#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqq s VAL 2 N 0.00 2.22 0.00 6.31 1.01 -1.26 -4.50 120.40 124.18 1dqq s VAL 2 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1dqq s VAL 2 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1dqq s VAL 2 CO 0.00 0.03 -0.13 -1.10 0.00 0.00 0.00 175.10 173.90 1dqq s GLN 3 N -0.63 0.99 0.18 2.72 -0.21 0.61 -4.98 119.66 118.33 1dqq s GLN 3 Ca 0.61 -0.51 0.09 0.00 0.02 0.00 0.00 55.36 55.57 1dqq s GLN 3 Cb -0.46 -0.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.54 1dqq s GLN 3 CO 0.48 0.26 -0.09 -0.51 -2.12 0.00 0.00 175.29 173.31 1dqq s LEU 4 N -0.47 3.00 -0.25 2.90 1.02 -1.26 -1.50 118.68 122.12 1dqq s LEU 4 Ca 0.04 -0.55 -0.09 0.00 0.02 0.00 0.00 54.13 53.55 1dqq s LEU 4 Cb -0.05 -1.69 0.11 0.00 0.02 0.00 0.00 46.19 44.58 1dqq s LEU 4 CO -0.00 0.11 0.54 -1.58 0.02 0.00 0.00 176.35 175.43 1dqq s GLN 5 N -2.80 0.46 0.29 1.70 2.00 -1.04 -4.33 119.66 115.93 1dqq s GLN 5 Ca 0.25 1.24 -0.15 0.00 -2.00 0.00 0.00 55.36 54.70 1dqq s GLN 5 Cb -0.09 0.59 -0.09 0.00 0.80 0.00 0.00 33.01 34.23 1dqq s GLN 5 CO 0.15 -0.22 0.70 -1.21 -0.50 0.00 0.00 175.29 174.21 1dqq s GLU 6 N 2.71 4.01 -0.15 1.67 8.01 -1.26 -1.03 118.70 132.66 1dqq s GLU 6 Ca -0.04 0.64 -0.20 0.00 0.01 0.00 0.00 54.97 55.38 1dqq s GLU 6 Cb -0.12 -2.54 0.05 0.00 -4.31 0.00 0.00 34.13 27.21 1dqq s GLU 6 CO -0.16 0.22 0.52 0.45 0.01 0.00 0.00 175.26 176.31 1dqq s SER 7 N -2.18 -0.52 0.00 -0.19 0.15 0.23 -4.94 113.70 106.25 1dqq s SER 7 Ca 0.51 0.87 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1dqq s SER 7 Cb -0.11 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1dqq s SER 7 CO 0.18 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1dqq n GLY 8 N 2.26 1.11 3.58 9.45 0.00 -1.26 -0.06 105.19 120.26 1dqq n GLY 8 Ca -0.16 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1dqq n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dqq n PRO 9 N -1.12 1.16 0.11 1.61 -0.02 -1.26 -4.90 135.00 130.58 1dqq n PRO 9 Ca 0.00 0.42 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 1dqq n PRO 9 Cb 0.00 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 1dqq n PRO 9 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1dqq h SER 10 N 1.36 0.00 -4.27 2.55 0.02 -1.95 -3.45 113.55 107.81 1dqq h SER 10 Ca -0.43 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.00 1dqq h SER 10 Cb 1.35 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.60 1dqq h SER 10 CO 0.56 0.29 -0.82 -0.76 -1.14 0.00 0.00 176.83 174.95 1dqq s LEU 11 N -5.87 2.03 -0.04 5.07 1.43 -1.26 -0.74 118.68 119.30 1dqq s LEU 11 Ca 0.01 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1dqq s LEU 11 Cb 0.08 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.50 1dqq s LEU 11 CO 0.77 0.19 -0.05 -0.69 0.23 0.00 0.00 176.35 176.80 1dqq s VAL 12 N -0.37 0.52 0.39 -1.59 1.01 -0.35 -4.95 120.40 115.06 1dqq s VAL 12 Ca 0.06 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.66 1dqq s VAL 12 Cb -0.06 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 1dqq s VAL 12 CO -0.01 0.21 1.01 -0.54 0.00 0.00 0.00 175.10 175.78 1dqq s LYS 13 N 0.73 4.27 0.40 2.72 1.02 -1.26 -1.62 119.74 125.99 1dqq s LYS 13 Ca -0.10 1.42 -0.25 0.00 0.02 0.00 0.00 55.97 57.07 1dqq s LYS 13 Cb -0.13 -2.56 -0.11 0.00 -0.52 0.00 0.00 37.83 34.51 