#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 2.48 0.28 0.38 -6.30 -1.26 -5.12 118.70 109.16 1d9k s GLU 2 Ca 0.00 -0.66 0.04 0.00 -2.50 0.00 0.00 54.97 51.85 1d9k s GLU 2 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 34.13 32.02 1d9k s GLU 2 CO 0.00 -0.05 0.20 0.00 0.02 0.00 0.00 175.26 175.43 1d9k s ALA 3 N 0.94 1.65 0.21 6.30 0.00 -1.26 -5.07 121.76 124.53 1d9k s ALA 3 Ca -0.06 -1.88 -0.07 0.00 0.00 0.00 0.00 51.96 49.95 1d9k s ALA 3 Cb -0.15 1.38 0.15 0.00 0.00 0.00 0.00 23.12 24.50 1d9k s ALA 3 CO -0.02 -0.61 1.70 -0.44 0.00 0.00 0.00 175.76 176.39 1d9k h ASP 4 N 2.32 1.01 -5.14 0.00 5.19 -2.08 -3.46 116.42 114.26 1d9k h ASP 4 Ca -0.30 -0.25 -0.10 0.00 -0.62 0.00 0.00 57.03 55.76 1d9k h ASP 4 Cb 1.24 -0.27 -0.15 0.00 0.18 0.00 0.00 39.33 40.33 1d9k h ASP 4 CO 0.45 1.02 -0.42 -1.00 -3.12 0.00 0.00 179.24 176.17 1d9k s HIS 5 N -5.12 0.17 -0.15 4.55 3.76 -1.26 -5.08 115.29 112.15 1d9k s HIS 5 Ca -0.11 -0.54 -0.00 0.00 -0.15 0.00 0.00 55.06 54.25 1d9k s HIS 5 Cb 0.14 -0.09 0.03 0.00 1.11 0.00 0.00 32.58 33.78 1d9k s HIS 5 CO 0.85 -0.48 -0.07 0.08 -0.85 0.00 0.00 174.74 174.26 1d9k s VAL 6 N -3.42 1.16 -0.45 -0.90 1.01 -1.26 -4.99 120.40 111.56 1d9k s VAL 6 Ca 0.02 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1d9k s VAL 6 Cb 0.03 -1.26 0.12 0.00 0.00 0.00 0.00 36.38 35.27 1d9k s VAL 6 CO -0.09 0.23 0.26 -0.83 0.00 0.00 0.00 175.10 174.68 1d9k s GLY 7 N 1.63 2.05 -0.94 4.51 0.00 -1.26 -0.72 107.32 112.58 1d9k s GLY 7 Ca 0.02 -2.60 -0.15 0.00 0.00 0.00 0.00 44.72 41.99 1d9k s GLY 7 CO -0.08 1.06 1.02 -0.45 0.00 0.00 0.00 173.10 174.65 1d9k s SER 8 N 1.98 6.80 -0.76 1.64 0.15 0.97 -4.97 113.70 119.52 1d9k s SER 8 Ca 0.08 -2.56 -0.22 0.00 0.70 0.00 0.00 55.95 53.96 1d9k s SER 8 Cb -0.23 -2.31 0.08 0.00 -1.71 0.00 0.00 66.02 61.85 1d9k s SER 8 CO -0.03 -0.76 1.05 -0.31 1.20 0.00 0.00 173.24 174.39 1d9k s TYR 9 N 1.19 2.76 0.00 3.44 2.02 -1.26 0.65 117.35 126.16 1d9k s TYR 9 Ca 0.28 -0.77 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1d9k s TYR 9 Cb -0.07 -4.33 0.00 0.00 -0.40 0.00 0.00 41.96 37.16 1d9k s TYR 9 CO -0.08 -1.65 0.00 0.41 -1.57 0.00 0.00 175.55 172.66 1d9k n GLY 9 N 5.48 -0.07 3.38 0.71 0.00 -0.32 -4.97 105.19 109.40 1d9k n GLY 9 Ca 0.06 -0.34 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1d9k n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d9k s ILE 10 N -1.43 5.13 0.17 -0.61 1.09 0.34 -4.78 121.20 121.12 1d9k s ILE 10 Ca 0.00 -1.81 -0.30 0.00 -1.10 0.00 0.00 60.65 57.44 1d9k s ILE 10 Cb 0.00 -4.57 -0.08 0.00 -1.06 0.00 0.00 42.46 36.75 1d9k s ILE 10 CO 0.00 -1.20 1.14 -0.89 -0.10 0.00 0.00 174.94 173.89 1d9k s THR 11 N 1.61 3.79 -0.03 2.92 2.01 -1.26 -2.92 115.64 121.76 1d9k s THR 11 Ca 0.21 1.51 -0.01 0.00 0.31 0.00 0.00 61.69 63.70 1d9k s THR 11 Cb -0.12 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.45 1d9k s THR 11 CO -0.05 0.24 0.05 -0.69 -0.69 0.00 0.00 174.62 173.48 1d9k s VAL 12 N -0.07 -0.09 0.06 3.82 1.01 -0.08 -4.96 120.40 120.10 1d9k s VAL 12 Ca 0.51 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.88 1d9k s VAL 12 Cb -0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1d9k s VAL 12 CO 0.35 0.13 -0.19 -0.47 0.00 0.00 0.00 175.10 174.92 1d9k s TYR 13 N 1.62 1.63 0.01 5.22 5.04 -1.26 -0.52 117.35 129.08 1d9k s TYR 13 Ca -0.02 -0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 54.13 1d9k s TYR 13 Cb -0.12 -0.94 0.00 0.00 0.35 0.00 0.00 41.96 41.25 1d9k s TYR 13 CO -0.03 0.11 0.17 -1.14 -1.34 0.00 0.00 175.55 173.32 1d9k s GLN 14 N -1.45 0.54 0.02 4.97 0.74 -0.47 -4.95 119.66 119.06 1d9k s GLN 14 Ca 0.05 -0.42 -0.02 0.00 0.05 0.00 0.00 55.36 55.02 1d9k s GLN 14 Cb -0.09 0.23 -0.02 0.00 1.10 0.00 0.00 33.01 34.23 1d9k s GLN 14 CO 0.02 -0.14 0.01 0.45 -0.55 0.00 0.00 175.29 175.09 1d9k s SER 15 N -1.50 0.23 0.79 6.67 0.15 -1.26 -0.58 113.70 118.20 1d9k s SER 15 Ca -0.13 -0.52 -0.06 0.00 0.70 0.00 0.00 55.95 55.94 1d9k s SER 15 Cb -0.06 0.15 0.14 0.00 -1.71 0.00 0.00 66.02 64.54 1d9k s SER 15 CO 0.01 -0.38 1.09 -2.16 1.20 0.00 0.00 173.24 173.00 1d9k s PRO 16 N -1.93 1.41 0.00 5.44 0.04 -1.26 -5.00 135.00 133.70 1d9k s PRO 16 Ca -0.11 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.08 1d9k s PRO 16 Cb -0.06 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1d9k s PRO 16 CO -0.02 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.71 1d9k n GLY 17 N -3.11 2.25 2.45 0.56 0.00 -1.26 -4.72 105.19 101.36 1d9k n GLY 17 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 1d9k n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d9k n ASP 18 N 0.00 -5.73 -4.80 1.61 -0.08 -1.24 -5.02 116.55 101.28 1d9k n ASP 18 Ca 0.00 0.08 -0.38 0.00 -1.51 0.00 0.00 54.79 52.98 1d9k n ASP 18 Cb 0.00 -3.77 -0.06 0.00 2.34 0.00 0.00 41.12 39.63 1d9k n ASP 18 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1d9k s ILE 19 N -2.70 5.08 -0.19 5.18 1.09 0.26 -4.94 121.20 124.98 1d9k s ILE 19 Ca 0.05 0.84 -0.21 0.00 -1.10 0.00 0.00 60.65 60.22 1d9k s ILE 19 Cb -0.01 -3.73 0.06 0.00 -1.06 0.00 0.00 42.46 37.72 1d9k s ILE 19 CO 0.48 0.51 0.59 -0.83 -0.10 0.00 0.00 174.94 175.59 1d9k s GLY 20 N -0.61 -0.45 -0.28 6.18 0.00 -1.24 -1.37 107.32 109.56 1d9k s GLY 20 Ca 0.24 1.57 -0.06 0.00 0.00 0.00 0.00 44.72 46.47 1d9k s GLY 20 CO 0.12 1.33 0.57 1.62 0.00 0.00 0.00 173.10 176.74 1d9k s GLN 21 N 0.07 0.52 -0.17 2.90 0.74 0.32 -4.96 119.66 119.08 1d9k s GLN 21 Ca -0.02 1.14 -0.06 0.00 0.05 0.00 0.00 55.36 56.47 1d9k s GLN 21 Cb -0.04 0.54 -0.04 0.00 1.10 0.00 0.00 33.01 34.58 1d9k s GLN 21 CO 0.02 -0.40 0.04 -0.47 -0.55 0.00 0.00 175.29 173.93 1d9k s TYR 22 N 2.81 3.20 -0.01 1.67 5.04 -1.26 -0.90 117.35 127.91 1d9k s TYR 22 Ca 0.06 -0.01 -0.08 0.00 -2.44 0.00 0.00 57.07 54.61 1d9k s TYR 22 Cb -0.13 -2.04 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1d9k s TYR 22 CO -0.18 0.12 0.15 0.95 -1.34 0.00 0.00 175.55 175.25 1d9k s THR 23 N 0.33 0.07 -0.12 4.34 -4.23 -1.15 -2.67 115.64 112.21 1d9k s THR 23 Ca 0.02 -0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1d9k s THR 23 Cb -0.13 -0.42 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 1d9k s THR 23 CO 0.01 -0.33 