0.55 4.56 -0.44 -0.23 -4.93 119.66 115.30 1d9k s GLN 88 Ca 0.64 -0.08 -0.05 0.00 -2.50 0.00 0.00 55.36 53.37 1d9k s GLN 88 Cb -0.18 -1.28 -0.00 0.00 -1.64 0.00 0.00 33.01 29.91 1d9k s GLN 88 CO 0.57 -0.28 0.85 0.00 0.50 0.00 0.00 175.29 176.93 1d9k s ALA 89 N 1.80 3.38 -0.30 1.58 0.00 -1.26 -1.19 121.76 125.78 1d9k s ALA 89 Ca 0.04 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1d9k s ALA 89 Cb -0.12 -2.54 0.15 0.00 0.00 0.00 0.00 23.12 20.61 1d9k s ALA 89 CO -0.07 -0.67 0.81 0.99 0.00 0.00 0.00 175.76 176.82 1d9k s THR 90 N -2.89 -0.77 -0.12 0.00 2.01 0.03 -4.93 115.64 108.98 1d9k s THR 90 Ca 0.52 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.52 1d9k s THR 90 Cb -0.10 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1d9k s THR 90 CO 0.44 0.00 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.57 1d9k s VAL 91 N 2.69 3.23 0.11 3.82 1.01 -1.25 0.15 120.40 130.16 1d9k s VAL 91 Ca -0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1d9k s VAL 91 Cb -0.09 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1d9k s VAL 91 CO -0.18 0.53 0.29 0.72 0.00 0.00 0.00 175.10 176.46 1d9k s PHE 92 N 0.12 0.02 0.06 5.22 -0.12 0.18 -4.94 117.98 118.52 1d9k s PHE 92 Ca -0.05 -0.40 -0.19 0.00 -0.05 0.00 0.00 56.93 56.24 1d9k s PHE 92 Cb -0.15 0.08 -0.06 0.00 -0.63 0.00 0.00 43.02 42.26 1d9k s PHE 92 CO 0.04 -0.63 0.57 -1.25 -0.05 0.00 0.00 175.22 173.90 1d9k s PRO 93 N -3.85 4.21 0.29 1.99 0.04 -1.26 0.96 135.00 137.38 1d9k s PRO 93 Ca 0.05 0.73 -0.02 0.00 0.04 0.00 0.00 61.00 61.80 1d9k s PRO 93 Cb 0.03 -3.25 0.41 0.00 0.04 0.00 0.00 34.50 31.74 1d9k s PRO 93 CO -0.10 0.60 1.92 -0.22 0.04 0.00 0.00 177.00 179.24 1d9k h LYS 94 N 4.70 1.04 -5.01 4.56 3.64 -1.70 -3.43 116.57 120.36 1d9k h LYS 94 Ca -0.49 -0.10 -0.36 0.00 -1.27 0.00 0.00 60.65 58.43 1d9k h LYS 94 Cb 1.21 -0.21 -0.22 0.00 -0.41 0.00 0.00 32.23 32.60 1d9k h LYS 94 CO 0.64 0.74 -0.76 0.45 -2.27 0.00 0.00 179.45 178.25 1d9k s SER 95 N -6.36 1.33 -0.33 4.20 0.15 -1.26 -5.06 113.70 106.36 1d9k s SER 95 Ca -0.11 -0.56 -0.43 0.00 0.70 0.00 0.00 55.95 55.55 1d9k s SER 95 Cb 0.17 -0.02 -0.19 0.00 -1.71 0.00 0.00 66.02 64.27 1d9k s SER 95 CO 0.80 -0.11 1.36 -2.65 1.20 0.00 0.00 173.24 173.84 1d9k n PRO 96 N 1.46 0.00 -1.82 5.44 -0.02 -1.26 -4.77 135.00 134.03 1d9k n PRO 96 Ca -0.21 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.85 1d9k n PRO 96 Cb 0.54 -1.42 -0.03 0.00 -0.02 0.00 0.00 33.50 32.57 1d9k n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d9k s VAL 97 N 1.97 2.76 -0.31 -1.45 1.01 -1.26 -4.95 120.40 118.15 1d9k s VAL 97 Ca 0.95 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1d9k s VAL 97 Cb -1.36 -3.17 0.11 0.00 0.00 0.00 0.00 36.38 31.96 1d9k s VAL 97 CO 0.70 0.00 0.13 -0.76 0.00 0.00 0.00 175.10 175.18 1d9k s LEU 98 N 2.61 1.38 0.22 3.92 1.43 -1.26 -5.09 118.68 121.88 1d9k s LEU 98 Ca 0.77 -1.