1dqq s LYS 13 CO 0.00 -0.03 0.95 -2.30 -0.92 0.00 0.00 175.35 173.05 1dqq n PRO 14 N 0.01 1.24 0.00 -1.68 -0.02 -1.26 -1.97 135.00 131.31 1dqq n PRO 14 Ca 0.05 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1dqq n PRO 14 Cb 0.50 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1dqq n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dqq n SER 15 N 0.71 0.00 -4.68 2.55 3.41 -0.16 -4.93 113.62 110.52 1dqq n SER 15 Ca 0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.47 1dqq n SER 15 Cb 0.38 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.44 1dqq n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1dqq s GLN 16 N -0.06 1.64 -0.14 4.33 -0.21 -0.83 -3.88 119.66 120.50 1dqq s GLN 16 Ca 0.00 -1.20 -0.14 0.00 0.02 0.00 0.00 55.36 54.04 1dqq s GLN 16 Cb 0.00 -2.35 -0.05 0.00 1.00 0.00 0.00 33.01 31.62 1dqq s GLN 16 CO 0.00 -1.47 0.32 0.99 -2.12 0.00 0.00 175.29 173.01 1dqq s THR 17 N -3.13 5.28 -0.14 -0.19 2.01 -1.26 -1.95 115.64 116.25 1dqq s THR 17 Ca 0.67 0.61 -0.19 0.00 0.31 0.00 0.00 61.69 63.09 1dqq s THR 17 Cb -0.05 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1dqq s THR 17 CO 0.44 0.40 0.50 -0.22 -0.69 0.00 0.00 174.62 175.06 1dqq s LEU 18 N 0.32 4.25 0.02 4.42 0.20 0.10 -4.91 118.68 123.08 1dqq s LEU 18 Ca 0.18 0.80 0.07 0.00 0.69 0.00 0.00 54.13 55.88 1dqq s LEU 18 Cb -0.13 -2.72 -0.02 0.00 -0.43 0.00 0.00 46.19 42.88 1dqq s LEU 18 CO 0.05 -0.05 -0.22 -0.44 -0.29 0.00 0.00 176.35 175.40 1dqq s SER 19 N 0.77 2.64 -0.02 3.68 0.01 -1.26 -0.84 113.70 118.68 1dqq s SER 19 Ca 0.26 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 1dqq s SER 19 Cb -0.15 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.84 1dqq s SER 19 CO 0.10 0.21 0.24 -0.76 0.41 0.00 0.00 173.24 173.45 1dqq s LEU 20 N -0.97 1.14 0.06 2.44 1.43 -0.54 -4.24 118.68 118.00 1dqq s LEU 20 Ca 0.09 0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 1dqq s LEU 20 Cb -0.09 0.99 -0.03 0.00 0.03 0.00 0.00 46.19 47.09 1dqq s LEU 20 CO 0.01 -0.37 -0.22 -0.89 0.23 0.00 0.00 176.35 175.10 1dqq s THR 21 N -1.16 2.48 -0.15 5.49 2.01 0.91 -1.50 115.64 123.71 1dqq s THR 21 Ca -0.12 -1.35 0.00 0.00 0.31 0.00 0.00 61.69 60.54 1dqq s THR 21 Cb -0.06 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.45 1dqq s THR 21 CO 0.03 0.31 -0.14 0.00 -0.69 0.00 0.00 174.62 174.13 1dqq s SER 23 N 1.49 6.20 -0.26 0.00 0.01 -0.20 -1.89 113.70 119.06 1dqq s SER 23 Ca 0.05 0.21 -0.11 0.00 1.31 0.00 0.00 55.95 57.41 1dqq s SER 23 Cb -0.13 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 1dqq s SER 23 CO -0.11 0.06 0.21 -0.69 0.41 0.00 0.00 173.24 173.12 1dqq s VAL 24 N 0.98 5.31 0.17 3.43 1.01 -0.43 -2.50 120.40 128.36 1dqq s VAL 24 Ca 0.10 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.40 1dqq s VAL 24 Cb -0.13 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1dqq s VAL 24 CO 0.04 0.28 -0.15 0.42 0.00 0.00 0.00 175.10 175.69 1dqq s THR 25 N 1.47 1.65 0.00 3.92 -4.23 -0.56 -4.74 115.64 113.14 1dqq s THR 25 Ca 0.09 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1dqq s THR 25 Cb -0.15 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1dqq s THR 25 CO 0.08 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1dqq n GLY 26 N 0.03 2.75 3.67 3.99 0.00 -1.26 -0.29 105.19 114.08 1dqq n GLY 26 Ca -0.11 