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.29 1d9k s PHE 24 N -1.20 2.83 0.06 3.99 0.40 -0.37 0.13 117.98 123.82 1d9k s PHE 24 Ca -0.13 -0.49 0.05 0.00 -0.60 0.00 0.00 56.93 55.76 1d9k s PHE 24 Cb -0.07 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 1d9k s PHE 24 CO 0.02 -0.10 -0.13 -1.21 0.70 0.00 0.00 175.22 174.49 1d9k s GLU 25 N 0.14 0.79 -0.15 0.44 2.02 0.21 -1.95 118.70 120.20 1d9k s GLU 25 Ca -0.06 -0.86 -0.06 0.00 0.02 0.00 0.00 54.97 54.01 1d9k s GLU 25 Cb -0.15 -0.76 0.07 0.00 0.10 0.00 0.00 34.13 33.39 1d9k s GLU 25 CO 0.04 0.17 0.32 0.12 0.02 0.00 0.00 175.26 175.94 1d9k s PHE 26 N -1.17 -0.54 0.00 1.61 5.36 -1.23 -0.02 117.98 121.98 1d9k s PHE 26 Ca -0.02 1.15 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 1d9k s PHE 26 Cb -0.09 0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 1d9k s PHE 26 CO 0.02 -0.38 0.00 -0.25 -1.46 0.00 0.00 175.22 173.15 1d9k n ASP 27 N 5.10 0.00 0.00 6.13 9.92 0.10 -2.80 116.55 135.00 1d9k n ASP 27 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1d9k n ASP 27 Cb 0.51 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 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 -1.75 1.64 3.91 0.44 0.00 -1.26 -4.95 105.19 103.21 1d9k n GLY 28 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 6.40 -0.47 1.61 1.01 -1.12 -5.01 116.67 117.09 1d9k s ASP 29 Ca 0.00 0.79 -0.28 0.00 0.71 0.00 0.00 52.55 53.77 1d9k s ASP 29 Cb 0.00 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.75 1d9k s ASP 29 CO 0.00 -0.32 1.56 -0.70 0.21 0.00 0.00 175.17 175.92 1d9k s GLU 30 N -3.95 3.29 -0.00 8.23 2.12 -1.26 -3.57 118.70 123.55 1d9k s GLU 30 Ca 0.45 0.83 -0.23 0.00 0.36 0.00 0.00 54.97 56.38 1d9k s GLU 30 Cb -0.10 -4.15 -0.13 0.00 0.26 0.00 0.00 34.13 30.01 1d9k s GLU 30 CO 0.34 -1.93 0.96 -0.07 -0.54 0.00 0.00 175.26 174.02 1d9k h LEU 31 N 13.46 -0.70 -7.16 2.70 3.38 -1.74 -3.36 115.31 121.88 1d9k h LEU 31 Ca -0.28 0.02 0.24 0.00 0.09 0.00 0.00 57.88 57.95 1d9k h LEU 31 Cb 1.12 0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.91 1d9k h LEU 31 CO 1.13 -0.31 0.71 0.72 0.09 0.00 0.00 178.44 180.77 1d9k s PHE 32 N -4.25 -0.14 0.20 1.13 -0.12 -1.18 -2.14 117.98 111.48 1d9k s PHE 32 Ca -0.12 0.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.79 1d9k s PHE 32 Cb 0.01 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 1d9k s PHE 32 CO 0.36 -0.38 0.07 1.52 -0.05 0.00 0.00 175.22 176.75 1d9k s TYR 33 N -2.68 1.27 -0.16 3.49 -0.85 -0.52 -1.23 117.35 116.68 1d9k s TYR 33 Ca 0.10 -1.19 -0.01 0.00 -0.52 0.00 0.00 57.07 55.46 1d9k s TYR 33 Cb 0.01 -0.71 -0.01 0.00 0.38 0.00 0.00 41.96 41.62 1d9k s TYR 33 CO -0.04 -0.39 -0.11 0.08 -1.52 0.00 0.00 175.55 173.57 1d9k s VAL 34 N -3.85 3.09 -0.93 -3.49 1.01 -1.09 -1.52 120.40 113.62 1d9k s VAL 34 Ca 0.32 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 1d9k s VAL 34 Cb 0.07 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1d9k s VAL 34 CO 0.09 0.50 1.52 -0.62 0.00 0.00 0.00 175.10 176.59 1d9k s ASP 35 N 0.68 6.16 0.00 3.32 2.15 -0.53 -4.70 116.67 123.75 1d9k s ASP 35 Ca -0.06 -1.04 0.00 0.00 0.43 0.00 0.00 52.55 51.88 1d9k s ASP 35 Cb -0.15 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1d9k s ASP 35 CO 0.02 -1.81 0.80 0.18 -0.17 0.00 0.00 175.17 174.18 1d9k n LEU 36 N 9.99 0.00 -0.01 -1.34 4.77 -1.26 0.28 117.00 129.43 1d9k n LEU 36 Ca 0.28 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.65 1d9k n LEU 36 Cb 0.50 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 1d9k n LEU 36 CO 0.66 -0.32 -0.51 0.47 -1.33 0.00 0.00 177.39 176.37 1d9k n ASP 37 N -1.30 1.31 -0.02 -1.43 8.00 -1.26 -4.35 116.55 117.51 1d9k n ASP 37 Ca 0.00 -0.22 0.06 0.00 0.71 0.00 0.00 54.79 55.34 1d9k n ASP 37 Cb 0.11 1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 42.65 1d9k n ASP 37 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1d9k n LYS 38 N -1.85 2.66 -3.60 -1.24 5.02 0.40 -4.99 118.16 114.56 1d9k n LYS 38 Ca -0.01 -0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 1d9k n LYS 38 Cb 0.35 -1.12 0.04 0.00 -0.02 0.00 0.00 35.03 34.29 1d9k n LYS 38 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d9k n LYS 39 N -1.25 -2.84 -4.13 1.97 5.02 0.14 -4.98 118.16 112.09 1d9k n LYS 39 Ca 0.03 0.60 -0.15 0.00 -2.02 0.00 0.00 58.31 56.77 1d9k n LYS 39 Cb 0.21 -4.88 -0.13 0.00 -0.02 0.00 0.00 35.03 30.21 1d9k n LYS 39 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1d9k s GLU 40 N -5.66 0.52 -0.29 1.97 2.12 -1.18 -4.82 118.70 111.35 1d9k s GLU 40 Ca 0.29 -0.51 -0.16 0.00 0.36 0.00 0.00 54.97 54.94 1d9k s GLU 40 Cb -0.08 -0.40 -0.02 0.00 0.26 0.00 0.00 34.13 33.89 1d9k s GLU 40 CO 0.82 0.09 0.43 0.99 -0.54 0.00 0.00 175.26 177.05 1d9k s THR 41 N -0.79 5.12 -0.19 -1.70 2.01 -1.26 -1.45 115.64 117.38 1d9k s THR 41 Ca -0.04 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1d9k s THR 41 Cb -0.06 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1d9k s THR 41 CO 0.00 0.03 -0.17 0.68 -0.69 0.00 0.00 174.62 174.47 1d9k s VAL 42 N 2.18 2.32 0.13 3.82 -7.23 -0.57 -5.01 120.40 116.03 1d9k s VAL 42 Ca 0.16 -0.86 -0.07 0.00 -1.81 0.00 0.00 61.98 59.41 1d9k s VAL 42 Cb -0.16 -2.00 -0.06 0.00 0.56 0.00 0.00 36.38 34.73 1d9k s VAL 42 CO 0.11 0.51 0.40 0.26 -0.31 0.00 0.00 175.10 176.07 1d9k s TRP 43 N 1.33 3.50 0.23 2.82 0.52 -1.26 -1.44 118.94 124.64 1d9k s TRP 43 Ca 0.05 0.65 -0.04 0.00 0.02 0.00 0.00 56.10 56.78 1d9k s TRP 43 Cb -0.13 -2.07 0.23 0.00 -1.15 0.00 0.00 33.47 30.34 1d9k s TRP 43 CO -0.11 0.44 1.69 1.98 0.02 0.00 0.00 176.95 180.98 1d9k h MET 44 N 3.07 0.85 -3.90 4.98 1.85 -1.58 -3.38 114.93 116.82 1d9k h MET 44 Ca -0.47 -0.27 -0.68 0.00 -0.61 0.00 0.00 59.70 57.67 1d9k h MET 44 Cb 1.17 -0.08 -0.37 0.00 0.43 0.00 0.00 31.60 32.76 1d9k h MET 44 CO 0.70 0.90 -0.50 -0.51 -0.40 0.00 0.00 176.91 177.10 1d9k s LEU 45 N -9.12 5.01 0.00 3.39 1.02 -1.26 -5.05 118.68 112.68 1d9k s LEU 45 Ca -0.10 -2.60 0.00 0.00 0.02 0.00 0.00 54.13 51.45 1d9k s LEU 45 Cb 0.14 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.57 1d9k s LEU 45 CO 0.83 -0.39 0.14 -2.65 0.02 0.00 0.00 176.35 174.30 1d9k n PRO 46 N 3.78 0.00 0.00 1.29 -0.02 -1.26 -0.85 