#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d9k s VAL 3 N 0.00 2.00 -0.02 1.69 1.01 -1.26 -3.69 120.40 120.13 1d9k s VAL 3 Ca 0.00 -1.45 0.02 0.00 0.00 0.00 0.00 61.98 60.55 1d9k s VAL 3 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1d9k s VAL 3 CO 0.00 0.21 -0.08 -0.13 0.00 0.00 0.00 175.10 175.10 1d9k s ARG 4 N -1.50 0.88 -0.16 2.72 0.52 -0.24 -4.44 118.95 116.74 1d9k s ARG 4 Ca 0.11 -0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 1d9k s ARG 4 Cb -0.10 -0.83 0.02 0.00 0.52 0.00 0.00 34.95 34.56 1d9k s ARG 4 CO 0.03 0.10 -0.15 -0.65 0.02 0.00 0.00 175.30 174.65 1d9k s GLN 5 N 0.20 2.40 -0.04 3.54 -0.21 -1.26 -0.91 119.66 123.38 1d9k s GLN 5 Ca -0.03 -0.62 -0.20 0.00 0.02 0.00 0.00 55.36 54.54 1d9k s GLN 5 Cb -0.08 -2.20 -0.14 0.00 1.00 0.00 0.00 33.01 31.60 1d9k s GLN 5 CO 0.00 -0.24 0.85 0.66 -2.12 0.00 0.00 175.29 174.44 1d9k h SER 6 N 8.03 -0.28 0.00 5.90 4.64 -1.96 -3.40 113.55 126.48 1d9k h SER 6 Ca -0.39 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1d9k h SER 6 Cb 1.13 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1d9k h SER 6 CO 0.55 0.22 0.00 -0.81 -0.87 0.00 0.00 176.83 175.92 1d9k n PRO 7 N -5.00 0.00 -2.52 4.77 -0.04 -1.26 -4.94 135.00 126.01 1d9k n PRO 7 Ca -0.08 0.64 -0.02 0.00 -0.04 0.00 0.00 63.50 64.00 1d9k n PRO 7 Cb 0.25 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1d9k n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d9k n GLN 8 N -1.63 -3.75 -1.52 0.54 -0.00 -1.26 -4.84 117.38 104.92 1d9k n GLN 8 Ca 0.00 2.81 0.00 0.00 -0.00 0.00 0.00 57.00 59.81 1d9k n GLN 8 Cb 0.00 -3.75 0.00 0.00 -0.00 0.00 0.00 30.24 26.49 1d9k n GLN 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1d9k n SER 9 N 1.93 -6.32 -3.62 2.61 7.64 -1.12 -4.79 113.62 109.96 1d9k n SER 9 Ca -0.17 0.89 -0.10 0.00 1.01 0.00 0.00 58.87 60.50 1d9k n SER 9 Cb 0.26 -3.51 -0.06 0.00 -1.01 0.00 0.00 64.21 59.89 1d9k n SER 9 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1d9k s LEU 10 N -0.32 -0.44 -0.01 -3.43 2.96 0.24 -4.85 118.68 112.82 1d9k s LEU 10 Ca 0.00 0.76 0.07 0.00 -0.22 0.00 0.00 54.13 54.74 1d9k s LEU 10 Cb 0.00 1.92 -0.02 0.00 0.50 0.00 0.00 46.19 48.59 1d9k s LEU 10 CO 0.00 -0.22 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.68 1d9k s THR 11 N -0.18 1.87 0.19 3.68 2.01 -1.26 -0.73 115.64 121.22 1d9k s THR 11 Ca 0.01 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 60.92 1d9k s THR 11 Cb -0.04 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1d9k s THR 11 CO -0.03 0.50 0.24 -0.69 -0.69 0.00 0.00 174.62 173.95 1d9k s VAL 12 N -0.58 0.03 0.08 3.82 1.01 -0.88 -4.97 120.40 118.91 1d9k s VAL 12 Ca 0.09 -1.69 -0.01 0.00 0.00 0.00 0.00 61.98 60.37 1d9k s VAL 12 Cb -0.09 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1d9k s VAL 12 CO -0.01 -0.15 0.24 0.26 0.00 0.00 0.00 175.10 175.45 1d9k s TRP 13 N -4.06 3.51 -0.08 5.22 0.51 -1.26 -0.84 118.94 121.94 1d9k s TRP 13 Ca 0.27 0.32 -0.41 0.00 -2.12 0.00 0.00 56.10 54.16 1d9k s TRP 13 Cb 0.04 -1.81 -0.20 0.00 -0.81 0.00 0.00 33.47 30.69 1d9k s TRP 13 CO 0.07 0.56 1.16 0.39 -0.51 0.00 0.00 176.95 178.62 1d9k n GLU 14 N 0.26 0.01 0.00 4.98 1.02 -1.25 -1.89 120.64 123.77 1d9k n GLU 14 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1d9k n GLU 14 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1d9k n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d9k n GLY 15 N 1.93 2.66 0.15 0.62 0.00 0.19 -4.88 105.19 105.85 1d9k n GLY 15 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1d9k n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1d9k n GLU 16 N -0.30 0.00 -2.97 1.61 1.02 -0.79 -2.34 120.64 116.86 1d9k n GLU 16 