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1dqq n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dqq s ASP 27 N 0.42 -0.17 0.69 1.61 3.68 -1.26 -4.58 116.67 117.06 1dqq s ASP 27 Ca 0.00 -0.76 -0.11 0.00 2.13 0.00 0.00 52.55 53.81 1dqq s ASP 27 Cb 0.00 0.63 0.01 0.00 -1.45 0.00 0.00 42.92 42.11 1dqq s ASP 27 CO 0.00 -1.19 1.07 -0.94 0.13 0.00 0.00 175.17 174.23 1dqq s SER 28 N -2.97 5.51 0.12 -0.34 1.04 -1.26 -4.89 113.70 110.91 1dqq s SER 28 Ca 0.17 1.34 0.24 0.00 0.48 0.00 0.00 55.95 58.18 1dqq s SER 28 Cb -0.02 -2.22 0.93 0.00 0.10 0.00 0.00 66.02 64.81 1dqq s SER 28 CO 0.07 -1.33 1.74 0.55 0.98 0.00 0.00 173.24 175.25 1dqq n VAL 29 N -3.03 0.55 0.85 5.02 3.14 -1.26 -2.36 118.33 121.25 1dqq n VAL 29 Ca 0.07 0.02 0.11 0.00 -2.96 0.00 0.00 64.34 61.58 1dqq n VAL 29 Cb 0.55 -0.77 0.29 0.00 -1.06 0.00 0.00 33.84 32.85 1dqq n VAL 29 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1dqq n THR 30 N -1.88 0.29 1.71 1.55 -2.24 -1.26 -4.20 114.28 108.25 1dqq n THR 30 Ca 0.05 -0.52 0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1dqq n THR 30 Cb 0.31 0.74 0.72 0.00 -2.10 0.00 0.00 70.33 70.00 1dqq n THR 30 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1dqq n SER 31 N 0.90 0.72 -2.72 3.42 3.41 -1.00 -4.86 113.62 113.50 1dqq n SER 31 Ca 0.17 -1.18 0.01 0.00 -0.26 0.00 0.00 58.87 57.61 1dqq n SER 31 Cb 0.47 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1dqq n SER 31 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1dqq n ASP 32 N -0.47 -0.89 -4.86 4.04 4.64 -1.26 -5.06 116.55 112.69 1dqq n ASP 32 Ca 0.21 -1.30 -0.37 0.00 -1.38 0.00 0.00 54.79 51.94 1dqq n ASP 32 Cb 0.24 1.41 -0.06 0.00 -1.04 0.00 0.00 41.12 41.67 1dqq n ASP 32 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1dqq s TYR 33 N -2.75 3.65 0.13 -0.67 4.12 -1.26 -4.18 117.35 116.38 1dqq s TYR 33 Ca 0.18 0.71 0.10 0.00 0.02 0.00 0.00 57.07 58.08 1dqq s TYR 33 Cb -0.01 -2.08 -0.04 0.00 -1.52 0.00 0.00 41.96 38.31 1dqq s TYR 33 CO 0.01 0.70 -0.23 -1.58 0.02 0.00 0.00 175.55 174.46 1dqq s TRP 34 N -1.06 2.04 0.28 2.71 0.52 -0.93 -1.16 118.94 121.34 1dqq s TRP 34 Ca 0.19 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.93 1dqq s TRP 34 Cb -0.14 -1.10 -0.05 0.00 -1.15 0.00 0.00 33.47 31.03 1dqq s TRP 34 CO 0.08 0.29 0.09 -1.54 0.02 0.00 0.00 176.95 175.89 1dqq s SER 35 N -2.09 1.52 -0.07 2.95 1.04 0.87 -0.53 113.70 117.40 1dqq s SER 35 Ca 0.11 -1.39 0.04 0.00 0.48 0.00 0.00 55.95 55.19 1dqq s SER 35 Cb -0.09 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1dqq s SER 35 CO 0.06 -0.71 -0.19 0.26 0.98 0.00 0.00 173.24 173.64 1dqq s TRP 36 N -3.63 1.98 0.02 5.02 0.52 -0.74 -2.05 118.94 120.06 1dqq s TRP 36 Ca 0.37 -0.70 0.03 0.00 0.02 0.00 0.00 56.10 55.83 1dqq s TRP 36 Cb 0.08 -1.35 -0.01 0.00 -1.15 0.00 0.00 33.47 31.03 1dqq s TRP 36 CO 0.14 -0.28 -0.10 0.42 0.02 0.00 0.00 176.95 177.15 1dqq s ILE 37 N 0.28 0.78 0.09 2.03 1.01 0.35 -1.55 121.20 124.19 1dqq s ILE 37 Ca -0.11 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1dqq s ILE 37 Cb -0.15 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1dqq s ILE 37 CO 0.05 0.02 -0.15 0.00 0.00 0.00 0.00 174.94 174.86 1dqq s ARG 38 N -0.76 0.91 -0.17 2.79 1.70 -0.71 0.14 118.95 122.85 1dqq s ARG 38 Ca 0.00 -1.06 0.01 0.00 -0.47 0.00 0.00 55.73 54.21 1dqq s ARG 