135.00 137.94 1d9k n PRO 46 Ca 0.04 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1d9k n PRO 46 Cb 0.38 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 1d9k n PRO 46 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1d9k n GLU 47 N -0.63 0.00 0.06 -0.52 0.00 -1.26 0.14 120.64 118.43 1d9k n GLU 47 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 57.16 57.20 1d9k n GLU 47 Cb 0.00 -1.63 0.12 0.00 0.00 0.00 0.00 31.44 29.93 1d9k n GLU 47 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1d9k h PHE 48 N 0.00 0.43 0.00 -1.84 3.57 -1.40 -3.38 116.94 114.32 1d9k h PHE 48 Ca 0.00 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1d9k h PHE 48 Cb 0.25 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1d9k h PHE 48 CO 0.00 0.81 0.00 0.00 -2.23 0.00 0.00 178.31 176.89 1d9k n ALA 49 N -2.49 0.00 -0.66 2.41 0.00 0.37 -3.68 120.51 116.47 1d9k n ALA 49 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 1d9k n ALA 49 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 1d9k n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d9k n GLN 50 N 0.00 0.00 0.00 0.00 10.64 -1.26 0.10 117.38 126.86 1d9k n GLN 50 Ca 0.00 -0.64 0.00 0.00 -1.83 0.00 0.00 57.00 54.53 1d9k n GLN 50 Cb 0.00 -1.96 0.00 0.00 -0.86 0.00 0.00 30.24 27.42 1d9k n GLN 50 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1d9k n LEU 51 N 6.97 0.00 0.00 2.61 4.77 -1.24 -5.07 117.00 125.03 1d9k n LEU 51 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1d9k n LEU 51 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1d9k n LEU 51 CO 0.85 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 174.80 1d9k n ARG 52 N 0.00 0.00 -3.70 3.23 1.85 0.29 -5.13 116.66 113.20 1d9k n ARG 52 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 1d9k n ARG 52 Cb 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 1d9k n ARG 52 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1d9k s ARG 53 N -1.69 0.53 -0.12 2.89 3.00 -1.26 -4.50 118.95 117.80 1d9k s ARG 53 Ca 0.00 0.73 0.01 0.00 -1.00 0.00 0.00 55.73 55.47 1d9k s ARG 53 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 34.95 35.13 1d9k s ARG 53 CO 0.00 -0.09 -0.14 0.12 0.00 0.00 0.00 175.30 175.18 1d9k s PHE 54 N 0.63 2.77 -0.30 5.12 5.36 -1.26 -5.10 117.98 125.21 1d9k s PHE 54 Ca -0.03 -0.62 -0.29 0.00 -0.96 0.00 0.00 56.93 55.03 1d9k s PHE 54 Cb -0.05 -1.81 0.01 0.00 -0.34 0.00 0.00 43.02 40.84 1d9k s PHE 54 CO -0.04 -0.18 1.13 -2.00 -1.46 0.00 0.00 175.22 172.67 1d9k s GLU 55 N 0.22 4.07 0.34 10.12 2.56 -1.26 -4.74 118.70 130.02 1d9k s GLU 55 Ca -0.09 1.18 0.15 0.00 0.00 0.00 0.00 54.97 56.20 1d9k s GLU 55 Cb -0.15 -3.76 1.12 0.00 2.00 0.00 0.00 34.13 33.33 1d9k s GLU 55 CO 0.05 -0.91 1.63 -1.00 -0.56 0.00 0.00 175.26 174.48 1d9k h PRO 56 N 8.28 0.20 -0.21 4.30 0.13 -1.92 -2.65 132.00 140.12 1d9k h PRO 56 Ca -0.22 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.92 1d9k h PRO 56 Cb 1.07 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1d9k h PRO 56 CO 1.02 0.13 -0.12 1.04 -0.23 0.00 0.00 178.00 179.84 1d9k n GLN 57 N -5.15 -0.09 -0.34 0.86 1.13 -1.26 0.45 117.38 112.97 1d9k n GLN 57 Ca 0.32 0.82 0.30 0.00 -1.94 0.00 0.00 57.00 56.51 1d9k n GLN 57 Cb 1.04 -1.22 0.52 0.00 0.11 0.00 0.00 30.24 30.68 1d9k n GLN 57 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1d9k n GLY 58 N -1.05 -0.65 0.27 1.08 0.00 -1.00 0.05 105.19 103.89 1d9k n GLY 58 Ca 0.00 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 1d9k n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1d9k h GLY 59 N 0.00 -0.63 0.03 -0.02 0.00 -0.19 -2.82 103.07 99.44 1d9k h GLY 59 Ca 0.69 0.23 0.15 0.00 0.00 0.00 0.00 47.33 48.40 1d9k h GLY 59 CO -0.42 -0.23 0.24 1.41 0.00 0.00 0.00 176.54 177.54 1d9k h LEU 60 N -1.02 0.15 0.15 3.11 4.07 -0.26 1.36 115.31 122.88 1d9k h LEU 60 Ca -0.06 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1d9k h LEU 60 Cb 0.56 0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.41 1d9k h LEU 60 CO 0.10 0.03 -0.37 1.56 -1.08 0.00 0.00 178.44 178.68 1d9k h GLN 61 N 0.35 -0.56 -0.48 1.13 4.20 -1.32 0.46 115.11 118.90 1d9k h GLN 61 Ca 0.42 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.15 1d9k h GLN 61 Cb 0.69 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 1d9k h GLN 61 CO -0.46 -0.37 0.24 -0.91 -0.67 0.00 0.00 178.83 176.66 1d9k h ASN 62 N -0.58 0.59 0.13 1.46 4.21 -1.07 0.18 115.58 120.50 1d9k h ASN 62 Ca -0.01 -0.05 0.02 0.00 1.21 0.00 0.00 56.30 57.47 1d9k h ASN 62 Cb 0.56 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.58 1d9k h ASN 62 CO -0.16 0.50 -0.28 0.40 -1.29 0.00 0.00 177.43 176.59 1d9k h ILE 63 N 0.66 0.40 -0.67 2.81 1.08 0.26 0.41 117.51 122.46 1d9k h ILE 63 Ca 0.17 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 1d9k h ILE 63 Cb 0.06 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 1d9k h ILE 63 CO -0.02 0.00 0.42 0.00 -0.69 0.00 0.00 178.15 177.86 1d9k h ALA 64 N 0.21 0.86 -1.01 1.87 0.00 0.60 -1.16 119.26 120.63 1d9k h ALA 64 Ca 0.03 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1d9k h ALA 64 Cb 0.52 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1d9k h ALA 64 CO -0.16 0.31 0.63 1.15 0.00 0.00 0.00 179.25 181.19 1d9k h THR 65 N 0.91 0.89 0.26 0.00 2.02 0.20 -1.30 112.91 115.89 1d9k h THR 65 Ca 0.24 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1d9k h THR 65 Cb -0.06 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.19 1d9k h THR 65 CO -0.05 0.18 -0.14 1.23 0.37 0.00 0.00 175.52 177.11 1d9k h GLY 66 N 0.97 -0.38 -0.28 2.16 0.00 0.10 -1.71 103.07 103.92 1d9k h GLY 66 Ca 0.51 0.15 0.24 0.00 0.00 0.00 0.00 47.33 48.23 1d9k h GLY 66 CO -0.28 -0.14 0.43 1.70 0.00 0.00 0.00 176.54 178.24 1d9k h LYS 67 N -0.37 0.38 0.00 4.80 3.64 -0.75 0.21 116.57 124.47 1d9k h LYS 67 Ca -0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1d9k h LYS 67 Cb 0.29 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1d9k h LYS 67 CO 0.05 0.25 0.00 1.58 -2.27 0.00 0.00 179.45 179.06 1d9k n HIS 68 N -5.05 0.00 -0.27 1.91 -0.00 -0.84 -2.85 115.22 108.12 1d9k n HIS 68 Ca 0.24 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.46 1d9k n HIS 68 Cb 0.73 -0.39 