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.13 1d9k s LEU 98 Cb -0.43 -0.60 -0.10 0.00 0.03 0.00 0.00 46.19 45.09 1d9k s LEU 98 CO 0.34 -0.41 0.13 -0.11 0.23 0.00 0.00 176.35 176.54 1d9k n LEU 99 N 4.87 -1.56 0.00 1.79 7.94 -1.26 -1.42 117.00 127.37 1d9k n LEU 99 Ca -0.02 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 1d9k n LEU 99 Cb 0.41 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.78 1d9k n LEU 99 CO 0.09 -2.48 0.00 0.61 -1.11 0.00 0.00 177.39 174.50 1d9k n GLY 100 N 1.44 2.21 3.68 -3.96 0.00 -0.66 -4.90 105.19 102.99 1d9k n GLY 100 Ca 0.08 -0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1d9k n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1d9k n GLN 101 N 0.00 2.25 -0.50 1.61 7.27 -0.50 -4.54 117.38 122.97 1d9k n GLN 101 Ca 0.00 0.82 -0.29 0.00 0.07 0.00 0.00 57.00 57.60 1d9k n GLN 101 Cb 0.00 -2.63 0.25 0.00 2.41 0.00 0.00 30.24 30.27 1d9k n GLN 101 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1d9k n PRO 102 N 4.97 -2.38 -3.15 3.69 -0.04 -1.26 -3.95 135.00 132.87 1d9k n PRO 102 Ca 0.19 -0.66 -0.03 0.00 -0.04 0.00 0.00 63.50 62.96 1d9k n PRO 102 Cb 0.30 -2.13 0.02 0.00 -0.04 0.00 0.00 33.50 31.65 1d9k n PRO 102 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1d9k n ASN 103 N -4.64 -1.27 -3.71 3.54 5.15 0.12 -4.85 115.26 109.59 1d9k n ASN 103 Ca 0.03 -1.69 -0.22 0.00 -0.60 0.00 0.00 54.58 52.09 1d9k n ASN 103 Cb 0.55 2.08 -0.18 0.00 -0.53 0.00 0.00 39.78 41.70 1d9k n ASN 103 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1d9k s THR 104 N -2.22 0.13 0.23 -0.44 2.01 -1.26 -0.11 115.64 113.97 1d9k s THR 104 Ca 0.16 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1d9k s THR 104 Cb -0.02 -0.42 -0.09 0.00 0.01 0.00 0.00 72.50 71.99 1d9k s THR 104 CO 0.04 0.12 1.01 -0.76 -0.69 0.00 0.00 174.62 174.35 1d9k s LEU 105 N 2.07 4.58 -0.19 4.42 1.43 0.11 -1.73 118.68 129.36 1d9k s LEU 105 Ca 0.04 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.19 1d9k s LEU 105 Cb -0.13 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.50 1d9k s LEU 105 CO -0.05 -0.02 -0.17 -0.63 0.23 0.00 0.00 176.35 175.71 1d9k s ILE 106 N -0.88 2.22 -0.36 -0.59 1.01 0.27 0.00 121.20 122.88 1d9k s ILE 106 Ca 0.44 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1d9k s ILE 106 Cb -0.28 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1d9k s ILE 106 CO 0.35 0.47 0.22 0.00 0.00 0.00 0.00 174.94 175.99 1d9k s PHE 108 N 1.64 3.23 -0.20 0.00 5.36 0.39 -0.99 117.98 127.42 1d9k s PHE 108 Ca 0.04 0.29 -0.03 0.00 -0.96 0.00 0.00 56.93 56.28 1d9k s PHE 108 Cb -0.18 -2.54 -0.01 0.00 -0.34 0.00 0.00 43.02 39.95 1d9k s PHE 108 CO 0.08 -0.24 -0.08 0.08 -1.46 0.00 0.00 175.22 173.61 1d9k s VAL 109 N 1.99 3.19 0.46 3.12 1.01 -1.10 -0.79 120.40 128.29 1d9k s VAL 109 Ca 0.13 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.59 1d9k s VAL 109 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1d9k s VAL 109 CO 0.10 0.46 0.08 -0.62 0.00 0.00 0.00 175.10 175.13 1d9k s ASP 110 N 1.21 4.16 -1.31 3.32 -1.08 -0.33 -1.60 116.67 121.04 1d9k s ASP 110 Ca 0.02 -1.40 -0.04 0.00 -0.52 0.00 0.00 52.55 50.61 1d9k s ASP 110 Cb -0.14 0.01 -0.00 0.00 -1.46 0.00 0.00 42.92 41.33 1d9k s ASP 110 CO -0.03 -0.69 0.61 -3.20 0.52 0.00 0.00 175.17 172.39 1d9k n ASN 111 N -1.22 -1.71 -4.71 -0.34 5.15 -1.20 -1.06 115.26 110.17 1d9k n ASN 111 Ca -0.09 -0.92 -0.36 0.00 -0.60 0.00 0.00 54.58 52.60 1d9k n ASN 111 Cb 0.66 -3.59 -0.08 0.00 -0.53 0.00 0.00 39.78 36.25 1d9k n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1d9k s ILE 112 N -3.74 5.31 -0.30 -1.44 1.01 0.60 -3.12 