38 Cb -0.06 -0.90 0.03 0.00 -0.57 0.00 0.00 34.95 33.45 1dqq s ARG 38 CO 0.00 0.19 -0.13 0.21 -1.08 0.00 0.00 175.30 174.50 1dqq s LYS 39 N -2.03 2.19 0.55 3.89 2.20 0.01 -0.64 119.74 125.91 1dqq s LYS 39 Ca 0.02 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 54.91 1dqq s LYS 39 Cb -0.08 -2.23 0.01 0.00 -1.51 0.00 0.00 37.83 34.01 1dqq s LYS 39 CO 0.03 -0.32 0.84 -0.06 -0.36 0.00 0.00 175.35 175.48 1dqq s PHE 40 N 1.45 3.24 0.66 4.03 0.08 0.48 -1.92 117.98 126.00 1dqq s PHE 40 Ca 0.02 0.53 -0.18 0.00 0.12 0.00 0.00 56.93 57.43 1dqq s PHE 40 Cb -0.14 -2.62 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 1dqq s PHE 40 CO -0.10 -0.69 1.18 -0.35 -0.10 0.00 0.00 175.22 175.16 1dqq n PRO 41 N -2.44 0.94 -1.01 0.24 -0.04 -1.26 -2.83 135.00 128.59 1dqq n PRO 41 Ca 0.04 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1dqq n PRO 41 Cb 0.58 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1dqq n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dqq n GLY 42 N 1.00 0.71 3.88 0.55 0.00 -1.26 -4.23 105.19 105.83 1dqq n GLY 42 Ca 0.15 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1dqq n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dqq n ASN 43 N 1.39 -0.71 -4.25 1.61 3.02 -1.17 -4.96 115.26 110.19 1dqq n ASN 43 Ca 0.00 -0.94 -0.38 0.00 -0.03 0.00 0.00 54.58 53.22 1dqq n ASN 43 Cb 0.16 -3.37 -0.12 0.00 -0.61 0.00 0.00 39.78 35.84 1dqq n ASN 43 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1dqq s LYS 44 N -6.39 2.54 0.02 3.52 1.02 -1.13 -4.97 119.74 114.35 1dqq s LYS 44 Ca 0.03 -1.33 -0.15 0.00 0.02 0.00 0.00 55.97 54.54 1dqq s LYS 44 Cb -0.02 -3.55 -0.06 0.00 -0.52 0.00 0.00 37.83 33.68 1dqq s LYS 44 CO 0.86 -0.79 0.42 -0.51 -0.92 0.00 0.00 175.35 174.42 1dqq s LEU 45 N 1.37 4.47 -0.07 3.17 1.43 -1.26 -0.39 118.68 127.40 1dqq s LEU 45 Ca 0.01 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1dqq s LEU 45 Cb -0.21 -2.65 0.02 0.00 0.03 0.00 0.00 46.19 43.38 1dqq s LEU 45 CO 0.02 0.31 -0.06 -0.70 0.23 0.00 0.00 176.35 176.14 1dqq s GLU 46 N -1.17 1.18 -0.77 1.70 2.12 0.18 -5.00 118.70 116.96 1dqq s GLU 46 Ca 0.25 -0.19 -0.24 0.00 0.36 0.00 0.00 54.97 55.16 1dqq s GLU 46 Cb -0.17 -1.18 0.06 0.00 0.26 0.00 0.00 34.13 33.10 1dqq s GLU 46 CO 0.14 -0.13 1.16 -0.47 -0.54 0.00 0.00 175.26 175.42 1dqq s TYR 47 N 1.20 2.57 0.20 5.30 5.04 -1.26 -1.73 117.35 128.66 1dqq s TYR 47 Ca -0.06 -0.51 -0.10 0.00 -2.44 0.00 0.00 57.07 53.96 1dqq s TYR 47 Cb -0.14 -4.46 0.13 0.00 0.35 0.00 0.00 41.96 37.84 1dqq s TYR 47 CO -0.02 -1.82 1.81 0.52 -1.34 0.00 0.00 175.55 174.71 1dqq h MET 48 N 9.68 1.00 0.00 4.97 2.86 -1.65 -3.40 114.93 128.39 1dqq h MET 48 Ca -0.17 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1dqq h MET 48 Cb 1.05 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1dqq h MET 48 CO 1.24 0.75 0.00 0.41 1.06 0.00 0.00 176.91 180.37 1dqq n GLY 49 N -1.08 -0.89 3.42 8.32 0.00 -1.19 -0.98 105.19 112.80 1dqq n GLY 49 Ca 0.06 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 1dqq n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dqq s TYR 50 N -2.00 0.23 -0.03 1.61 -0.85 -0.70 -1.79 117.35 113.82 1dqq s TYR 50 Ca 0.00 -0.59 0.02 0.00 -0.52 0.00 0.00 57.07 55.99 1dqq s TYR 50 Cb 0.00 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.45 1dqq s TYR 50 CO 0.00 -0.81 -0.09 -1.50 -1.52 0.00 0.00 175.55 171.63 1dqq s ILE 51 N -3.94 0.81 0.52 -3.49 2.07 0.31 -1.72 121.20 115.77 1dqq s ILE 51 Ca 0.15 -0.37 -0.07 0.00 -1.41 0.00 0.00 60.65 58.96 1dqq s ILE 51 Cb 0.02 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 1dqq s ILE 51 CO -0.00 0.26 0.85 -0.94 -1.91 0.00 0.00 174.94 173.20 1dqq s SER 52 N 0.25 6.19 0.00 4.50 1.04 0.50 -2.20 113.70 123.99 1dqq s SER 52 Ca -0.04 1.02 0.02 0.00 0.48 0.00 0.00 55.95 57.44 1dqq s SER 52 Cb -0.09 -2.25 0.15 0.00 0.10 0.00 0.00 66.02 63.92 1dqq s SER 52 CO 0.01 -0.69 0.90 0.00 0.98 0.00 0.00 173.24 174.43 1dqq n TYR 53 N -2.40 0.00 0.73 5.02 0.18 -1.26 -0.53 117.16 118.89 1dqq n TYR 53 Ca 0.02 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.89 1dqq n TYR 53 Cb 0.55 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.57 1dqq n TYR 53 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1dqq n SER 54 N -0.55 2.32 0.00 9.48 3.41 -1.26 -4.97 113.62 122.05 1dqq n SER 54 Ca 0.02 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1dqq n SER 54 Cb 0.01 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1dqq n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dqq n GLY 55 N 1.01 0.99 3.77 5.00 0.00 0.31 -5.06 105.19 111.21 1dqq n GLY 55 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1dqq n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dqq s SER 56 N -2.48 6.04 0.09 1.61 0.01 -1.26 -4.73 113.70 112.99 1dqq s SER 56 Ca 0.00 2.40 0.07 0.00 1.31 0.00 0.00 55.95 59.74 1dqq s SER 56 Cb 0.00 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1dqq s SER 56 CO 0.00 -1.01 -0.19 0.42 0.41 0.00 0.00 173.24 172.87 1dqq s THR 57 N -1.48 1.54 -0.06 1.44 -4.23 -1.26 -0.37 115.64 111.22 1dqq s THR 57 Ca 0.64 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1dqq s THR 57 Cb -0.31 -1.41 0.02 0.00 1.34 0.00 0.00 72.50 72.14 1dqq s THR 57 CO 0.38 -0.08 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.04 1dqq s TYR 58 N -1.15 0.79 0.09 3.99 2.02 -0.70 -5.01 117.35 117.38 1dqq s TYR 58 Ca 0.04 -0.24 0.09 0.00 -0.37 0.00 0.00 57.07 56.59 1dqq s TYR 58 Cb -0.10 -0.77 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 1dqq s TYR 58 CO 0.03 -0.27 -0.22 0.71 -1.57 0.00 0.00 175.55 174.23 1dqq s TYR 59 N 1.36 2.43 0.07 2.71 2.02 -1.26 -1.72 117.35 122.96 1dqq s TYR 59 Ca -0.04 -0.33 -0.31 0.00 -0.37 0.00 0.00 57.07 56.03 1dqq s TYR 59 Cb -0.13 -1.36 -0.09 0.00 -0.40 0.00 0.00 41.96 39.98 1dqq s TYR 59 CO -0.02 0.29 1.74 -1.58 -1.57 0.00 0.00 175.55 174.40 1dqq s HIS 60 N -1.00 2.18 0.54 2.71 2.46 -0.15 -4.86 115.29 117.18 1dqq s HIS 60 Ca 0.15 0.12 0.32 0.00 0.47 0.00 0.00 55.06 56.12 1dqq s HIS 60 Cb -0.10 -4.06 1.49 0.00 -0.13 0.00 0.00 32.58 29.78 1dqq s HIS 60 CO 0.06 -4.36 1.88 -1.00 -2.47 0.00 0.00 174.74 168.85 1dqq h PRO 61 N 8.73 0.00 0.00 2.88 0.13 -1.95 0.22 132.00 142.02 1dqq h PRO 61 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1dqq h PRO 61 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1dqq h PRO 61 CO 0.94 0.00 -0.04 1.03 -0.23 0.00 0.00 178.00 179.70 1dqq h SER 62 N 0.00 0.00 -0.33 1.44 0.87 -1.98 -2.59 113.55 110.96 1dqq h SER 62 Ca 0.44 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.80 1dqq h SER 62 Cb 1.75 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.61 1dqq h SER 62 CO -0.00 0.04 0.25 0.18 -0.53 0.00 0.00 176.83 176.77 1dqq n LEU 63 N -3.18 5.12 0.00 2.23 4.32 0.79 -4.93 117.00 121.35 1dqq n LEU 63 Ca -0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 56.01 53.40 1dqq n LEU 63 Cb 0.29 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.26 1dqq n LEU 63 CO 0.27 0.91 0.00 0.29 -1.22 0.00 0.00 177.39 177.64 1dqq n LYS 64 N 0.29 0.00 -1.59 3.23 5.02 -0.98 -0.63 118.16 123.50 1dqq n LYS 64 Ca 0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.38 1dqq n LYS 64 Cb 0.74 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.71 1dqq n LYS 64 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1dqq n SER 65 N 0.00 -3.22 -0.04 4.39 3.41 -1.26 -4.77 113.62 112.13 1dqq n SER 65 Ca 0.00 0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.99 1dqq n SER 65 Cb 0.00 -2.99 -0.02 0.00 -0.26 0.00 0.00 64.21 60.94 1dqq n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1dqq n ARG 66 N -2.00 0.11 -4.15 4.33 1.74 0.19 -4.95 116.66 111.93 1dqq n ARG 66 Ca -0.12 -0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.56 1dqq n ARG 66 Cb 0.43 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.30 1dqq n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1dqq s ILE 67 N -2.95 4.38 -0.09 0.55 2.07 -1.24 -0.13 121.20 123.80 1dqq s ILE 67 Ca 0.10 -0.66 -0.04 0.00 -1.41 0.00 0.00 60.65 58.64 1dqq s ILE 67 Cb 0.17 -3.03 0.05 0.00 0.13 0.00 0.00 42.46 39.77 1dqq s ILE 67 CO 0.80 0.26 0.18 -0.55 -1.91 0.00 0.00 174.94 173.73 1dqq s SER 68 N -1.95 0.16 -0.15 4.50 0.15 0.16 -5.00 113.70 111.58 1dqq s SER 68 Ca 0.24 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.28 1dqq s SER 68 Cb -0.12 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1dqq s SER 68 CO 0.16 -0.19 -0.17 -0.63 1.20 0.00 0.00 173.24 173.60 1dqq s ILE 69 N 1.65 2.49 0.23 6.45 1.01 -1.26 -1.18 121.20 130.58 1dqq s ILE 69 Ca -0.05 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1dqq s ILE 69 Cb -0.12 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 1dqq s ILE 69 CO -0.07 0.53 0.03 0.42 0.00 0.00 0.00 174.94 175.85 1dqq s THR 70 N 0.79 0.79 0.07 2.92 -4.23 -1.09 -4.95 115.64 109.94 1dqq s THR 70 Ca -0.06 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 1dqq s THR 70 Cb -0.15 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 1dqq s THR 70 CO -0.00 -0.26 -0.07 0.00 -0.54 0.00 0.00 174.62 173.75 1dqq s ARG 71 N -3.93 0.67 -0.30 3.99 1.70 -1.26 0.64 118.95 120.46 1dqq s ARG 71 Ca 0.30 -1.06 0.01 0.00 -0.47 0.00 0.00 55.73 54.51 1dqq s ARG 71 Cb 0.07 -0.19 0.09 0.00 -0.57 0.00 0.00 34.95 34.35 1dqq s ARG 71 CO 0.09 -0.00 0.04 0.34 -1.08 0.00 0.00 175.30 174.69 1dqq s ASP 72 N -2.38 4.19 0.52 -2.89 -1.08 0.27 -4.98 116.67 110.33 1dqq s ASP 72 Ca 0.01 -1.67 0.31 0.00 -0.52 0.00 0.00 52.55 50.68 1dqq s ASP 72 Cb -0.01 -1.19 1.25 0.00 -1.46 0.00 0.00 42.92 41.52 1dqq s ASP 72 CO -0.03 -0.36 1.95 0.71 0.52 0.00 0.00 175.17 177.96 1dqq h THR 73 N 6.58 0.18 0.02 1.71 1.35 -1.98 -0.72 112.91 120.04 1dqq h THR 73 Ca -0.12 -0.68 -0.22 0.00 -0.55 0.00 0.00 66.41 64.85 1dqq h THR 73 Cb 1.03 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1dqq h THR 73 CO 0.47 0.07 -0.95 0.77 -0.25 0.00 0.00 175.52 175.62 1dqq h SER 74 N 0.00 0.33 0.05 5.36 4.64 -1.94 -3.26 113.55 118.73 1dqq h SER 74 Ca -0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1dqq h SER 74 Cb 0.57 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1dqq h SER 74 CO 0.01 1.11 -0.33 0.29 -0.87 0.00 0.00 176.83 177.04 1dqq n LYS 75 N -3.65 1.28 -3.59 4.77 5.02 -1.10 -4.98 118.16 115.91 1dqq n LYS 75 Ca -0.05 -0.98 -0.22 0.00 -2.02 0.00 0.00 58.31 55.05 1dqq n LYS 75 Cb 0.85 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 34.43 1dqq n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1dqq n ASN 76 N -0.01 -2.96 -4.02 4.39 3.02 -0.31 -4.82 115.26 110.55 1dqq n ASN 76 Ca 0.11 -0.82 -0.08 0.00 -0.03 0.00 0.00 54.58 53.76 1dqq n ASN 76 Cb 0.45 -4.24 -0.10 0.00 -0.61 0.00 0.00 39.78 35.27 1dqq n ASN 76 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1dqq s GLN 77 N -5.64 0.52 0.09 3.52 -0.21 -1.03 -1.32 119.66 115.58 1dqq s GLN 77 Ca 0.17 -0.94 0.01 0.00 0.02 0.00 0.00 55.36 54.62 1dqq s GLN 77 Cb -0.04 0.18 -0.04 0.00 1.00 0.00 0.00 33.01 34.11 1dqq s GLN 77 CO 0.80 -0.10 -0.06 1.52 -2.12 0.00 0.00 175.29 175.33 1dqq s TYR 78 N -2.90 0.81 0.26 0.91 1.13 -0.79 -0.56 117.35 116.20 1dqq s TYR 78 Ca -0.02 -0.94 0.06 0.00 -1.41 0.00 0.00 57.07 54.75 1dqq s TYR 78 Cb 0.01 -0.49 -0.06 0.00 -1.10 0.00 0.00 41.96 40.32 1dqq s TYR 78 CO -0.06 -0.20 -0.05 0.71 -2.51 0.00 0.00 175.55 173.45 1dqq s TYR 79 N -3.65 1.81 -0.09 -3.49 1.51 0.21 -1.23 117.35 112.43 1dqq s TYR 79 Ca 0.10 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1dqq s TYR 79 Cb 0.06 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.89 1dqq s TYR 79 CO -0.06 0.18 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.27 1dqq s LEU 80 N -3.39 1.60 -0.13 -1.29 2.96 -0.57 -2.67 118.68 115.19 1dqq s LEU 80 Ca 0.29 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1dqq s LEU 80 Cb 0.04 -0.91 0.03 0.00 0.50 0.00 0.00 46.19 45.85 1dqq s LEU 80 CO 0.10 0.01 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.00 1dqq s GLN 81 N 0.91 1.26 -0.24 1.98 -0.21 -0.33 -1.46 119.66 121.56 1dqq s GLN 81 Ca -0.09 -0.31 0.02 0.00 0.02 0.00 0.00 55.36 54.99 1dqq s GLN 81 Cb -0.15 -1.70 0.06 0.00 1.00 0.00 0.00 33.01 32.22 1dqq s GLN 81 CO 0.01 -0.37 -0.10 -1.17 -2.12 0.00 0.00 175.29 171.54 1dqq s LEU 82 N 1.74 3.06 0.78 2.90 2.96 -0.02 -0.66 118.68 129.44 1dqq s LEU 82 Ca 0.03 -1.27 -0.11 0.00 -0.22 0.00 0.00 54.13 52.56 1dqq s LEU 82 Cb -0.14 -1.42 0.06 0.00 0.50 0.00 0.00 46.19 45.19 1dqq s LEU 82 CO -0.07 -0.19 1.09 0.20 -1.32 0.00 0.00 176.35 176.06 1dqq s ASN 83 N 1.21 4.65 -0.90 3.68 0.01 0.82 -0.72 114.94 123.70 1dqq s ASN 83 Ca -0.07 1.33 -0.18 0.00 -0.71 0.00 0.00 52.86 53.23 1dqq s ASN 83 Cb -0.19 -2.09 0.03 0.00 0.41 0.00 0.00 41.25 39.41 1dqq s ASN 83 CO -0.06 -1.87 0.34 -1.20 -1.51 0.00 0.00 177.10 172.80 1dqq n SER 84 N -3.37 -1.87 -4.75 -1.22 7.64 -1.10 -4.88 113.62 104.07 1dqq n SER 84 Ca 0.07 -0.90 -0.32 0.00 1.01 0.00 0.00 58.87 58.74 1dqq n SER 84 Cb 0.56 -1.08 0.10 0.00 -1.01 0.00 0.00 64.21 62.77 1dqq n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1dqq s VAL 85 N -3.98 3.00 0.32 0.44 -7.23 -0.82 -4.59 120.40 107.54 1dqq s VAL 85 Ca 0.25 0.36 0.05 0.00 -1.81 0.00 0.00 61.98 60.83 1dqq s VAL 85 Cb -0.14 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.99 1dqq s VAL 85 CO 0.67 -0.39 0.20 0.42 -0.31 0.00 0.00 175.10 175.69 1dqq s THR 86 N -2.68 0.22 0.59 