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1d9k n GLU 16 Cb 0.00 -0.89 -0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1d9k n GLU 16 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1d9k n THR 17 N -0.06 -6.56 -2.15 2.62 -1.04 -1.24 -4.92 114.28 100.94 1d9k n THR 17 Ca 0.00 1.12 -0.34 0.00 -2.04 0.00 0.00 64.05 62.79 1d9k n THR 17 Cb 0.00 -4.76 0.01 0.00 -1.82 0.00 0.00 70.33 63.76 1d9k n THR 17 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1d9k s THR 18 N -1.24 3.28 -0.21 12.58 2.01 0.20 -4.83 115.64 127.43 1d9k s THR 18 Ca -0.01 0.73 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 1d9k s THR 18 Cb 0.00 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.31 1d9k s THR 18 CO 0.36 -0.24 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.42 1d9k s ILE 19 N -1.98 0.97 -0.25 1.82 1.01 -1.26 -2.18 121.20 119.33 1d9k s ILE 19 Ca 0.70 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 1d9k s ILE 19 Cb -0.22 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 40.90 1d9k s ILE 19 CO 0.30 -0.16 -0.03 -0.76 0.00 0.00 0.00 174.94 174.29 1d9k s LEU 20 N 1.65 3.29 0.11 2.97 1.43 -0.28 -4.89 118.68 122.95 1d9k s LEU 20 Ca -0.03 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.22 1d9k s LEU 20 Cb -0.18 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1d9k s LEU 20 CO -0.07 -0.13 0.40 0.20 0.23 0.00 0.00 176.35 176.98 1d9k s ASN 21 N 1.38 6.58 -0.01 2.29 0.01 -1.26 0.40 114.94 124.32 1d9k s ASN 21 Ca 0.01 0.72 -0.04 0.00 -0.71 0.00 0.00 52.86 52.84 1d9k s ASN 21 Cb -0.16 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.35 1d9k s ASN 21 CO -0.03 0.11 0.09 0.00 -1.51 0.00 0.00 177.10 175.77 1d9k s SER 23 N -0.73 -0.00 0.31 0.00 1.04 -0.09 0.13 113.70 114.36 1d9k s SER 23 Ca -0.08 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 55.86 1d9k s SER 23 Cb -0.05 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1d9k s SER 23 CO 0.00 -0.73 0.40 0.00 0.98 0.00 0.00 173.24 173.90 1d9k n TYR 24 N 0.05 -1.22 -3.15 5.02 0.18 -0.70 -1.07 117.16 116.26 1d9k n TYR 24 Ca -0.16 -2.16 -0.10 0.00 1.88 0.00 0.00 57.90 57.36 1d9k n TYR 24 Cb 0.62 0.45 -0.04 0.00 -0.38 0.00 0.00 39.34 39.99 1d9k n TYR 24 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1d9k s GLU 25 N -2.80 0.85 -0.30 -3.48 2.02 -1.24 -4.84 118.70 108.92 1d9k s GLU 25 Ca 0.27 -0.96 -0.22 0.00 0.02 0.00 0.00 54.97 54.08 1d9k s GLU 25 Cb -0.00 -0.42 0.19 0.00 0.10 0.00 0.00 34.13 34.00 1d9k s GLU 25 CO 0.20 -1.26 1.35 0.34 0.02 0.00 0.00 175.26 175.91 1d9k s ASP 26 N 1.17 -0.10 0.00 -0.19 2.15 -1.26 -4.36 116.67 114.08 1d9k s ASP 26 Ca 0.23 0.18 0.22 0.00 0.43 0.00 0.00 52.55 53.61 1d9k s ASP 26 Cb -0.05 0.43 -0.13 0.00 -0.30 0.00 0.00 42.92 42.87 1d9k s ASP 26 CO -0.07 -0.03 0.99 -1.20 -0.17 0.00 0.00 175.17 174.69 1d9k n SER 27 N 2.08 1.38 0.00 -0.34 7.64 -1.26 -3.95 113.62 119.17 1d9k n SER 27 Ca -0.12 -1.18 0.01 0.00 1.01 0.00 0.00 58.87 58.58 1d9k n SER 27 Cb 0.57 0.78 0.05 0.00 -1.01 0.00 0.00 64.21 64.60 1d9k n SER 27 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1d9k n THR 28 N -0.93 1.83 -3.32 0.44 -1.04 -1.26 -4.61 114.28 105.38 1d9k n THR 28 Ca 0.06 0.46 -0.33 0.00 -2.04 0.00 0.00 64.05 62.20 1d9k n THR 28 Cb 0.38 -1.42 -0.06 0.00 -1.82 0.00 0.00 70.33 67.42 1d9k n THR 28 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1d9k s PHE 29 N -3.00 3.45 0.00 -1.42 0.40 -1.25 -3.76 117.98 112.40 1d9k s PHE 29 Ca 0.01 1.01 0.00 0.00 -0.60 0.00 0.00 56.93 57.36 1d9k s PHE 29 Cb 0.02 -2.36 0.00 0.00 0.51 0.00 0.00 43.02 41.18 1d9k s PHE 29 CO 0.04 0.25 0.00 -0.40 0.70 0.00 0.00 175.22 175.82 1d9k n ASP 30 N -0.01 0.00 -4.07 1.36 5.68 -0.65 -4.93 116.55 113.93 1d9k n ASP 30 