121.20 119.53 1d9k s ILE 112 Ca 0.10 0.46 -0.19 0.00 0.00 0.00 0.00 60.65 61.02 1d9k s ILE 112 Cb -0.03 -3.60 0.20 0.00 0.01 0.00 0.00 42.46 39.04 1d9k s ILE 112 CO 0.85 0.37 1.30 0.12 0.00 0.00 0.00 174.94 177.58 1d9k s PHE 113 N 0.68 -0.04 1.17 3.97 5.36 -1.26 -1.03 117.98 126.83 1d9k s PHE 113 Ca 0.14 0.08 -0.13 0.00 -0.96 0.00 0.00 56.93 56.05 1d9k s PHE 113 Cb -0.13 0.03 0.27 0.00 -0.34 0.00 0.00 43.02 42.84 1d9k s PHE 113 CO 0.04 -0.02 0.90 -0.35 -1.46 0.00 0.00 175.22 174.32 1d9k n PRO 114 N 4.18 -2.35 -1.60 10.12 -0.04 -1.26 -0.62 135.00 143.43 1d9k n PRO 114 Ca -0.09 -0.66 -0.40 0.00 -0.04 0.00 0.00 63.50 62.32 1d9k n PRO 114 Cb 0.56 -2.12 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 1d9k n PRO 114 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1d9k n PRO 115 N -4.61 3.71 -3.84 0.54 -0.04 -1.26 -4.79 135.00 124.71 1d9k n PRO 115 Ca 0.03 -2.62 -0.22 0.00 -0.04 0.00 0.00 63.50 60.65 1d9k n PRO 115 Cb 0.55 -2.87 -0.17 0.00 -0.04 0.00 0.00 33.50 30.96 1d9k n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1d9k s VAL 116 N 1.60 0.36 0.34 0.52 1.01 -1.26 -5.08 120.40 117.90 1d9k s VAL 116 Ca 0.60 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1d9k s VAL 116 Cb 0.17 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 36.07 1d9k s VAL 116 CO -0.07 0.24 0.58 -0.51 0.00 0.00 0.00 175.10 175.35 1d9k s ILE 117 N 1.75 0.00 -0.42 2.22 2.07 -1.26 -4.65 121.20 120.90 1d9k s ILE 117 Ca 0.01 -1.37 0.05 0.00 -1.41 0.00 0.00 60.65 57.94 1d9k s ILE 117 Cb -0.13 -2.65 0.20 0.00 0.13 0.00 0.00 42.46 40.01 1d9k s ILE 117 CO -0.04 0.00 0.41 0.59 -1.91 0.00 0.00 174.94 173.99 1d9k n ASN 118 N -1.26 -0.07 -4.67 4.50 3.02 0.01 -4.98 115.26 111.82 1d9k n ASN 118 Ca -0.02 -2.53 -0.42 0.00 -0.03 0.00 0.00 54.58 51.58 1d9k n ASN 118 Cb 0.61 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 1d9k n ASN 118 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1d9k s ILE 119 N -0.45 4.85 0.09 2.41 1.01 -1.26 -1.47 121.20 126.38 1d9k s ILE 119 Ca 0.33 1.71 -0.04 0.00 0.00 0.00 0.00 60.65 62.66 1d9k s ILE 119 Cb 0.08 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1d9k s ILE 119 CO -0.17 0.01 0.07 0.28 0.00 0.00 0.00 174.94 175.13 1d9k s THR 120 N 2.23 0.16 0.34 2.92 -1.32 0.16 -4.99 115.64 115.14 1d9k s THR 120 Ca 0.40 -1.64 0.08 0.00 -1.21 0.00 0.00 61.69 59.32 1d9k s THR 120 Cb -0.17 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.16 1d9k s THR 120 CO 0.12 -0.73 0.13 0.26 -2.21 0.00 0.00 174.62 172.19 1d9k s TRP 121 N -3.94 2.70 -0.25 9.09 0.52 -1.26 0.13 118.94 125.94 1d9k s TRP 121 Ca 0.11 -0.38 -0.02 0.00 0.02 0.00 0.00 56.10 55.83 1d9k s TRP 121 Cb 0.07 -1.62 0.11 0.00 -1.15 0.00 0.00 33.47 30.88 1d9k s TRP 121 CO -0.07 0.35 0.26 -0.51 0.02 0.00 0.00 176.95 177.01 1d9k s LEU 122 N -3.84 -0.18 -0.15 2.99 1.43 -0.15 -3.09 118.68 115.69 1d9k s LEU 122 Ca 0.37 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.78 1d9k s LEU 122 Cb -0.03 0.47 -0.02 0.00 0.03 0.00 0.00 46.19 46.65 1d9k s LEU 122 CO 0.22 -0.35 0.84 -0.60 0.23 0.00 0.00 176.35 176.69 1d9k s ARG 123 N 2.35 4.32 -1.31 1.70 3.52 0.67 -1.36 118.95 128.85 1d9k s ARG 123 Ca 0.09 1.05 -0.09 0.00 -0.13 0.00 0.00 55.73 56.65 1d9k s ARG 123 Cb -0.15 -3.56 -0.00 0.00 -1.56 0.00 0.00 34.95 29.68 1d9k s ARG 123 CO -0.22 -0.30 0.56 0.09 -0.81 0.00 0.00 175.30 174.62 1d9k n ASN 124 N 5.09 -2.13 -3.90 -2.12 3.02 0.35 -1.67 115.26 113.89 1d9k n ASN 124 Ca 0.04 -1.02 -0.39 0.00 -0.03 0.00 0.00 54.58 53.18 1d9k n ASN 124 Cb 0.49 -3.11 0.03 0.00 -0.61 0.00 0.00 39.78 36.58 1d9k n ASN 124 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1d9k n SER 125 N -2.84 -4.68 -3.57 6.41 7.64 -1.24 -4.97 113.62 110.36 1d9k n SER 125 Ca -0.23 -1.16 -0.16 0.00 1.01 0.00 0.00 58.87 58.33 1d9k n SER 125 Cb 0.65 -2.30 -0.06 0.00 -1.01 0.00 0.00 64.21 61.48 1d9k n SER 125 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1d9k s LYS 126 N -6.67 0.93 0.28 1.43 1.02 -0.67 -5.09 119.74 110.98 1d9k s LYS 126 Ca 0.44 0.59 -0.30 0.00 0.02 0.00 0.00 55.97 56.73 1d9k s LYS 126 Cb -0.21 0.44 -0.13 0.00 -0.52 0.00 0.00 37.83 37.41 1d9k s LYS 126 CO 0.93 -0.21 1.37 0.45 -0.92 0.00 0.00 175.35 176.97 1d9k n SER 127 N 1.73 2.84 -4.13 2.83 2.88 -1.26 -0.23 113.62 118.27 1d9k n SER 127 Ca -0.16 1.17 -0.25 0.00 -1.33 0.00 0.00 58.87 58.30 1d9k n SER 127 Cb 0.56 -1.46 -0.16 0.00 -0.75 0.00 0.00 64.21 62.40 1d9k n SER 127 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1d9k s VAL 128 N -0.47 1.33 0.00 2.46 1.01 -1.18 -4.70 120.40 118.85 1d9k s VAL 128 Ca 0.63 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1d9k s VAL 128 Cb -0.61 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1d9k s VAL 128 CO 0.55 0.38 0.03 0.35 0.00 0.00 0.00 175.10 176.40 1d9k n THR 129 N 2.91 0.00 -3.73 3.92 -2.24 -1.26 -4.53 114.28 109.35 1d9k n THR 129 Ca -0.16 -0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 1d9k n THR 129 Cb 0.54 1.62 -0.12 0.00 -2.10 0.00 0.00 70.33 70.27 1d9k n THR 129 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1d9k s ASP 130 N -0.03 5.29 0.00 3.42 1.01 -1.26 -4.26 116.67 120.85 1d9k s ASP 130 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.09 1d9k s ASP 130 Cb 0.00 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.97 1d9k s ASP 130 CO 0.00 -0.03 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1d9k n GLY 131 N 4.93 1.16 3.23 0.21 0.00 -1.26 -4.87 105.19 108.59 1d9k n GLY 131 Ca -0.16 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1d9k n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d9k s VAL 132 N -2.00 3.48 -0.09 1.61 1.01 -1.26 -2.47 120.40 120.68 1d9k s VAL 132 Ca 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.75 1d9k s VAL 132 Cb 0.00 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1d9k s VAL 132 CO 0.00 -0.18 -0.21 -0.47 0.00 0.00 0.00 175.10 174.24 1d9k s TYR 133 N 1.34 2.59 0.53 5.22 5.04 -0.71 -4.96 117.35 126.40 1d9k s TYR 133 Ca -0.02 -0.75 0.04 0.00 -2.44 0.00 0.00 57.07 53.90 1d9k s TYR 133 Cb -0.20 -1.70 0.02 0.00 0.35 0.00 0.00 41.96 40.43 1d9k s TYR 133 CO 0.01 -0.24 0.27 -1.21 -1.34 0.00 0.00 175.55 173.05 1d9k s GLU 134 N 0.06 2.24 0.12 4.97 2.02 -1.26 0.96 118.70 127.82 1d9k s GLU 134 Ca -0.09 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.79 1d9k s GLU 134 Cb -0.15 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 1d9k s GLU 134 CO 0.06 -0.51 0.01 0.95 0.02 0.00 0.00 175.26 175.78 1d9k s THR 135 N -2.79 0.36 0.97 3.63 -4.23 -1.01 -4.95 115.64 107.62 1d9k s THR 135 Ca 0.26 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.75 1d9k s THR 135 Cb -0.01 -1.92 0.17 0.00 1.34 0.00 0.00 72.50 72.08 1d9k s THR 135 CO 0.16 -0.62 1.10 -0.44 -0.54 0.00 0.00 174.62 174.28 1d9k s SER 136 N -3.06 2.59 -0.06 3.99 0.01 -1.26 -4.70 113.70 111.22 1d9k s SER 136 Ca 0.19 1.85 -0.30 0.00 1.31 0.00 0.00 55.95 59.01 1d9k s SER 136 Cb 0.07 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 1d9k s SER 136 CO -0.01 -3.25 1.18 -0.36 0.41 0.00 0.00 173.24 171.22 1d9k s PHE 137 N -2.67 3.23 0.04 2.43 0.08 -1.26 -4.62 117.98 115.20 1d9k s PHE 137 Ca 0.66 1.25 -0.17 0.00 0.12 0.00 0.00 56.93 58.80 1d9k s PHE 137 Cb -0.22 -3.40 -0.06 0.00 -0.57 0.00 0.00 43.02 38.77 1d9k s PHE 137 CO 0.59 -1.21 0.49 -0.06 -0.10 0.00 0.00 175.22 174.93 1d9k s PHE 138 N 2.15 3.76 0.49 0.36 0.40 0.18 -4.89 117.98 120.44 1d9k s PHE 138 Ca 0.55 1.13 -0.22 0.00 -0.60 0.00 0.00 56.93 57.79 1d9k s PHE 138 Cb -0.24 -2.39 -0.07 0.00 0.51 0.00 0.00 43.02 40.83 1d9k s PHE 138 CO 0.22 0.62 1.16 0.14 0.70 0.00 0.00 175.22 178.06 1d9k s VAL 139 N -1.10 3.08 0.22 -0.44 -7.23 -1.26 -1.86 120.40 111.81 1d9k s VAL 139 Ca 0.26 0.77 0.11 0.00 -1.81 0.00 0.00 61.98 61.31 1d9k s VAL 139 Cb -0.18 -3.37 -0.05 0.00 0.56 0.00 0.00 36.38 33.35 1d9k s VAL 139 CO 0.16 -0.05 -0.19 0.20 -0.31 0.00 0.00 175.10 174.92 1d9k s ASN 140 N -1.46 3.71 0.39 4.85 0.01 -0.82 -4.83 114.94 116.79 1d9k s ASN 140 Ca 0.67 -0.84 0.13 0.00 -0.71 0.00 0.00 52.86 52.10 1d9k s ASN 140 Cb -0.28 -0.40 0.95 0.00 0.41 0.00 0.00 41.25 41.94 1d9k s ASN 140 CO 0.33 0.09 1.89 -0.09 -1.51 0.00 0.00 177.10 177.81 1d9k h ARG 141 N 2.80 0.52 -0.90 -0.60 2.43 -1.96 -0.82 114.38 115.86 1d9k h ARG 141 Ca -0.45 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.52 1d9k h ARG 141 Cb 1.22 -0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 30.56 1d9k h ARG 141 CO 0.53 0.35 0.21 -0.40 -1.51 0.00 0.00 179.97 179.15 1d9k n ASP 142 N -4.52 3.56 -3.67 -3.80 5.68 -1.26 -4.88 116.55 107.66 1d9k n ASP 142 Ca 0.16 -2.75 -0.22 0.00 -0.50 0.00 0.00 54.79 51.48 1d9k n ASP 142 Cb 0.52 -0.66 0.05 0.00 -1.14 0.00 0.00 41.12 39.89 1d9k n ASP 142 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1d9k n TYR 143 N -0.10 -2.12 -3.37 2.11 4.01 -0.31 -5.00 117.16 112.38 1d9k n TYR 143 Ca 0.26 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.89 1d9k n TYR 143 Cb 1.01 -4.53 0.00 0.00 -0.31 0.00 0.00 39.34 35.51 1d9k n TYR 143 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1d9k n SER 144 N -3.03 1.38 -3.88 7.72 3.41 -1.25 -4.94 113.62 113.02 1d9k n SER 144 Ca -0.21 -0.37 -0.10 0.00 -0.26 0.00 0.00 58.87 57.93 1d9k n SER 144 Cb 0.64 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.51 1d9k n SER 144 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1d9k s PHE 145 N -0.26 0.14 0.01 7.33 0.40 -0.19 -1.95 117.98 123.46 1d9k s PHE 145 Ca 0.00 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1d9k s PHE 145 Cb 0.00 -0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.43 1d9k s PHE 145 CO 0.00 -0.43 -0.02 -3.38 0.70 0.00 0.00 175.22 172.09 1d9k s HIS 146 N -2.87 0.20 -0.20 0.36 -3.43 -0.78 -0.29 115.29 108.28 1d9k s HIS 146 Ca -0.03 -0.36 -0.15 0.00 -0.80 0.00 