0.12 0.00 -0.12 0.00 0.00 29.99 30.32 1d9k n HIS 68 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1d9k h ASN 69 N 0.00 -0.64 -0.66 0.26 2.35 -0.56 -0.82 115.58 115.51 1d9k h ASN 69 Ca 0.00 0.23 0.10 0.00 -0.55 0.00 0.00 56.30 56.08 1d9k h ASN 69 Cb 0.00 0.46 -0.11 0.00 0.05 0.00 0.00 38.32 38.71 1d9k h ASN 69 CO 0.00 -0.25 -0.43 0.25 -1.65 0.00 0.00 177.43 175.35 1d9k h LEU 70 N 0.02 -1.51 0.16 1.61 5.85 -0.63 0.36 115.31 121.16 1d9k h LEU 70 Ca 0.39 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 59.37 1d9k h LEU 70 Cb 0.64 0.70 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 1d9k h LEU 70 CO -0.78 -0.32 -0.10 -0.33 -0.34 0.00 0.00 178.44 176.57 1d9k h GLU 71 N -0.18 -0.23 -0.56 1.25 5.08 -1.03 0.33 114.58 119.24 1d9k h GLU 71 Ca 0.20 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 1d9k h GLU 71 Cb 0.56 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.77 1d9k h GLU 71 CO -0.74 -0.16 -0.22 -0.89 -1.00 0.00 0.00 179.01 176.00 1d9k n ILE 72 N -2.83 -0.30 -0.10 3.13 2.08 -0.72 0.17 119.36 120.79 1d9k n ILE 72 Ca -0.03 1.31 -0.11 0.00 0.56 0.00 0.00 62.75 64.49 1d9k n ILE 72 Cb 0.10 -1.74 -0.03 0.00 -0.75 0.00 0.00 39.64 37.22 1d9k n ILE 72 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1d9k h LEU 73 N 0.00 0.52 -0.47 1.39 -0.00 -0.09 0.14 115.31 116.80 1d9k h LEU 73 Ca 0.20 -0.30 0.09 0.00 -0.00 0.00 0.00 57.88 57.87 1d9k h LEU 73 Cb 0.34 -0.14 -0.08 0.00 -0.00 0.00 0.00 40.66 40.77 1d9k h LEU 73 CO -0.56 0.69 -0.07 0.74 -0.00 0.00 0.00 178.44 179.24 1d9k h THR 74 N 0.33 0.57 -0.36 0.22 2.02 0.58 0.94 112.91 117.21 1d9k h THR 74 Ca 0.09 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 1d9k h THR 74 Cb 0.42 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1d9k h THR 74 CO 0.01 0.01 0.06 0.11 0.37 0.00 0.00 175.52 176.08 1d9k h LYS 75 N 0.04 0.60 0.00 6.66 1.57 -0.66 0.71 116.57 125.49 1d9k h LYS 75 Ca 0.23 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1d9k h LYS 75 Cb 0.35 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1d9k h LYS 75 CO -0.45 0.66 -0.04 0.00 -0.57 0.00 0.00 179.45 179.06 1d9k h ARG 76 N 0.44 0.00 -0.56 3.15 2.47 0.92 -0.74 114.38 120.05 1d9k h ARG 76 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1d9k h ARG 76 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1d9k h ARG 76 CO 0.01 0.04 0.00 -1.13 0.56 0.00 0.00 179.97 179.44 1d9k n SER 77 N -3.28 4.25 -2.89 7.04 3.41 0.31 -4.94 113.62 117.52 1d9k n SER 77 Ca -0.02 -2.38 -0.20 0.00 -0.26 0.00 0.00 58.87 56.02 1d9k n SER 77 Cb 0.19 -0.50 0.01 0.00 -0.26 0.00 0.00 64.21 63.64 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 0.90 -4.97 -1.57 4.04 4.13 -0.28 -1.86 115.26 115.65 1d9k n ASN 78 Ca 0.23 -0.17 -0.10 0.00 1.68 0.00 0.00 54.58 56.22 1d9k n ASN 78 Cb 0.78 -4.09 0.02 0.00 -1.54 0.00 0.00 39.78 34.95 1d9k n ASN 78 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1d9k n SER 79 N -2.23 -3.65 -4.67 6.41 7.64 0.24 -4.98 113.62 112.39 1d9k n SER 79 Ca -0.12 -0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.18 1d9k n SER 79 Cb 0.61 -2.45 -0.03 0.00 -1.01 0.00 0.00 64.21 61.34 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 -2.91 3.74 0.86 0.44 2.01 -0.78 -4.99 115.64 114.01 1d9k s THR 80 Ca 0.17 0.99 -0.12 0.00 0.31 0.00 0.00 61.69 63.04 1d9k s THR 80 Cb -0.07 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 68.91 1d9k s THR 80 CO 0.21 -0.06 1.17 -2.16 -0.69 0.00 0.00 174.62 173.09 1d9k s PRO 81 N 3.32 1.56 0.28 4.92 0.04 -1.26 -5.00 135.00 138.86 1d9k s PRO 81 Ca 0.66 0.17 -0.15 0.00 0.04 0.00 0.00 61.00 61.73 1d9k s PRO 81 Cb -0.31 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 1d9k s PRO 81 CO 0.26 -1.88 0.69 0.00 0.04 0.00 0.00 177.00 176.11 1d9k s ALA 82 N -3.46 3.39 -0.26 8.56 0.00 -1.26 -5.05 121.76 123.68 1d9k s ALA 82 Ca 0.63 0.01 -0.10 0.00 0.00 0.00 0.00 51.96 52.50 1d9k s ALA 82 Cb -0.12 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1d9k s ALA 82 CO 0.51 0.37 0.16 0.99 0.00 0.00 0.00 175.76 177.78 1d9k s THR 83 N -1.85 5.17 0.77 0.00 2.01 -1.26 -5.04 115.64 115.44 1d9k s THR 83 Ca 0.50 0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.47 1d9k s THR 83 Cb -0.12 -3.43 0.03 0.00 0.01 0.00 0.00 72.50 69.00 1d9k s THR 83 CO 0.19 0.31 0.99 0.59 -0.69 0.00 0.00 174.62 176.01 1d9k n ASN 84 N 4.67 0.42 -3.66 3.53 4.13 -1.26 -4.59 115.26 118.50 1d9k n ASN 84 Ca -0.15 0.61 -0.08 0.00 1.68 0.00 0.00 54.58 56.65 1d9k n ASN 84 Cb 0.52 -1.42 -0.09 0.00 -1.54 0.00 0.00 39.78 37.25 1d9k n ASN 84 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1d9k s GLU 85 N -3.61 0.44 0.36 3.52 0.41 -0.75 -4.91 118.70 114.15 1d9k s GLU 85 Ca 0.72 1.06 -0.26 0.00 -0.41 0.00 0.00 54.97 56.07 1d9k s GLU 85 Cb -0.32 0.29 -0.09 0.00 -1.78 0.00 0.00 34.13 32.23 1d9k s GLU 85 CO 0.52 -0.20 1.15 0.00 -0.49 0.00 0.00 175.26 176.23 1d9k s ALA 86 N 2.18 3.24 0.73 5.21 0.00 -1.25 -4.09 121.76 127.77 1d9k s ALA 86 Ca -0.06 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1d9k s ALA 86 Cb -0.10 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1d9k s ALA 86 CO -0.15 -0.40 0.00 -0.35 0.00 0.00 0.00 175.76 174.87 1d9k n PRO 87 N 0.40 1.81 -2.87 0.00 -0.04 -1.20 -4.77 135.00 128.33 1d9k n PRO 87 Ca 0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1d9k n PRO 87 Cb 0.46 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.93 1d9k n PRO 87 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1d9k s GLN 88 N 0.85 0.53 1.07 0.54 -0.21 -1.11 -4.94 119.66 116.39 1d9k s GLN 88 Ca 0.00 -0.33 -0.14 0.00 0.02 0.00 0.00 55.36 54.90 1d9k s GLN 88 Cb 0.00 0.02 0.15 0.00 1.00 0.00 0.00 33.01 34.19 1d9k s GLN 88 CO 0.00 -0.72 0.58 0.00 -2.12 0.00 0.00 175.29 173.03 1d9k n ALA 89 N 3.54 -2.93 -2.98 6.09 0.00 -1.26 -3.24 120.51 119.73 1d9k n ALA 89 Ca 0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 53.44 52.54 1d9k n ALA 89 Cb 0.60 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1d9k n ALA 89 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1d9k s THR 90 N -2.39 -0.94 0.55 0.00 2.01 0.21 -4.89 115.64 110.20 1d9k s THR 90 Ca 0.62 -0.44 -0.15 0.00 0.31 0.00 0.00 61.69 62.02 1d9k s THR 90 Cb -0.20 0.00 -0.06 0.00 0.01 0.00 0.00 72.50 72.25 1d9k s THR 90 CO 0.65 0.00 1.01 -0.69 -0.69 0.00 0.00 174.62 174.90 1d9k s VAL 91 N 1.40 4.44 0.00 3.82 1.01 -1.25 -2.87 120.40 126.95 1d9k s VAL 91 Ca 0.22 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1d9k s VAL 91 Cb -0.01 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1d9k s VAL 91 CO -0.07 -0.76 0.00 2.22 0.00 0.00 0.00 175.10 176.50 1d9k n PHE 92 N -1.93 0.00 -2.75 5.22 1.16 -0.92 -4.97 117.46 113.26 1d9k n PHE 92 Ca 0.07 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.45 1d9k n PHE 92 Cb 0.54 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.44 1d9k n PHE 92 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1d9k s PRO 93 N -2.00 2.61 0.00 3.97 0.04 -1.26 0.02 135.00 138.38 1d9k s PRO 93 Ca 0.00 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.10 1d9k s PRO 93 Cb 0.00 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1d9k s PRO 93 CO 0.00 -0.59 0.05 1.17 0.04 0.00 0.00 177.00 177.67 1d9k n LYS 94 N -2.20 0.00 -3.11 4.56 4.81 -0.96 -4.86 118.16 116.39 1d9k n LYS 94 Ca 0.08 0.17 -0.25 0.00 -0.87 0.00 0.00 58.31 57.44 1d9k n LYS 94 Cb 0.60 -0.71 -0.01 0.00 0.02 0.00 0.00 35.03 34.93 1d9k n LYS 94 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1d9k s SER 95 N -1.71 6.23 0.11 3.14 0.01 -1.26 -5.01 113.70 115.22 1d9k s SER 95 Ca 0.00 0.57 -0.21 0.00 1.31 0.00 0.00 55.95 57.63 1d9k s SER 95 Cb 0.00 -2.04 -0.12 0.00 0.21 0.00 0.00 66.02 64.07 1d9k s SER 95 CO 0.00 -0.43 0.43 -2.65 0.41 0.00 0.00 173.24 171.00 1d9k n PRO 96 N -1.96 0.00 -1.44 12.44 -0.02 -1.26 -4.66 135.00 138.10 1d9k n PRO 96 Ca -0.03 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 1d9k n PRO 96 Cb 0.56 -0.75 -0.07 0.00 -0.02 0.00 0.00 33.50 33.22 1d9k n PRO 96 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1d9k n VAL 97 N 0.21 1.43 -4.17 -1.45 0.31 -1.26 -4.88 118.33 108.53 1d9k n VAL 97 Ca 0.12 -1.37 -0.35 0.00 -0.01 0.00 0.00 64.34 62.73 1d9k n VAL 97 Cb 0.15 -2.19 -0.09 0.00 -0.91 0.00 0.00 33.84 30.80 1d9k n VAL 97 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1d9k s LEU 98 N 6.28 3.79 0.45 7.52 1.43 -1.26 -4.72 118.68 132.16 1d9k s LEU 98 Ca 0.65 0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 53.69 1d9k s LEU 98 Cb 0.07 -1.91 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 1d9k s LEU 98 CO 0.16 0.31 1.19 -0.22 0.23 0.00 0.00 176.35 178.02 1d9k s LEU 99 N -0.45 4.06 0.00 1.79 2.96 -1.26 -2.57 118.68 123.21 1d9k s LEU 99 Ca 0.09 2.38 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 1d9k s LEU 99 Cb -0.12 -4.17 0.00 0.00 0.50 0.00 0.00 46.19 42.40 1d9k s LEU 99 CO 0.02 -0.91 0.00 0.61 -1.32 0.00 0.00 176.35 174.75 1d9k n GLY 100 N 0.53 0.23 3.30 7.98 0.00 -1.23 -4.95 105.19 111.05 1d9k n GLY 100 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1d9k n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1d9k s GLN 101 N -1.10 2.80 0.04 1.61 0.74 -1.06 -5.00 119.66 117.69 1d9k s GLN 101 Ca 0.00 -1.56 -0.35 0.00 0.05 0.00 0.00 55.36 53.50 1d9k s GLN 101 Cb 0.00 -4.07 -0.14 0.00 1.10 0.00 0.00 33.01 29.90 1d9k s GLN 101 CO 0.00 -1.13 1.62 -0.35 -0.55 0.00 0.00 175.29 174.88 1d9k n PRO 102 N 5.10 1.85 0.00 1.67 -0.04 -1.26 -4.14 135.00 138.18 1d9k n PRO 102 Ca -0.11 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1d9k n PRO 102 Cb 0.42 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1d9k n PRO 102 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1d9k n ASN 103 N 4.24 0.23 -3.69 3.54 3.02 0.94 -4.94 115.26 118.60 1d9k n ASN 103 Ca 0.20 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.64 1d9k n ASN 103 Cb 0.25 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.31 1d9k n ASN 103 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1d9k s THR 104 N 0.33 -0.09 -0.38 3.41 -4.23 -1.26 -0.55 115.64 112.86 1d9k s THR 104 Ca 0.00 0.11 -0.23 0.00 -1.18 0.00 0.00 61.69 60.39 1d9k s THR 104 Cb 0.00 -0.59 0.01 0.00 1.34 0.00 0.00 72.50 73.27 1d9k s THR 104 CO 0.00 0.05 0.76 -0.76 -0.54 0.00 0.00 174.62 174.13 1d9k s LEU 105 N 1.52 4.17 0.36 4.79 1.43 0.38 -2.26 118.68 129.07 1d9k s LEU 105 Ca -0.09 0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 1d9k s LEU 105 Cb -0.09 -2.98 -0.08 0.00 0.03 0.00 0.00 46.19 43.07 1d9k s LEU 105 CO -0.12 -0.74 0.77 -0.63 0.23 0.00 0.00 176.35 175.85 1d9k s ILE 106 N 3.07 4.68 -0.37 -0.59 1.09 0.10 -1.72 121.20 127.46 1d9k s ILE 106 Ca 0.30 0.91 0.12 0.00 -1.10 0.00 0.00 60.65 60.88 1d9k s ILE 106 Cb -0.13 -3.64 0.36 0.00 -1.06 0.00 0.00 42.46 37.98 1d9k s ILE 106 CO 0.18 -0.30 0.78 0.00 -0.10 0.00 0.00 174.94 175.49 1d9k n PHE 108 N 0.25 1.91 -3.76 0.00 7.35 -1.14 -3.46 117.46 118.63 1d9k n PHE 108 Ca 0.22 0.04 -0.37 0.00 -0.76 0.00 0.00 57.45 56.58 1d9k n PHE 108 Cb 0.68 -2.65 -0.12 0.00 0.35 0.00 0.00 39.48 37.74 1d9k n PHE 108 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1d9k s VAL 109 N 7.06 3.56 0.44 -2.13 1.01 -0.75 -0.62 120.40 128.98 1d9k s VAL 109 Ca 1.02 -1.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1d9k s VAL 109 Cb -0.60 -3.19 0.10 0.00 0.00 0.00 0.00 36.38 32.69 1d9k s VAL 109 CO 0.44 -0.40 0.60 -0.67 0.00 0.00 0.00 175.10 175.07 1d9k n ASP 110 N 4.73 0.31 -4.20 3.32 -0.08 -1.20 -2.14 116.55 117.29 1d9k n ASP 110 Ca -0.09 -1.38 -0.35 0.00 -1.51 0.00 0.00 54.79 51.46 1d9k n ASP 110 Cb 0.43 -0.44 -0.05 0.00 2.34 0.00 0.00 41.12 43.40 1d9k n ASP 110 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1d9k n ASN 111 N -3.24 -0.80 -4.87 1.67 5.15 -1.22 -2.75 115.26 109.21 1d9k n ASN 111 Ca 0.08 -1.26 -0.37 0.00 -0.60 0.00 0.00 54.58 52.44 1d9k n ASN 111 Cb 0.29 -1.78 -0.06 0.00 -0.53 0.00 0.00 39.78 37.70 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 -4.08 5.31 0.00 -1.44 1.01 0.34 -3.28 121.20 119.06 1d9k s ILE 112 Ca 0.16 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.21 1d9k s ILE 112 Cb -0.08 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1d9k s ILE 112 CO 0.98 0.55 0.00 0.33 0.00 0.00 0.00 174.94 176.80 1d9k n PHE 113 N 1.73 0.00 -2.15 3.97 7.35 -1.26 -1.36 117.46 125.74 1d9k n PHE 113 Ca -0.16 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.19 