Ca 0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.03 1d9k n ASP 30 Cb 0.52 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.34 1d9k n ASP 30 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1d9k s TYR 31 N 0.00 1.64 -0.34 2.11 5.04 -0.95 -1.86 117.35 122.98 1d9k s TYR 31 Ca 0.00 -0.59 -0.00 0.00 -2.44 0.00 0.00 57.07 54.04 1d9k s TYR 31 Cb 0.00 -1.16 0.11 0.00 0.35 0.00 0.00 41.96 41.26 1d9k s TYR 31 CO 0.00 -0.27 0.14 -0.06 -1.34 0.00 0.00 175.55 174.02 1d9k s PHE 32 N 0.48 1.51 0.30 4.97 0.40 0.15 -1.36 117.98 124.43 1d9k s PHE 32 Ca -0.13 -1.78 0.04 0.00 -0.60 0.00 0.00 56.93 54.46 1d9k s PHE 32 Cb -0.15 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 1d9k s PHE 32 CO 0.04 -0.85 0.45 -1.25 0.70 0.00 0.00 175.22 174.31 1d9k s PRO 33 N 1.34 3.36 -0.06 0.24 0.04 -1.18 -0.11 135.00 138.63 1d9k s PRO 33 Ca 0.12 -0.69 0.03 0.00 0.04 0.00 0.00 61.00 60.51 1d9k s PRO 33 Cb -0.19 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.56 1d9k s PRO 33 CO -0.18 0.24 -0.15 -1.58 0.04 0.00 0.00 177.00 175.36 1d9k s TRP 34 N -2.14 1.67 -0.19 0.56 0.52 1.07 -0.79 118.94 119.63 1d9k s TRP 34 Ca 0.39 -0.58 -0.02 0.00 0.02 0.00 0.00 56.10 55.91 1d9k s TRP 34 Cb -0.09 -1.17 0.00 0.00 -1.15 0.00 0.00 33.47 31.06 1d9k s TRP 34 CO 0.32 -0.25 -0.11 0.71 0.02 0.00 0.00 176.95 177.63 1d9k s TYR 35 N 0.39 2.87 -0.15 -1.98 2.02 0.81 0.27 117.35 121.58 1d9k s TYR 35 Ca -0.11 -1.18 -0.12 0.00 -0.37 0.00 0.00 57.07 55.28 1d9k s TYR 35 Cb -0.14 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.36 1d9k s TYR 35 CO 0.04 -0.62 0.24 -0.98 -1.57 0.00 0.00 175.55 172.66 1d9k s ARG 36 N 1.29 4.09 -0.20 -0.62 1.70 -0.56 0.42 118.95 125.06 1d9k s ARG 36 Ca 0.04 0.00 0.01 0.00 -0.47 0.00 0.00 55.73 55.31 1d9k s ARG 36 Cb -0.14 -3.37 0.04 0.00 -0.57 0.00 0.00 34.95 30.91 1d9k s ARG 36 CO -0.06 0.37 -0.13 -1.14 -1.08 0.00 0.00 175.30 173.27 1d9k s GLN 37 N 0.09 2.28 0.57 3.89 0.74 -0.96 -1.91 119.66 124.36 1d9k s GLN 37 Ca 0.15 -0.93 -0.17 0.00 0.05 0.00 0.00 55.36 54.46 1d9k s GLN 37 Cb -0.13 -2.53 -0.05 0.00 1.10 0.00 0.00 33.01 31.41 1d9k s GLN 37 CO 0.03 -0.40 1.06 -0.06 -0.55 0.00 0.00 175.29 175.36 1d9k s PHE 38 N 1.32 2.98 -0.12 1.67 2.99 -1.26 -1.17 117.98 124.38 1d9k s PHE 38 Ca -0.01 1.52 -0.40 0.00 0.00 0.00 0.00 56.93 58.05 1d9k s PHE 38 Cb -0.16 -3.03 -0.17 0.00 0.00 0.00 0.00 43.02 39.66 1d9k s PHE 38 CO -0.09 -1.08 1.47 -0.35 -0.00 0.00 0.00 175.22 175.18 1d9k n PRO 39 N -1.81 0.84 -1.36 0.24 -0.04 -1.26 -1.09 135.00 130.52 1d9k n PRO 39 Ca 0.09 0.31 -0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1d9k n PRO 39 Cb 0.53 -1.93 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 1d9k n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d9k n GLY 40 N 3.13 1.29 3.58 0.55 0.00 -1.26 -4.98 105.19 107.50 1d9k n GLY 40 Ca 0.23 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1d9k n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d9k n LYS 41 N -2.06 0.67 -3.29 1.61 4.76 -0.25 -5.15 118.16 114.45 1d9k n LYS 41 Ca -0.12 -3.66 -0.29 0.00 -2.87 0.00 0.00 58.31 51.37 1d9k n LYS 41 Cb 0.48 1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 35.05 1d9k n LYS 41 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1d9k s SER 42 N -3.72 6.45 0.53 4.39 0.01 -1.26 -4.68 113.70 115.43 1d9k s SER 42 Ca 0.09 0.76 -0.16 0.00 1.31 0.00 0.00 55.95 57.96 1d9k s SER 42 Cb 0.00 -2.16 -0.07 0.00 0.21 0.00 0.00 66.02 64.00 1d9k s SER 42 CO 0.07 -0.22 1.00 -2.16 0.41 0.00 0.00 173.24 172.34 1d9k s PRO 43 N -3.58 3.86 -0.00 12.44 0.04 -1.26 -4.37 135.00 142.13 1d9k s PRO 43 Ca 0.45 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1d9k s PRO 43 Cb -0.11 