0.00 55.06 53.72 1d9k s HIS 146 Cb 0.00 -0.14 0.06 0.00 -1.43 0.00 0.00 32.58 31.07 1d9k s HIS 146 CO -0.06 -0.12 0.51 0.21 -2.00 0.00 0.00 174.74 173.28 1d9k s LYS 147 N -0.99 0.56 0.06 -0.38 2.20 -0.63 0.48 119.74 121.04 1d9k s LYS 147 Ca -0.11 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 1d9k s LYS 147 Cb -0.07 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1d9k s LYS 147 CO -0.01 -0.11 0.20 -0.51 -0.36 0.00 0.00 175.35 174.57 1d9k s LEU 148 N 0.76 4.31 -0.02 5.43 1.02 -1.26 -2.71 118.68 126.21 1d9k s LEU 148 Ca -0.04 0.25 0.06 0.00 0.02 0.00 0.00 54.13 54.42 1d9k s LEU 148 Cb -0.05 -2.91 -0.01 0.00 0.02 0.00 0.00 46.19 43.24 1d9k s LEU 148 CO -0.06 0.17 -0.20 -0.55 0.02 0.00 0.00 176.35 175.74 1d9k s SER 149 N -2.48 2.34 0.17 2.29 0.15 -0.16 -2.39 113.70 113.62 1d9k s SER 149 Ca 0.34 -0.36 0.10 0.00 0.70 0.00 0.00 55.95 56.73 1d9k s SER 149 Cb -0.13 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 1d9k s SER 149 CO 0.27 0.24 -0.16 -0.31 1.20 0.00 0.00 173.24 174.49 1d9k s TYR 150 N -0.44 2.52 -0.30 3.44 2.02 0.27 -0.08 117.35 124.78 1d9k s TYR 150 Ca 0.07 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 1d9k s TYR 150 Cb -0.08 -1.27 0.13 0.00 -0.40 0.00 0.00 41.96 40.34 1d9k s TYR 150 CO -0.01 0.47 0.24 -1.17 -1.57 0.00 0.00 175.55 173.52 1d9k s LEU 151 N -2.60 0.11 0.47 -1.29 2.96 0.10 -1.74 118.68 116.70 1d9k s LEU 151 Ca 0.22 -1.11 -0.23 0.00 -0.22 0.00 0.00 54.13 52.79 1d9k s LEU 151 Cb -0.09 0.17 -0.07 0.00 0.50 0.00 0.00 46.19 46.70 1d9k s LEU 151 CO 0.12 -0.39 1.23 0.42 -1.32 0.00 0.00 176.35 176.41 1d9k s THR 152 N 2.10 2.81 0.16 3.68 -4.23 -1.03 0.05 115.64 119.18 1d9k s THR 152 Ca 0.11 0.62 -0.24 0.00 -1.18 0.00 0.00 61.69 61.00 1d9k s THR 152 Cb -0.15 -3.32 0.07 0.00 1.34 0.00 0.00 72.50 70.43 1d9k s THR 152 CO -0.29 0.01 1.00 0.72 -0.54 0.00 0.00 174.62 175.52 1d9k s PHE 153 N -1.45 -0.04 -0.43 3.99 -0.71 0.84 -4.88 117.98 115.30 1d9k s PHE 153 Ca 0.64 -0.30 -0.08 0.00 -1.04 0.00 0.00 56.93 56.16 1d9k s PHE 153 Cb -0.33 0.66 0.10 0.00 -1.21 0.00 0.00 43.02 42.24 1d9k s PHE 153 CO 0.40 -0.86 0.27 0.42 -1.34 0.00 0.00 175.22 174.11 1d9k s ILE 154 N -2.81 3.99 -0.90 -4.49 1.09 -1.26 -0.70 121.20 116.12 1d9k s ILE 154 Ca 0.16 -1.65 -0.20 0.00 -1.10 0.00 0.00 60.65 57.86 1d9k s ILE 154 Cb -0.02 -3.55 -0.24 0.00 -1.06 0.00 0.00 42.46 37.59 1d9k s ILE 154 CO 0.03 -0.62 2.23 -2.65 -0.10 0.00 0.00 174.94 173.84 1d9k n PRO 155 N 4.84 0.00 -4.12 2.79 -0.02 -1.25 -4.76 135.00 132.48 1d9k n PRO 155 Ca -0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 1d9k n PRO 155 Cb 0.42 -1.17 -0.09 0.00 -0.02 0.00 0.00 33.50 32.64 1d9k n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1d9k s SER 156 N 4.85 5.69 0.06 2.55 0.15 -1.26 -1.65 113.70 124.08 1d9k s SER 156 Ca 1.21 0.22 -0.19 0.00 0.70 0.00 0.00 55.95 57.89 1d9k s SER 156 Cb -0.99 -1.80 -0.08 0.00 -1.71 0.00 0.00 66.02 61.45 1d9k s SER 156 CO 0.47 0.32 1.30 0.44 1.20 0.00 0.00 173.24 176.97 1d9k h ASP 157 N 5.60 -0.91 -0.39 5.45 3.32 -1.99 -2.95 116.42 124.56 1d9k h ASP 157 Ca -0.47 0.10 -0.60 0.00 0.02 0.00 0.00 57.03 56.08 1d9k h ASP 157 Cb 1.20 0.34 -0.04 0.00 0.22 0.00 0.00 39.33 41.04 1d9k h ASP 157 CO 0.61 -0.29 2.50 -0.90 -1.72 0.00 0.00 