1d9k n PHE 113 Cb 0.54 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.38 1d9k n PHE 113 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1d9k s PRO 114 N 0.00 3.26 -0.63 -7.13 0.04 -1.26 -1.82 135.00 127.47 1d9k s PRO 114 Ca 0.00 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.40 1d9k s PRO 114 Cb 0.00 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.40 1d9k s PRO 114 CO 0.00 -0.90 1.68 -0.35 0.04 0.00 0.00 177.00 177.47 1d9k n PRO 115 N -1.58 0.07 -3.64 0.56 -0.04 -1.26 -4.79 135.00 124.32 1d9k n PRO 115 Ca 0.11 -0.90 -0.08 0.00 -0.04 0.00 0.00 63.50 62.59 1d9k n PRO 115 Cb 0.51 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.28 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 9.57 0.00 0.12 0.52 1.01 -1.26 -5.07 120.40 125.30 1d9k s VAL 116 Ca 0.51 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.25 1d9k s VAL 116 Cb -0.06 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.38 1d9k s VAL 116 CO 0.12 0.00 0.60 -0.51 0.00 0.00 0.00 175.10 175.31 1d9k s ILE 117 N 1.37 0.01 -0.30 2.22 1.10 -1.26 -4.80 121.20 119.53 1d9k s ILE 117 Ca -0.08 -0.05 0.10 0.00 -0.51 0.00 0.00 60.65 60.11 1d9k s ILE 117 Cb -0.05 -1.01 0.46 0.00 0.15 0.00 0.00 42.46 42.02 1d9k s ILE 117 CO -0.16 -0.03 1.16 0.59 -2.11 0.00 0.00 174.94 174.40 1d9k n ASN 118 N -0.12 4.25 -4.62 4.50 4.13 -0.49 -4.98 115.26 117.94 1d9k n ASN 118 Ca -0.17 -3.43 -0.43 0.00 1.68 0.00 0.00 54.58 52.23 1d9k n ASN 118 Cb 0.63 -0.38 -0.03 0.00 -1.54 0.00 0.00 39.78 38.46 1d9k n ASN 118 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1d9k s ILE 119 N -4.53 3.14 0.28 2.41 1.01 -1.26 -3.50 121.20 118.74 1d9k s ILE 119 Ca 0.46 0.15 0.07 0.00 0.00 0.00 0.00 60.65 61.33 1d9k s ILE 119 Cb 0.40 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 1d9k s ILE 119 CO 0.00 -0.08 -0.06 0.28 0.00 0.00 0.00 174.94 175.09 1d9k s THR 120 N 6.76 1.65 -0.02 2.92 -1.32 0.12 -4.93 115.64 120.82 1d9k s THR 120 Ca 0.92 -2.13 -0.00 0.00 -1.21 0.00 0.00 61.69 59.27 1d9k s THR 120 Cb -0.34 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.16 1d9k s THR 120 CO 0.36 -0.30 0.04 0.26 -2.21 0.00 0.00 174.62 172.78 1d9k s TRP 121 N -3.01 3.20 -0.30 9.09 0.52 -1.26 0.18 118.94 127.36 1d9k s TRP 121 Ca 0.30 0.17 -0.01 0.00 0.02 0.00 0.00 56.10 56.57 1d9k s TRP 121 Cb 0.04 -1.72 0.10 0.00 -1.15 0.00 0.00 33.47 30.73 1d9k s TRP 121 CO 0.12 0.52 0.09 -0.51 0.02 0.00 0.00 176.95 177.19 1d9k s LEU 122 N -1.56 2.12 -0.76 2.99 1.43 0.11 -0.76 118.68 122.26 1d9k s LEU 122 Ca 0.20 -1.56 -0.26 0.00 -1.03 0.00 0.00 54.13 51.49 1d9k s LEU 122 Cb -0.12 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1d9k s LEU 122 CO 0.11 -0.40 1.85 -0.60 0.23 0.00 0.00 176.35 177.53 1d9k s ARG 123 N 1.64 2.67 -0.75 1.70 3.52 0.70 -0.72 118.95 127.70 1d9k s ARG 123 Ca 0.09 0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.76 1d9k s ARG 123 Cb -0.17 -4.70 -0.04 0.00 -1.56 0.00 0.00 34.95 28.47 1d9k s ARG 123 CO -0.24 -2.95 0.66 0.09 -0.81 0.00 0.00 175.30 172.05 1d9k n ASN 124 N 12.92 -5.59 -3.77 -2.12 3.02 -0.56 -3.66 115.26 115.52 1d9k n ASN 124 Ca 0.28 -0.46 -0.34 0.00 -0.03 0.00 0.00 54.58 54.03 1d9k n ASN 124 Cb 0.50 -4.04 0.03 0.00 -0.61 0.00 0.00 39.78 35.66 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 -2.62 -5.10 -3.47 6.41 7.64 -1.20 -4.97 113.62 110.30 1d9k n SER 125 Ca -0.04 -1.04 0.01 0.00 1.01 0.00 0.00 58.87 58.80 1d9k n SER 125 Cb 0.58 -2.85 -0.04 0.00 -1.01 0.00 0.00 64.21 60.89 1d9k n SER 125 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1d9k s LYS 126 N -6.13 0.37 0.16 1.43 2.36 -1.24 -5.09 119.74 111.60 1d9k s LYS 126 Ca 0.41 0.94 -0.33 0.00 -2.55 0.00 0.00 55.97 54.44 1d9k s LYS 126 Cb -0.17 0.56 -0.16 0.00 -1.05 0.00 0.00 37.83 37.01 1d9k s LYS 126 CO 0.89 -0.13 1.05 0.45 1.55 0.00 0.00 175.35 179.16 1d9k n SER 127 N 5.12 0.79 -4.25 1.43 2.88 -1.26 -0.22 113.62 118.11 1d9k n SER 127 Ca -0.10 1.14 -0.38 0.00 -1.33 0.00 0.00 58.87 58.20 1d9k n SER 127 Cb 0.51 -1.14 -0.11 0.00 -0.75 0.00 0.00 64.21 62.72 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 -0.31 3.85 -2.16 2.46 1.01 0.06 -4.72 120.40 120.59 1d9k s VAL 128 Ca 0.74 -1.38 0.18 0.00 0.00 0.00 0.00 61.98 61.52 1d9k s VAL 128 Cb -0.92 -3.32 0.42 0.00 0.00 0.00 0.00 36.38 32.57 1d9k s VAL 128 CO 0.54 -0.38 1.42 0.41 0.00 0.00 0.00 175.10 177.09 1d9k n THR 129 N 4.81 0.45 -4.37 3.92 -1.04 -1.26 -4.71 114.28 112.09 1d9k n THR 129 Ca -0.10 -0.54 -0.19 0.00 -2.04 0.00 0.00 64.05 61.19 1d9k n THR 129 Cb 0.43 0.42 -0.10 0.00 -1.82 0.00 0.00 70.33 69.26 1d9k n THR 129 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1d9k s ASP 130 N -1.26 2.23 -1.36 8.00 -1.08 -1.26 -4.90 116.67 117.03 1d9k s ASP 130 Ca 0.32 -1.19 -0.14 0.00 -0.52 0.00 0.00 52.55 51.02 1d9k s ASP 130 Cb 0.17 -0.07 0.01 0.00 -1.46 0.00 0.00 42.92 41.58 1d9k s ASP 130 CO 0.24 -0.43 0.41 0.61 0.52 0.00 0.00 175.17 176.52 1d9k n GLY 131 N -0.48 -0.48 3.50 2.66 0.00 -1.26 -4.88 105.19 104.25 1d9k n GLY 131 Ca -0.06 0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.91 1.87 -0.15 1.61 1.01 -1.26 -2.20 120.40 117.37 1d9k s VAL 132 Ca 0.22 -2.13 -0.29 0.00 0.00 0.00 0.00 61.98 59.78 1d9k s VAL 132 Cb -0.11 -2.62 0.10 0.00 0.00 0.00 0.00 36.38 33.75 1d9k s VAL 132 CO 0.95 -0.20 0.83 -0.47 0.00 0.00 0.00 175.10 176.21 1d9k s TYR 133 N -2.85 -0.56 0.37 5.22 5.04 -0.34 -4.99 117.35 119.24 1d9k s TYR 133 Ca 0.32 1.08 0.03 0.00 -2.44 0.00 0.00 57.07 56.06 1d9k s TYR 133 Cb 0.04 0.40 -0.01 0.00 0.35 0.00 0.00 41.96 42.74 1d9k s TYR 133 CO 0.15 -0.44 0.09 -1.91 -1.34 0.00 0.00 175.55 172.10 1d9k n GLU 134 N 1.27 0.72 -4.47 4.97 2.13 -1.26 0.50 120.64 124.50 1d9k n GLU 134 Ca -0.15 -2.97 -0.23 0.00 0.66 0.00 0.00 57.16 54.47 1d9k n GLU 134 Cb 0.57 1.39 -0.09 0.00 0.27 0.00 0.00 31.44 33.58 1d9k n GLU 134 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1d9k s THR 135 N -2.77 0.84 0.18 6.31 -4.23 -1.17 -4.94 115.64 109.86 1d9k s THR 135 Ca 0.13 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.68 1d9k s THR 135 Cb 0.01 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1d9k s THR 135 CO 0.09 0.00 0.26 -0.44 -0.54 0.00 0.00 174.62 174.00 