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 1d9k s PRO 43 CO 0.30 -0.34 0.02 0.00 0.04 0.00 0.00 177.00 177.02 1d9k s ALA 44 N -2.69 -0.04 0.17 8.56 0.00 -0.80 -4.96 121.76 121.99 1d9k s ALA 44 Ca 0.59 -0.13 -0.34 0.00 0.00 0.00 0.00 51.96 52.07 1d9k s ALA 44 Cb -0.10 0.02 -0.14 0.00 0.00 0.00 0.00 23.12 22.90 1d9k s ALA 44 CO 0.35 -0.08 1.59 -0.11 0.00 0.00 0.00 175.76 177.50 1d9k n LEU 45 N 2.46 3.16 -0.06 0.00 7.94 -1.26 -1.50 117.00 127.74 1d9k n LEU 45 Ca -0.17 1.08 -0.12 0.00 -1.11 0.00 0.00 56.01 55.69 1d9k n LEU 45 Cb 0.58 -1.44 -0.04 0.00 0.53 0.00 0.00 43.42 43.05 1d9k n LEU 45 CO 0.23 -0.26 -0.89 -0.11 -1.11 0.00 0.00 177.39 175.25 1d9k n LEU 46 N 3.44 0.84 -3.68 -1.96 7.94 0.75 -4.83 117.00 119.50 1d9k n LEU 46 Ca 0.17 0.14 -0.15 0.00 -1.11 0.00 0.00 56.01 55.07 1d9k n LEU 46 Cb 0.29 -0.35 -0.08 0.00 0.53 0.00 0.00 43.42 43.81 1d9k n LEU 46 CO 0.63 0.22 0.18 -0.63 -1.11 0.00 0.00 177.39 176.69 1d9k s ILE 47 N -2.22 0.03 0.03 1.96 -1.09 -0.88 -4.95 121.20 114.08 1d9k s ILE 47 Ca -0.16 -0.21 -0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1d9k s ILE 47 Cb 0.06 -0.74 -0.02 0.00 -1.58 0.00 0.00 42.46 40.18 1d9k s ILE 47 CO 0.21 -0.12 0.03 0.00 -1.23 0.00 0.00 174.94 173.83 1d9k s ALA 48 N -0.87 0.06 0.07 9.38 0.00 -1.26 0.35 121.76 129.48 1d9k s ALA 48 Ca -0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 1d9k s ALA 48 Cb -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1d9k s ALA 48 CO 0.05 -0.25 0.03 0.42 0.00 0.00 0.00 175.76 176.01 1d9k s ILE 49 N -2.17 0.19 0.06 0.00 -1.09 0.85 -4.91 121.20 114.12 1d9k s ILE 49 Ca -0.09 -1.68 0.06 0.00 -2.23 0.00 0.00 60.65 56.71 1d9k s ILE 49 Cb -0.04 -1.53 -0.03 0.00 -1.58 0.00 0.00 42.46 39.28 1d9k s ILE 49 CO -0.03 -0.87 -0.17 -0.94 -1.23 0.00 0.00 174.94 171.70 1d9k s SER 50 N -2.92 1.99 0.21 3.58 1.04 -1.26 0.29 113.70 116.63 1d9k s SER 50 Ca 0.08 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 1d9k s SER 50 Cb 0.07 -0.11 0.44 0.00 0.10 0.00 0.00 66.02 66.52 1d9k s SER 50 CO -0.09 0.03 1.11 0.18 0.98 0.00 0.00 173.24 175.45 1d9k n LEU 51 N 1.54 -0.17 -0.18 2.42 4.77 -0.78 -1.74 117.00 122.87 1d9k n LEU 51 Ca -0.19 1.22 -0.05 0.00 -0.03 0.00 0.00 56.01 56.96 1d9k n LEU 51 Cb 0.54 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1d9k n LEU 51 CO 0.22 -1.20 0.45 0.52 -1.33 0.00 0.00 177.39 176.06 1d9k n VAL 52 N -5.06 -0.29 -2.56 4.08 0.31 -1.26 -4.58 118.33 108.97 1d9k n VAL 52 Ca 0.14 1.78 -0.22 0.00 -0.01 0.00 0.00 64.34 66.03 1d9k n VAL 52 Cb 0.46 -2.27 0.06 0.00 -0.91 0.00 0.00 33.84 31.17 1d9k n VAL 52 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1d9k s SER 53 N -4.13 5.02 -0.07 4.52 0.15 -0.71 -5.04 113.70 113.44 1d9k s SER 53 Ca -0.05 -0.02 0.11 0.00 0.70 0.00 0.00 55.95 56.69 1d9k s SER 53 Cb 0.05 -0.73 0.18 0.00 -1.71 0.00 0.00 66.02 63.80 1d9k s SER 53 CO 0.26 -1.35 1.09 -0.46 1.20 0.00 0.00 173.24 173.98 1d9k n ASN 54 N -2.52 1.28 -3.64 5.45 6.94 -1.26 -4.66 115.26 116.84 1d9k n ASN 54 Ca 0.09 -2.62 -0.07 0.00 -0.02 0.00 0.00 54.58 51.96 1d9k n ASN 54 Cb 0.60 -0.33 -0.07 0.00 -2.36 0.00 0.00 39.78 37.62 1d9k n ASN 54 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1d9k s LYS 55 N -1.57 0.43 -0.09 -3.83 2.20 -1.26 -2.17 119.74 113.45 1d9k s LYS 55 Ca 0.19 0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 56.30 1d9k s LYS 55 Cb 0.17 0.19 0.05 0.00 -1.51 0.00 0.00 37.83 36.73 1d9k s LYS 55 CO 0.01 -0.06 0.17 0.21 -0.36 0.00 0.00 175.35 175.33 1d9k s LYS 56 N 0.37 0.08 0.08 4.03 2.20 -1.13 -4.99 119.74 120.38 1d9k s LYS 56 Ca 0.02 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 1d9k s LYS 56 Cb -0.05 -0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 