179.24 179.44 1d9k n ASP 158 N -4.11 7.82 -3.90 6.45 5.68 -1.26 -4.89 116.55 122.35 1d9k n ASP 158 Ca -0.04 -2.76 -0.11 0.00 -0.50 0.00 0.00 54.79 51.39 1d9k n ASP 158 Cb 0.22 -1.46 -0.11 0.00 -1.14 0.00 0.00 41.12 38.63 1d9k n ASP 158 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1d9k s ASP 159 N 1.53 0.07 0.04 -1.12 1.11 -1.12 -5.05 116.67 112.13 1d9k s ASP 159 Ca 0.64 -0.21 -0.01 0.00 0.18 0.00 0.00 52.55 53.15 1d9k s ASP 159 Cb 0.22 0.17 -0.04 0.00 1.07 0.00 0.00 42.92 44.35 1d9k s ASP 159 CO -0.07 -0.28 -0.03 0.27 1.18 0.00 0.00 175.17 176.24 1d9k s ILE 160 N -1.10 0.20 0.04 0.77 -5.25 -1.26 -4.76 121.20 109.83 1d9k s ILE 160 Ca -0.12 -1.62 -0.05 0.00 -0.99 0.00 0.00 60.65 57.87 1d9k s ILE 160 Cb -0.07 -1.27 -0.01 0.00 2.95 0.00 0.00 42.46 44.06 1d9k s ILE 160 CO 0.00 -0.90 0.07 -0.31 -1.79 0.00 0.00 174.94 172.02 1d9k s TYR 161 N -3.43 0.23 -0.01 1.37 1.51 0.35 -0.50 117.35 116.87 1d9k s TYR 161 Ca 0.02 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1d9k s TYR 161 Cb 0.04 -0.17 0.00 0.00 -0.11 0.00 0.00 41.96 41.73 1d9k s TYR 161 CO -0.08 -0.35 0.02 -0.51 -1.11 0.00 0.00 175.55 173.52 1d9k s ASP 162 N -2.12 -0.02 -0.55 2.29 1.01 -0.46 -1.59 116.67 115.23 1d9k s ASP 162 Ca -0.05 0.05 -0.17 0.00 0.71 0.00 0.00 52.55 53.08 1d9k s ASP 162 Cb -0.01 0.04 0.10 0.00 1.01 0.00 0.00 42.92 44.06 1d9k s ASP 162 CO -0.05 -0.02 0.58 0.00 0.21 0.00 0.00 175.17 175.90 1d9k s LYS 164 N 2.17 4.28 -0.25 0.00 2.20 0.34 -2.87 119.74 125.61 1d9k s LYS 164 Ca 0.08 1.10 0.01 0.00 -0.36 0.00 0.00 55.97 56.80 1d9k s LYS 164 Cb -0.25 -3.60 0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1d9k s LYS 164 CO 0.06 -0.42 -0.10 0.08 -0.36 0.00 0.00 175.35 174.61 1d9k s VAL 165 N 2.45 2.35 -0.21 4.02 1.01 -0.09 0.37 120.40 130.29 1d9k s VAL 165 Ca 0.40 -1.42 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1d9k s VAL 165 Cb -0.16 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1d9k s VAL 165 CO 0.11 0.08 0.11 -0.70 0.00 0.00 0.00 175.10 174.69 1d9k s GLU 166 N 1.18 4.00 -0.02 2.72 2.12 -0.55 -1.65 118.70 126.50 1d9k s GLU 166 Ca -0.05 -0.32 -0.20 0.00 0.36 0.00 0.00 54.97 54.76 1d9k s GLU 166 Cb -0.18 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 30.87 1d9k s GLU 166 CO -0.06 0.14 0.42 -1.58 -0.54 0.00 0.00 175.26 173.65 1d9k s HIS 167 N 0.78 -0.33 -0.42 5.30 2.46 -1.26 -0.81 115.29 121.01 1d9k s HIS 167 Ca 0.06 0.51 0.21 0.00 0.47 0.00 0.00 55.06 56.31 1d9k s HIS 167 Cb -0.13 0.20 0.99 0.00 -0.13 0.00 0.00 32.58 33.51 1d9k s HIS 167 CO 0.02 -0.47 1.64 0.91 -2.47 0.00 0.00 174.74 174.38 1d9k n TRP 168 N 1.11 0.70 1.33 3.88 8.01 -1.26 -1.95 117.44 129.26 1d9k n TRP 168 Ca -0.21 0.31 0.00 0.00 -1.31 0.00 0.00 57.50 56.30 1d9k n TRP 168 Cb 0.57 -1.00 0.00 0.00 -2.01 0.00 0.00 31.31 28.86 1d9k n TRP 168 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1d9k n GLY 169 N -0.60 0.54 3.62 6.99 0.00 -1.26 -4.74 105.19 109.74 1d9k n GLY 169 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1d9k n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d9k s LEU 170 N -0.38 -0.59 -0.06 0.99 1.02 -0.82 -4.21 118.68 114.63 1d9k s LEU 170 Ca 0.00 1.08 -0.15 0.00 0.02 0.00 0.00 54.13 55.08 1d9k s LEU 170 Cb 0.00 2.18 -0.10 0.00 