1d9k s SER 136 N -3.53 6.09 -0.60 3.99 0.01 -1.26 -4.76 113.70 113.64 1d9k s SER 136 Ca 0.30 0.04 -0.26 0.00 1.31 0.00 0.00 55.95 57.34 1d9k s SER 136 Cb 0.06 -1.75 -0.10 0.00 0.21 0.00 0.00 66.02 64.43 1d9k s SER 136 CO 0.15 0.02 2.45 0.49 0.41 0.00 0.00 173.24 176.75 1d9k n PHE 137 N -0.79 1.27 -1.99 2.43 0.99 -1.26 -4.74 117.46 113.37 1d9k n PHE 137 Ca -0.08 0.13 -0.33 0.00 -0.00 0.00 0.00 57.45 57.17 1d9k n PHE 137 Cb 0.55 -2.57 0.02 0.00 -1.00 0.00 0.00 39.48 36.49 1d9k n PHE 137 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 1d9k s PHE 138 N 11.97 2.74 1.03 1.38 0.40 -0.44 -4.75 117.98 130.30 1d9k s PHE 138 Ca 1.03 1.54 -0.17 0.00 -0.60 0.00 0.00 56.93 58.73 1d9k s PHE 138 Cb -0.31 -3.15 0.23 0.00 0.51 0.00 0.00 43.02 40.30 1d9k s PHE 138 CO 0.27 -1.48 1.31 0.14 0.70 0.00 0.00 175.22 176.16 1d9k s VAL 139 N -2.21 1.92 0.04 -0.44 -7.23 -1.26 -1.91 120.40 109.32 1d9k s VAL 139 Ca 0.68 0.00 -0.05 0.00 -1.81 0.00 0.00 61.98 60.80 1d9k s VAL 139 Cb -0.20 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 1d9k s VAL 139 CO 0.36 0.00 0.08 0.20 -0.31 0.00 0.00 175.10 175.43 1d9k s ASN 140 N -4.77 0.20 0.53 4.85 0.01 -0.56 -4.67 114.94 110.53 1d9k s ASN 140 Ca 0.75 -0.57 0.36 0.00 -0.71 0.00 0.00 52.86 52.69 1d9k s ASN 140 Cb -0.04 0.22 1.87 0.00 0.41 0.00 0.00 41.25 43.71 1d9k s ASN 140 CO 0.54 -0.51 2.09 0.03 -1.51 0.00 0.00 177.10 177.74 1d9k h ARG 141 N 3.65 0.00 0.00 -0.60 3.08 -1.99 0.60 114.38 119.12 1d9k h ARG 141 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1d9k h ARG 141 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1d9k h ARG 141 CO 0.51 0.00 -0.53 -0.40 -1.07 0.00 0.00 179.97 178.48 1d9k n ASP 142 N -2.80 0.53 0.00 7.04 5.68 -1.26 -4.94 116.55 120.79 1d9k n ASP 142 Ca -0.02 -0.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.99 1d9k n ASP 142 Cb 0.10 0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 -1.51 0.00 -3.71 2.11 4.01 0.20 -5.08 117.16 113.18 1d9k n TYR 143 Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.75 1d9k n TYR 143 Cb 0.34 -0.65 -0.00 0.00 -0.31 0.00 0.00 39.34 38.72 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 1.32 1.53 -4.30 7.72 3.41 -1.26 -4.88 113.62 117.16 1d9k n SER 144 Ca 0.00 -1.30 -0.18 0.00 -0.26 0.00 0.00 58.87 57.13 1d9k n SER 144 Cb 0.32 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.65 1.64 -0.06 7.33 0.40 -0.46 -1.50 117.98 124.68 1d9k s PHE 145 Ca 0.03 -1.17 -0.20 0.00 -0.60 0.00 0.00 56.93 54.99 1d9k s PHE 145 Cb -0.00 -0.98 0.04 0.00 0.51 0.00 0.00 43.02 42.59 1d9k s PHE 145 CO 0.02 -0.29 0.46 -3.38 0.70 0.00 0.00 175.22 172.73 1d9k s HIS 146 N -3.62 -0.40 0.00 0.36 -3.43 -0.80 -0.51 115.29 106.89 1d9k s HIS 146 Ca 0.37 0.74 0.00 0.00 -0.80 0.00 0.00 55.06 55.36 1d9k s HIS 146 Cb 0.07 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 1d9k s HIS 146 CO 0.15 -0.44 0.00 1.63 -2.00 0.00 0.00 174.74 174.08 1d9k n LYS 147 N 1.45 0.95 -3.69 -0.38 5.02 -0.91 -1.33 118.16 119.27 1d9k n LYS 147 Ca -0.19 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.00 1d9k n LYS 147 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.47 1d9k n LYS 147 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1d9k s LEU 148 N 0.00 -0.23 -0.19 -0.35 1.02 -1.26 -1.81 118.68 115.86 1d9k s LEU 148 Ca 0.00 1.01 -0.07 0.00 0.02 0.00 0.00 54.13 55.09 1d9k s LEU 148 Cb 0.00 1.56 -0.04 0.00 0.02 0.00 0.00 46.19 47.73 1d9k s LEU 148 CO 0.00 -0.20 0.06 -0.55 0.02 0.00 0.00 176.35 175.68 1d9k s SER 149 N 1.36 5.57 -0.16 2.29 0.15 -1.22 -3.04 113.70 118.65 1d9k s SER 149 Ca -0.09 0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.56 1d9k s SER 149 Cb -0.07 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 62.25 1d9k s SER 149 CO -0.13 0.15 -0.00 -0.31 1.20 0.00 0.00 173.24 174.15 1d9k s TYR 150 N 0.49 3.10 -0.24 3.44 4.12 0.18 -1.67 117.35 126.78 1d9k s TYR 150 Ca 0.03 -0.15 -0.04 0.00 0.02 0.00 0.00 57.07 56.93 1d9k s TYR 150 Cb -0.13 -1.98 0.08 0.00 -1.52 0.00 0.00 41.96 38.41 1d9k s TYR 150 CO 0.01 0.05 0.09 -1.17 0.02 0.00 0.00 175.55 174.55 1d9k s LEU 151 N 0.29 0.88 0.66 -1.29 2.96 -0.70 -1.19 118.68 120.28 1d9k s LEU 151 Ca -0.01 -1.04 -0.17 0.00 -0.22 0.00 0.00 54.13 52.68 1d9k s LEU 151 Cb -0.13 -0.45 -0.00 0.00 0.50 0.00 0.00 46.19 46.10 1d9k s LEU 151 CO 0.02 -0.38 1.24 0.42 -1.32 0.00 0.00 176.35 176.33 1d9k s THR 152 N 1.99 2.30 -0.10 3.68 -4.23 -0.94 0.15 115.64 118.49 1d9k s THR 152 Ca 0.05 0.17 -0.33 0.00 -1.18 0.00 0.00 61.69 60.40 1d9k s THR 152 Cb -0.16 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 70.87 1d9k s THR 152 CO -0.21 -0.05 1.44 0.72 -0.54 0.00 0.00 174.62 175.98 1d9k s PHE 153 N -1.65 -0.00 -0.22 3.99 -0.71 0.28 -4.79 117.98 114.89 1d9k s PHE 153 Ca 0.78 -0.00 0.01 0.00 -1.04 0.00 0.00 56.93 56.68 1d9k s PHE 153 Cb -0.33 0.50 0.05 0.00 -1.21 0.00 0.00 43.02 42.04 1d9k s PHE 153 CO 0.40 -0.01 -0.09 0.42 -1.34 0.00 0.00 175.22 174.59 1d9k s ILE 154 N -2.02 1.66 -0.60 -4.49 1.01 -1.26 0.32 121.20 115.81 1d9k s ILE 154 Ca 0.15 -1.14 -0.26 0.00 0.00 0.00 0.00 60.65 59.40 1d9k s ILE 154 Cb 0.08 -1.80 -0.10 0.00 0.01 0.00 0.00 42.46 40.64 1d9k s ILE 154 CO -0.07 0.06 2.45 -0.81 0.00 0.00 0.00 174.94 176.57 1d9k n PRO 155 N 4.65 0.83 -4.36 2.79 -0.04 -1.26 -4.82 135.00 132.80 1d9k n PRO 155 Ca -0.14 -0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 62.88 1d9k n PRO 155 Cb 0.45 -3.21 -0.10 0.00 -0.04 0.00 0.00 33.50 30.61 1d9k n PRO 155 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1d9k s SER 156 N 11.44 4.68 0.26 3.54 0.15 -1.26 -3.55 113.70 128.96 1d9k s SER 156 Ca 1.03 -0.18 0.14 0.00 0.70 0.00 0.00 55.95 57.64 1d9k s SER 156 Cb -0.31 -1.07 0.78 0.00 -1.71 0.00 0.00 66.02 63.71 1d9k s SER 156 CO 0.27 0.25 1.39 -0.67 1.20 0.00 0.00 173.24 175.68 1d9k n ASP 157 N 1.24 0.37 -1.69 5.45 -0.08 -1.26 -1.05 116.55 119.53 1d9k n ASP 157 Ca -0.14 0.62 -0.15 0.00 -1.51 0.00 0.00 54.79 53.61 1d9k n ASP 157 Cb 0.52 -0.64 0.18 0.00 2.34 0.00 0.00 41.12 43.52 1d9k n ASP 157 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1d9k n ASP 158 N -2.02 3.43 -3.91 1.67 9.92 -1.26 -4.95 116.55 119.43 1d9k n ASP 158 Ca -0.01 -3.73 -0.23 