1d9k s LYS 56 CO -0.09 -0.25 0.13 -1.21 -0.36 0.00 0.00 175.35 173.58 1d9k s GLU 57 N 1.85 3.09 -0.30 4.03 2.02 -1.26 -2.41 118.70 125.72 1d9k s GLU 57 Ca -0.02 -0.62 -0.17 0.00 0.02 0.00 0.00 54.97 54.18 1d9k s GLU 57 Cb -0.12 -2.83 0.18 0.00 0.10 0.00 0.00 34.13 31.46 1d9k s GLU 57 CO -0.06 0.57 1.11 0.34 0.02 0.00 0.00 175.26 177.24 1d9k s ASP 58 N -2.52 -0.36 0.70 -0.19 -1.08 -0.72 -5.01 116.67 107.49 1d9k s ASP 58 Ca 0.31 0.51 0.00 0.00 -0.52 0.00 0.00 52.55 52.85 1d9k s ASP 58 Cb -0.12 1.38 0.00 0.00 -1.46 0.00 0.00 42.92 42.72 1d9k s ASP 58 CO 0.24 -0.07 0.00 0.61 0.52 0.00 0.00 175.17 176.47 1d9k n GLY 59 N 4.62 2.21 1.10 2.66 0.00 -1.26 0.46 105.19 114.99 1d9k n GLY 59 Ca -0.09 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1d9k n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1d9k n ARG 61 N 11.49 2.56 -3.39 1.61 0.00 -1.26 -4.89 116.66 122.79 1d9k n ARG 61 Ca 0.00 -2.03 -0.35 0.00 -0.00 0.00 0.00 57.85 55.48 1d9k n ARG 61 Cb 0.00 -1.54 -0.06 0.00 -0.00 0.00 0.00 32.46 30.86 1d9k n ARG 61 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1d9k s PHE 62 N -1.46 3.57 -0.28 2.89 0.40 0.17 -0.66 117.98 122.60 1d9k s PHE 62 Ca 0.37 1.00 -0.17 0.00 -0.60 0.00 0.00 56.93 57.53 1d9k s PHE 62 Cb 0.21 -2.33 0.09 0.00 0.51 0.00 0.00 43.02 41.50 1d9k s PHE 62 CO 0.22 0.40 0.74 0.99 0.70 0.00 0.00 175.22 178.28 1d9k s THR 63 N -1.53 0.00 -0.14 0.64 2.01 -0.52 -1.75 115.64 114.34 1d9k s THR 63 Ca 0.39 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.32 1d9k s THR 63 Cb -0.14 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1d9k s THR 63 CO 0.19 0.00 0.13 -0.63 -0.69 0.00 0.00 174.62 173.63 1d9k s ILE 64 N 1.40 5.43 -0.26 1.82 1.01 -1.01 0.18 121.20 129.76 1d9k s ILE 64 Ca -0.08 0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1d9k s ILE 64 Cb -0.05 -3.40 0.06 0.00 0.01 0.00 0.00 42.46 39.08 1d9k s ILE 64 CO -0.16 0.56 -0.10 -0.36 0.00 0.00 0.00 174.94 174.88 1d9k s PHE 65 N -0.57 3.23 -0.22 3.97 0.40 0.12 -2.85 117.98 122.06 1d9k s PHE 65 Ca 0.13 -2.32 -0.05 0.00 -0.60 0.00 0.00 56.93 54.09 1d9k s PHE 65 Cb -0.12 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 1d9k s PHE 65 CO 0.02 -0.88 -0.01 0.12 0.70 0.00 0.00 175.22 175.18 1d9k s PHE 66 N 1.11 3.00 -0.36 0.36 5.36 -0.92 -0.75 117.98 125.79 1d9k s PHE 66 Ca -0.08 -0.69 -0.04 0.00 -0.96 0.00 0.00 56.93 55.16 1d9k s PHE 66 Cb -0.20 -2.12 0.07 0.00 -0.34 0.00 0.00 43.02 40.43 1d9k s PHE 66 CO -0.05 -0.42 0.12 1.21 -1.46 0.00 0.00 175.22 174.62 1d9k s ASN 67 N 1.36 5.20 0.00 6.13 3.04 -0.72 -4.46 114.94 125.48 1d9k s ASN 67 Ca 0.04 -1.52 0.00 0.00 0.04 0.00 0.00 52.86 51.42 1d9k s ASN 67 Cb -0.15 -1.82 0.00 0.00 -1.54 0.00 0.00 41.25 37.75 1d9k s ASN 67 CO -0.00 -0.40 0.00 1.17 -3.04 0.00 0.00 177.10 174.82 1d9k n LYS 68 N 4.69 0.00 -2.13 0.43 4.81 -1.26 -2.65 118.16 122.05 1d9k n LYS 68 Ca -0.09 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.05 1d9k n LYS 68 Cb 0.43 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.43 1d9k n LYS 68 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1d9k s ARG 69 N 0.00 2.68 0.00 1.64 0.52 -1.26 0.13 118.95 122.66 1d9k s ARG 69 Ca 0.00 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1d9k s ARG 69 Cb 0.00 -5.24 0.00 0.00 0.52 0.00 0.00 34.95 30.23 1d9k s ARG 69 CO 0.00 -3.66 0.00 0.39 0.02 0.00 0.00 175.30 172.05 1d9k n GLU 70 N 8.42 0.35 -4.11 3.54 1.02 -1.15 -4.95 120.64 123.75 1d9k n GLU 70 Ca 0.44 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 57.27 1d9k n GLU 70 Cb 0.47 -0.03 -0.03 0.00 -0.02 0.00 0.00 31.44 31.83 1d9k n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1d9k n LYS 71 N 0.00 -2.99 -5.13 3.49 