0.02 0.00 0.00 46.19 48.29 1d9k s LEU 170 CO 0.00 -0.24 0.58 -0.33 0.02 0.00 0.00 176.35 176.38 1d9k h GLU 171 N 4.37 -0.25 -5.13 1.70 3.07 -1.85 -3.43 114.58 113.05 1d9k h GLU 171 Ca -0.28 0.02 -0.62 0.00 -0.50 0.00 0.00 59.36 57.97 1d9k h GLU 171 Cb 1.17 0.06 -0.15 0.00 -0.84 0.00 0.00 28.75 28.99 1d9k h GLU 171 CO 0.11 0.03 -0.34 -1.83 -1.40 0.00 0.00 179.01 175.59 1d9k s GLU 172 N -2.86 4.04 1.04 2.33 4.04 -1.26 -5.06 118.70 120.97 1d9k s GLU 172 Ca -0.09 -0.06 -0.22 0.00 0.04 0.00 0.00 54.97 54.64 1d9k s GLU 172 Cb 0.00 -3.62 -0.03 0.00 0.02 0.00 0.00 34.13 30.50 1d9k s GLU 172 CO 0.30 -0.16 -0.71 -2.30 -1.84 0.00 0.00 175.26 170.55 1d9k n PRO 173 N 4.96 -0.87 -4.37 -4.83 -0.02 -1.26 -4.99 135.00 123.61 1d9k n PRO 173 Ca -0.11 -0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 60.81 1d9k n PRO 173 Cb 0.51 -1.34 -0.10 0.00 -0.02 0.00 0.00 33.50 32.55 1d9k n PRO 173 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d9k s VAL 174 N -2.11 3.58 -0.32 -1.45 1.01 -0.66 -4.95 120.40 115.51 1d9k s VAL 174 Ca 0.44 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1d9k s VAL 174 Cb -0.00 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.88 1d9k s VAL 174 CO 0.62 0.29 0.12 -0.76 0.00 0.00 0.00 175.10 175.37 1d9k s LEU 175 N -1.72 1.89 -0.09 3.92 1.43 -1.26 -0.92 118.68 121.94 1d9k s LEU 175 Ca 0.19 -1.66 -0.20 0.00 -1.03 0.00 0.00 54.13 51.42 1d9k s LEU 175 Cb -0.11 -0.76 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1d9k s LEU 175 CO 0.10 -0.41 0.57 -0.54 0.23 0.00 0.00 176.35 176.31 1d9k s LYS 176 N 1.60 4.37 -0.05 1.70 -0.14 -1.14 -4.90 119.74 121.18 1d9k s LYS 176 Ca 0.11 0.64 -0.04 0.00 -1.36 0.00 0.00 55.97 55.32 1d9k s LYS 176 Cb -0.18 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 1d9k s LYS 176 CO -0.25 0.14 0.14 -1.58 -0.76 0.00 0.00 175.35 173.05 1d9k s HIS 177 N 0.61 3.51 -0.18 3.18 5.65 -1.26 -1.23 115.29 125.56 1d9k s HIS 177 Ca 0.31 0.38 -0.19 0.00 0.25 0.00 0.00 55.06 55.81 1d9k s HIS 177 Cb -0.16 -1.85 0.05 0.00 -1.18 0.00 0.00 32.58 29.44 1d9k s HIS 177 CO 0.14 0.66 0.54 -0.46 -0.65 0.00 0.00 174.74 174.96 1d9k s TRP 178 N -1.18 -0.58 0.00 3.88 -0.00 -0.62 -4.93 118.94 115.50 1d9k s TRP 178 Ca 0.22 1.38 0.00 0.00 -0.00 0.00 0.00 56.10 57.69 1d9k s TRP 178 Cb -0.12 0.21 0.00 0.00 -0.00 0.00 0.00 33.47 33.56 1d9k s TRP 178 CO 0.12 -0.31 0.00 -0.85 -0.00 0.00 0.00 176.95 175.91 1d9k n GLU 179 N 2.59 0.00 -1.71 5.86 -0.00 -1.26 -0.50 120.64 125.62 1d9k n GLU 179 Ca -0.14 0.00 -0.40 0.00 -0.00 0.00 0.00 57.16 56.62 1d9k n GLU 179 Cb 0.56 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 32.03 1d9k n GLU 179 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1d9k n PRO 180 N 0.00 1.80 -0.75 3.44 -0.04 -1.26 -4.86 135.00 133.33 1d9k n PRO 180 Ca 0.00 0.65 0.07 0.00 -0.04 0.00 0.00 63.50 64.18 1d9k n PRO 180 Cb 0.00 -2.44 0.35 0.00 -0.04 0.00 0.00 33.50 31.37 1d9k n PRO 180 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1d9k n GLU 181 N -0.37 4.28 0.00 0.54 0.00 -1.26 -5.04 120.64 118.78 1d9k n GLU 181 Ca 0.08 -2.76 0.00 0.00 0.00 0.00 0.00 57.16 54.48 1d9k n GLU 181 Cb 0.42 -2.12 0.02 0.00 0.00 0.00 0.00 31.44 29.76 1d9k n GLU 181 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24