0.00 -0.53 0.00 0.00 54.79 50.30 1d9k n ASP 158 Cb 0.14 -0.73 -0.17 0.00 -0.64 0.00 0.00 41.12 39.73 1d9k n ASP 158 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1d9k s ASP 159 N -2.08 1.45 -0.35 -2.24 1.01 -0.22 -5.00 116.67 109.25 1d9k s ASP 159 Ca 0.51 -0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.57 1d9k s ASP 159 Cb 0.44 -0.60 0.12 0.00 1.01 0.00 0.00 42.92 43.89 1d9k s ASP 159 CO 0.04 -0.07 0.18 0.27 0.21 0.00 0.00 175.17 175.80 1d9k s ILE 160 N 1.16 0.44 0.68 0.77 -5.25 -1.26 -4.01 121.20 113.73 1d9k s ILE 160 Ca -0.07 -1.61 -0.11 0.00 -0.99 0.00 0.00 60.65 57.88 1d9k s ILE 160 Cb -0.14 -1.33 0.01 0.00 2.95 0.00 0.00 42.46 43.94 1d9k s ILE 160 CO -0.01 -0.87 1.06 -0.31 -1.79 0.00 0.00 174.94 173.02 1d9k s TYR 161 N 1.25 3.34 -0.04 1.37 1.51 -0.82 -1.49 117.35 122.47 1d9k s TYR 161 Ca 0.15 1.00 -0.03 0.00 -1.01 0.00 0.00 57.07 57.18 1d9k s TYR 161 Cb -0.21 -3.00 0.02 0.00 -0.11 0.00 0.00 41.96 38.66 1d9k s TYR 161 CO -0.12 -1.09 0.10 -0.51 -1.11 0.00 0.00 175.55 172.82 1d9k s ASP 162 N -4.34 -0.08 -0.50 2.29 1.01 0.10 -1.69 116.67 113.45 1d9k s ASP 162 Ca 0.57 0.20 -0.13 0.00 0.71 0.00 0.00 52.55 53.90 1d9k s ASP 162 Cb -0.11 0.16 0.12 0.00 1.01 0.00 0.00 42.92 44.10 1d9k s ASP 162 CO 0.51 -0.07 0.42 0.00 0.21 0.00 0.00 175.17 176.24 1d9k s LYS 164 N 1.51 4.15 -0.33 0.00 2.20 0.47 -3.23 119.74 124.51 1d9k s LYS 164 Ca 0.04 1.63 -0.01 0.00 -0.36 0.00 0.00 55.97 57.27 1d9k s LYS 164 Cb -0.28 -2.62 0.13 0.00 -1.51 0.00 0.00 37.83 33.55 1d9k s LYS 164 CO 0.02 -0.18 0.19 0.08 -0.36 0.00 0.00 175.35 175.10 1d9k s VAL 165 N -1.55 0.01 -0.20 4.02 1.01 -1.18 0.15 120.40 122.66 1d9k s VAL 165 Ca 0.57 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 1d9k s VAL 165 Cb -0.25 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1d9k s VAL 165 CO 0.32 -0.85 0.69 -1.61 0.00 0.00 0.00 175.10 173.65 1d9k s GLU 166 N 1.52 4.21 0.23 2.72 2.02 -1.23 -3.59 118.70 124.59 1d9k s GLU 166 Ca 0.14 0.72 -0.04 0.00 0.02 0.00 0.00 54.97 55.81 1d9k s GLU 166 Cb -0.20 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.41 1d9k s GLU 166 CO -0.14 -0.31 0.26 -1.58 0.02 0.00 0.00 175.26 173.50 1d9k s HIS 167 N 2.15 0.95 -0.56 1.61 2.46 -1.26 -1.39 115.29 119.24 1d9k s HIS 167 Ca 0.31 -1.19 0.23 0.00 0.47 0.00 0.00 55.06 54.88 1d9k s HIS 167 Cb -0.16 -0.32 0.13 0.00 -0.13 0.00 0.00 32.58 32.11 1d9k s HIS 167 CO 0.10 -0.78 1.11 0.91 -2.47 0.00 0.00 174.74 173.61 1d9k n TRP 168 N -0.34 0.44 1.90 3.88 8.01 -1.26 -3.39 117.44 126.68 1d9k n TRP 168 Ca 0.01 0.13 0.14 0.00 -1.31 0.00 0.00 57.50 56.47 1d9k n TRP 168 Cb 0.64 -0.58 0.76 0.00 -2.01 0.00 0.00 31.31 30.12 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 1.33 -0.81 3.36 6.99 0.00 -1.26 -4.75 105.19 110.05 1d9k n GLY 169 Ca 0.02 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.86 2.25 0.15 0.99 1.43 -1.22 -3.92 118.68 116.51 1d9k s LEU 170 Ca 0.40 -0.50 0.23 0.00 -1.03 0.00 0.00 54.13 53.23 1d9k s LEU 170 Cb 0.19 -1.36 0.15 0.00 0.03 0.00 0.00 46.19 45.20 1d9k s LEU 170 CO 0.32 0.28 1.16 -0.33 0.23 0.00 0.00 176.35 178.00 1d9k h GLU 171 N 4.98 0.00 -2.19 1.70 5.08 -1.85 -3.45 114.58 118.84 1d9k h GLU 171 Ca -0.46 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1d9k h GLU 171 Cb 1.14 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.17 1d9k h GLU 171 CO 0.46 0.00 0.04 -1.21 -1.00 0.00 0.00 179.01 177.30 1d9k s GLU 172 N -3.26 0.78 0.50 2.33 8.01 -1.26 -5.15 118.70 120.64 1d9k s GLU 172 Ca 0.03 0.79 -0.20 0.00 0.01 0.00 0.00 54.97 55.60 1d9k s GLU 172 Cb 0.12 0.38 -0.11 0.00 -4.31 0.00 0.00 34.13 30.21 1d9k s GLU 172 CO 0.76 -0.12 0.52 -2.30 0.01 0.00 0.00 175.26 174.13 1d9k n PRO 173 N 2.49 0.55 -4.19 0.39 -0.02 -1.26 -4.97 135.00 127.99 1d9k n PRO 173 Ca -0.15 0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 61.20 1d9k n PRO 173 Cb 0.56 -1.60 -0.12 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.62 3.93 -0.39 -1.45 1.01 -1.24 -4.95 120.40 115.70 1d9k s VAL 174 Ca 0.65 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 1d9k s VAL 174 Cb -0.52 -2.76 0.08 0.00 0.00 0.00 0.00 36.38 33.18 1d9k s VAL 174 CO 0.57 0.45 0.20 -0.76 0.00 0.00 0.00 175.10 175.56 1d9k s LEU 175 N 0.75 4.94 0.25 3.92 1.02 -1.26 -3.09 118.68 125.22 1d9k s LEU 175 Ca -0.00 -1.56 -0.28 0.00 0.02 0.00 0.00 54.13 52.31 1d9k s LEU 175 Cb -0.14 -1.91 -0.09 0.00 0.02 0.00 0.00 46.19 44.07 1d9k s LEU 175 CO 0.02 -0.49 0.91 -0.54 0.02 0.00 0.00 176.35 176.27 1d9k s LYS 176 N 1.34 4.71 0.12 1.70 -0.14 -1.20 -4.87 119.74 121.40 1d9k s LYS 176 Ca 0.03 1.37 0.07 0.00 -1.36 0.00 0.00 55.97 56.08 1d9k s LYS 176 Cb -0.22 -3.13 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 1d9k s LYS 176 CO 0.00 0.46 -0.10 -1.58 -0.76 0.00 0.00 175.35 173.37 1d9k s HIS 177 N -1.31 2.72 -0.23 3.18 2.46 -1.26 -1.37 115.29 119.48 1d9k s HIS 177 Ca 0.43 -0.17 -0.09 0.00 0.47 0.00 0.00 55.06 55.69 1d9k s HIS 177 Cb -0.23 -1.41 0.09 0.00 -0.13 0.00 0.00 32.58 30.90 1d9k s HIS 177 CO 0.28 0.44 0.51 -0.46 -2.47 0.00 0.00 174.74 173.04 1d9k s TRP 178 N -1.30 -0.92 0.19 3.88 -0.00 -0.68 -4.97 118.94 115.15 1d9k s TRP 178 Ca 0.22 1.74 0.06 0.00 -0.00 0.00 0.00 56.10 58.12 1d9k s TRP 178 Cb -0.11 0.46 -0.04 0.00 -0.00 0.00 0.00 33.47 33.78 1d9k s TRP 178 CO 0.14 -0.50 0.10 -1.83 -0.00 0.00 0.00 176.95 174.86 1d9k s GLU 179 N 2.28 2.71 0.00 5.86 1.03 -1.26 -1.94 118.70 127.38 1d9k s GLU 179 Ca -0.06 -1.02 0.00 0.00 0.03 0.00 0.00 54.97 53.92 1d9k s GLU 179 Cb -0.10 -2.51 0.00 0.00 -0.80 0.00 0.00 34.13 30.72 1d9k s GLU 179 CO -0.15 0.45 0.00 -2.30 -1.33 0.00 0.00 175.26 171.93 1d9k n PRO 180 N -0.49 0.00 0.00 -4.83 -0.02 -1.26 -4.94 135.00 123.46 1d9k n PRO 180 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1d9k n PRO 180 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 1d9k n PRO 180 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1d9k n GLU 181 N 0.00 0.00 0.00 -0.52 4.07 -1.26 -5.11 120.64 117.82 1d9k n GLU 181 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 1d9k n GLU 181 Cb 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.46 1d9k n GLU 181 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18