5.02 0.35 -4.90 118.16 114.00 1d9k n LYS 71 Ca 0.00 0.36 -0.32 0.00 -2.02 0.00 0.00 58.31 56.33 1d9k n LYS 71 Cb 0.00 -4.69 -0.16 0.00 -0.02 0.00 0.00 35.03 30.17 1d9k n LYS 71 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1d9k s LYS 72 N -6.81 2.72 0.06 1.97 1.02 -1.23 -1.72 119.74 115.76 1d9k s LYS 72 Ca 0.33 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.49 1d9k s LYS 72 Cb -0.18 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 1d9k s LYS 72 CO 0.92 0.37 -0.05 -1.17 -0.92 0.00 0.00 175.35 174.50 1d9k s LEU 73 N -0.12 2.43 0.01 3.17 2.96 0.34 -1.76 118.68 125.70 1d9k s LEU 73 Ca -0.04 -0.86 -0.19 0.00 -0.22 0.00 0.00 54.13 52.81 1d9k s LEU 73 Cb -0.14 0.04 0.04 0.00 0.50 0.00 0.00 46.19 46.63 1d9k s LEU 73 CO 0.04 -0.45 0.43 -0.94 -1.32 0.00 0.00 176.35 174.11 1d9k s SER 74 N -2.55 -0.32 -0.09 3.68 1.04 0.08 0.28 113.70 115.81 1d9k s SER 74 Ca 0.03 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.65 1d9k s SER 74 Cb 0.02 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 1d9k s SER 74 CO -0.05 -0.59 -0.22 -0.22 0.98 0.00 0.00 173.24 173.14 1d9k s LEU 75 N -1.64 2.20 -0.18 2.42 2.96 0.16 0.13 118.68 124.73 1d9k s LEU 75 Ca -0.09 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.32 1d9k s LEU 75 Cb -0.02 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.24 1d9k s LEU 75 CO 0.02 0.19 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.08 1d9k s HIS 76 N 0.19 2.81 -0.33 5.38 3.76 0.13 -1.13 115.29 126.09 1d9k s HIS 76 Ca -0.13 -1.36 -0.07 0.00 -0.15 0.00 0.00 55.06 53.35 1d9k s HIS 76 Cb -0.16 -1.95 0.03 0.00 1.11 0.00 0.00 32.58 31.61 1d9k s HIS 76 CO 0.07 -0.68 0.11 0.42 -0.85 0.00 0.00 174.74 173.81 1d9k s ILE 77 N 1.22 3.93 0.38 0.60 1.01 -0.92 -1.44 121.20 125.96 1d9k s ILE 77 Ca 0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1d9k s ILE 77 Cb -0.14 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1d9k s ILE 77 CO -0.08 -0.12 0.60 -0.89 0.00 0.00 0.00 174.94 174.45 1d9k s THR 78 N 1.45 5.06 -1.31 2.92 2.01 0.16 0.60 115.64 126.52 1d9k s THR 78 Ca -0.00 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1d9k s THR 78 Cb -0.19 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1d9k s THR 78 CO 0.03 -0.62 0.00 -0.67 -0.69 0.00 0.00 174.62 172.67 1d9k n ASP 79 N -1.86 -3.55 -3.31 3.53 -0.08 -0.99 -4.66 116.55 105.62 1d9k n ASP 79 Ca -0.03 0.29 -0.39 0.00 -1.51 0.00 0.00 54.79 53.15 1d9k n ASP 79 Cb 0.56 -3.25 -0.10 0.00 2.34 0.00 0.00 41.12 40.66 1d9k n ASP 79 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1d9k n SER 80 N -0.78 0.40 -4.92 1.67 7.64 -1.23 -3.88 113.62 112.52 1d9k n SER 80 Ca -0.13 0.33 -0.28 0.00 1.01 0.00 0.00 58.87 59.80 1d9k n SER 80 Cb 0.47 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 1d9k n SER 80 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1d9k s GLN 81 N 5.64 3.56 0.25 1.43 -0.21 -1.26 0.56 119.66 129.63 1d9k s GLN 81 Ca 0.97 -0.21 -0.30 0.00 0.02 0.00 0.00 55.36 55.84 1d9k s GLN 81 Cb -1.05 -2.76 -0.09 0.00 1.00 0.00 0.00 33.01 30.10 1d9k s GLN 81 CO 0.44 0.33 1.26 -1.25 -2.12 0.00 0.00 175.29 173.95 1d9k s PRO 82 N -3.42 4.43 0.00 2.91 0.04 -1.26 -1.10 135.00 136.60 1d9k s PRO 82 Ca 0.40 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1d9k s PRO 82 Cb -0.11 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1d9k s PRO 82 CO 0.29 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1d9k n GLY 83 N 1.68 1.51 0.04 0.56 0.00 -1.26 -4.77 105.19 102.96 1d9k n GLY 83 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1d9k n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d9k n ASP 84 N 0.00 0.25 -4.72 1.61 9.92 -0.26 -4.78 116.55 118.56 1d9k n ASP 84 Ca 0.00 -0.14 -0.42 0.00 -0.53 0.00 0.00 54.79 53.70 1d9k n ASP 84 Cb 0.00 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 1d9k n ASP 84 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1d9k s SER 85 N -2.71 6.54 0.00 -2.24 0.01 -1.26 -4.89 113.70 109.14 1d9k s SER 85 Ca 0.22 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.18 1d9k s SER 85 Cb 0.19 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1d9k s SER 85 CO 0.52 -0.85 0.00 0.00 0.41 0.00 0.00 173.24 173.32 1d9k n ALA 86 N 3.62 0.00 -3.73 1.44 0.00 -1.14 -4.73 120.51 115.97 1d9k n ALA 86 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 1d9k n ALA 86 Cb 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.69 1d9k n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1d9k s THR 87 N -1.58 1.20 -0.17 0.00 2.01 -0.31 -2.00 115.64 114.78 1d9k s THR 87 Ca 0.00 -2.03 -0.29 0.00 0.31 0.00 0.00 61.69 59.68 1d9k s THR 87 Cb 0.00 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1d9k s THR 87 CO 0.00 -0.79 1.24 -0.31 -0.69 0.00 0.00 174.62 174.07 1d9k s TYR 88 N 0.94 2.91 -0.16 4.92 1.51 -0.14 -2.26 117.35 125.07 1d9k s TYR 88 Ca 0.14 1.06 -0.07 0.00 -1.01 0.00 0.00 57.07 57.20 1d9k s TYR 88 Cb -0.21 -3.48 -0.04 0.00 -0.11 0.00 0.00 41.96 38.12 1d9k s TYR 88 CO -0.11 -1.56 0.06 -0.06 -1.11 0.00 0.00 175.55 172.77 1d9k s PHE 89 N 3.41 3.27 -0.31 2.71 0.40 0.17 -1.34 117.98 126.28 1d9k s PHE 89 Ca 0.54 0.12 -0.06 0.00 -0.60 0.00 0.00 56.93 56.92 1d9k s PHE 89 Cb -0.21 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.32 1d9k s PHE 89 CO 0.14 0.24 0.07 0.00 0.70 0.00 0.00 175.22 176.37 1d9k s ALA 91 N 1.43 4.16 -0.27 0.00 0.00 0.03 -1.27 121.76 125.84 1d9k s ALA 91 Ca 0.00 -1.59 -0.26 0.00 0.00 0.00 0.00 51.96 50.12 1d9k s ALA 91 Cb -0.18 -0.72 0.15 0.00 0.00 0.00 0.00 23.12 22.37 1d9k s ALA 91 CO 0.02 -0.33 1.19 0.00 0.00 0.00 0.00 175.76 176.63 1d9k s ALA 92 N -2.66 -2.06 0.28 0.00 0.00 -1.08 -3.10 121.76 113.13 1d9k s ALA 92 Ca 0.39 1.77 -0.08 0.00 0.00 0.00 0.00 51.96 54.03 1d9k s ALA 92 Cb -0.01 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.70 1d9k s ALA 92 CO 0.23 -0.20 0.52 2.41 0.00 0.00 0.00 175.76 178.71 1d9k n THR 93 N 1.64 0.00 -2.69 0.00 -1.04 -0.47 -2.99 114.28 108.74 1d9k n THR 93 Ca -0.10 -0.85 -0.06 0.00 -2.04 0.00 0.00 64.05 60.99 1d9k n THR 93 Cb 0.57 0.73 0.10 0.00 -1.82 0.00 0.00 70.33 69.90 1d9k n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1d9k n GLY 99 N -0.39 1.49 0.00 3.41 0.00 -1.25 -1.64 105.19 106.82 1d9k n GLY 99 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1d9k n GLY 99 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1d9k n SER 100 N -0.59 0.00 -2.04 1.61 7.64 -1.26 -4.95 113.62 114.03 1d9k n SER 100 Ca -0.01 -1.00 -0.02 0.00 1.01 0.00 0.00 58.87 58.84 1d9k n SER 100 Cb 0.84 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.03 1d9k n SER 100 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1d9k n PHE 101 N 0.00 -2.11 0.00 1.43 7.35 -1.26 -4.37 117.46 118.50 1d9k n PHE 101 Ca 0.00 1.16 0.00 0.00 -0.76 0.00 0.00 57.45 57.85 1d9k n PHE 101 Cb 0.44 -2.68 0.00 0.00 0.35 0.00 0.00 39.48 37.59 1d9k n PHE 101 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1d9k n ASN 102 N 0.69 0.00 -4.75 -2.13 5.15 -1.26 -4.96 115.26 108.01 1d9k n ASN 102 Ca -0.15 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.42 1d9k n ASN 102 Cb 0.24 -0.21 -0.05 0.00 -0.53 0.00 0.00 39.78 39.22 1d9k n ASN 102 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1d9k s LYS 103 N 0.00 4.72 0.12 1.20 2.20 -1.26 -5.05 119.74 121.67 1d9k s LYS 103 Ca 0.00 1.39 0.07 0.00 -0.36 0.00 0.00 55.97 57.07 1d9k s LYS 103 Cb 0.00 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 1d9k s LYS 103 CO 0.00 0.40 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.70 1d9k s LEU 104 N -0.65 2.36 -0.35 5.43 1.43 -1.26 -4.60 118.68 121.04 1d9k s LEU 104 Ca 0.42 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1d9k s LEU 104 Cb -0.24 -0.73 0.11 0.00 0.03 0.00 0.00 46.19 45.36 1d9k s LEU 104 CO 0.29 -0.04 0.11 -0.89 0.23 0.00 0.00 176.35 176.06 1d9k s THR 105 N -1.67 1.56 0.44 5.49 2.01 -1.16 -4.99 115.64 117.32 1d9k s THR 105 Ca 0.08 -2.03 -0.21 0.00 0.31 0.00 0.00 61.69 59.84 1d9k s THR 105 Cb -0.08 -2.15 -0.10 0.00 0.01 0.00 0.00 72.50 70.18 1d9k s THR 105 CO 0.04 -0.69 0.97 -0.36 -0.69 0.00 0.00 174.62 173.89 1d9k s PHE 106 N 1.05 3.26 0.00 4.92 0.40 -1.26 -2.64 117.98 123.71 1d9k s PHE 106 Ca 0.12 1.61 0.00 0.00 -0.60 0.00 0.00 56.93 58.06 1d9k s PHE 106 Cb -0.20 -2.90 0.00 0.00 0.51 0.00 0.00 43.02 40.43 1d9k s PHE 106 CO -0.14 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 175.94 1d9k n GLY 107 N -0.50 -1.40 0.16 4.36 0.00 -0.39 -4.64 105.19 102.78 1d9k n GLY 107 Ca 0.07 -1.60 0.14 0.00 0.00 0.00 0.00 46.02 44.64 1d9k n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d9k n ALA 108 N -3.00 2.81 -1.27 4.61 0.00 -1.26 -4.87 120.51 117.53 1d9k n ALA 108 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1d9k n ALA 108 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1d9k n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d9k n GLY 109 N 1.28 -4.48 3.70 0.00 0.00 -1.26 -4.99 105.19 99.43 1d9k n GLY 109 Ca 0.14 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1d9k n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d9k s THR 110 N -1.84 4.67 -0.13 2.61 2.01 -0.45 -4.78 115.64 117.73 1d9k s THR 110 Ca 0.00 -0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.69 1d9k s THR 110 Cb 0.00 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1d9k s THR 110 CO 0.00 0.56 0.62 -0.13 -0.69 0.00 0.00 174.62 174.98 1d9k s ARG 111 N -0.49 4.32 0.06 4.92 0.52 -1.26 -0.97 118.95 126.04 1d9k s ARG 111 Ca 0.10 0.67 0.06 0.00 -0.52 0.00 0.00 55.73 56.04 1d9k s ARG 111 Cb -0.12 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1d9k s ARG 111 CO 0.02 -0.05 -0.10 -1.17 0.02 0.00 0.00 175.30 174.03 1d9k s LEU 112 N 1.24 3.03 -0.20 2.53 2.96 -0.85 0.80 118.68 128.19 1d9k s LEU 112 Ca 0.31 -0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1d9k s LEU 112 Cb -0.16 -1.79 0.08 0.00 0.50 0.00 0.00 46.19 44.82 1d9k s LEU 112 CO 0.13 0.23 0.14 0.00 -1.32 0.00 0.00 176.35 175.53 1d9k s ALA 113 N -1.09 0.21 -0.64 5.97 0.00 0.09 -2.87 121.76 123.44 1d9k s ALA 113 Ca 0.19 -0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.70 1d9k s ALA 113 Cb -0.11 -1.18 0.07 0.00 0.00 0.00 0.00 23.12 21.90 1d9k s ALA 113 CO 0.10 -1.25 0.91 0.08 0.00 0.00 0.00 175.76 175.60 1d9k s VAL 114 N 2.20 4.42 -0.17 0.00 1.01 -1.26 -2.07 120.40 124.53 1d9k s VAL 114 Ca 0.04 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1d9k s VAL 114 Cb -0.16 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 1d9k s VAL 114 CO -0.14 -1.37 0.59 -0.94 0.00 0.00 0.00 175.10 173.25 1d9k s SER 115 N 3.60 6.70 0.24 3.32 1.04 -0.02 -4.09 113.70 124.49 1d9k s SER 115 Ca 0.21 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.48 1d9k s SER 115 Cb -0.18 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1d9k s SER 115 CO 0.10 -0.20 0.00 -0.81 0.98 0.00 0.00 173.24 173.32 1d9k n PRO 116 N 4.64 1.26 0.00 4.02 -0.04 -1.26 -3.90 135.00 139.72 1d9k n PRO 116 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1d9k n PRO 116 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1d9k n PRO 116 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44