5.32 -4.23 -1.26 -0.99 115.64 112.62 1dqq s THR 86 Ca 0.64 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.44 1dqq s THR 86 Cb -0.20 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.54 1dqq s THR 86 CO 0.53 0.00 1.97 0.74 -0.54 0.00 0.00 174.62 177.32 1dqq h THR 87 N 2.14 0.37 0.00 3.99 2.02 -1.98 0.25 112.91 119.70 1dqq h THR 87 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1dqq h THR 87 Cb 1.25 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1dqq h THR 87 CO 0.47 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 176.03 1dqq h GLU 88 N 0.00 0.00 -0.03 6.66 4.39 -1.95 -2.32 114.58 121.33 1dqq h GLU 88 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1dqq h GLU 88 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1dqq h GLU 88 CO -0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 1dqq n ASP 89 N -2.32 1.78 -4.71 1.42 8.00 0.88 -4.87 116.55 116.72 1dqq n ASP 89 Ca 0.01 -1.60 -0.42 0.00 0.71 0.00 0.00 54.79 53.49 1dqq n ASP 89 Cb 0.19 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1dqq n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dqq s THR 90 N -1.98 3.40 -0.03 -3.53 2.01 -0.88 -4.83 115.64 109.80 1dqq s THR 90 Ca 0.36 1.00 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1dqq s THR 90 Cb 0.21 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1dqq s THR 90 CO 0.33 0.07 0.00 0.00 -0.69 0.00 0.00 174.62 174.33 1dqq n ALA 91 N 4.06 0.00 -2.70 7.40 0.00 -0.80 -4.71 120.51 123.77 1dqq n ALA 91 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 1dqq n ALA 91 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1dqq n ALA 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dqq s THR 92 N -2.14 5.38 -0.13 0.00 2.01 -0.81 -1.30 115.64 118.66 1dqq s THR 92 Ca 0.00 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 1dqq s THR 92 Cb 0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 1dqq s THR 92 CO 0.00 0.40 0.02 -0.31 -0.69 0.00 0.00 174.62 174.04 1dqq s TYR 93 N 0.65 3.20 0.07 4.92 1.51 0.20 -0.81 117.35 127.09 1dqq s TYR 93 Ca 0.08 0.10 0.05 0.00 -1.01 0.00 0.00 57.07 56.30 1dqq s TYR 93 Cb -0.12 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 1dqq s TYR 93 CO 0.01 0.31 -0.14 0.71 -1.11 0.00 0.00 175.55 175.33 1dqq s TYR 94 N -0.31 1.23 0.19 2.71 2.02 0.12 -0.41 117.35 122.89 1dqq s TYR 94 Ca 0.07 -0.44 0.09 0.00 -0.37 0.00 0.00 57.07 56.42 1dqq s TYR 94 Cb -0.12 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 1dqq s TYR 94 CO 0.02 0.06 -0.07 0.00 -1.57 0.00 0.00 175.55 173.98 1dqq s ALA 96 N -1.76 -1.86 0.36 0.00 0.00 -0.87 -1.25 121.76 116.38 1dqq s ALA 96 Ca 0.26 0.72 -0.27 0.00 0.00 0.00 0.00 51.96 52.67 1dqq s ALA 96 Cb -0.09 0.42 -0.09 0.00 0.00 0.00 0.00 23.12 23.36 1dqq s ALA 96 CO 0.16 -0.86 1.25 -1.54 0.00 0.00 0.00 175.76 174.78 1dqq s SER 97 N -2.68 6.64 0.44 0.00 1.04 -0.54 -0.09 113.70 118.51 1dqq s SER 97 Ca 0.09 2.56 0.21 0.00 0.48 0.00 0.00 55.95 59.30 1dqq s SER 97 Cb -0.00 -2.64 1.16 0.00 0.10 0.00 0.00 66.02 64.64 1dqq s SER 97 CO -0.04 -0.61 1.60 4.11 0.98 0.00 0.00 173.24 179.28 1dqq h TRP 98 N 3.06 0.00 0.00 5.02 5.08 -1.42 0.23 115.95 127.92 1dqq h TRP 98 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 1dqq h TRP 98 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1dqq h TRP 98 CO 0.55 0.00 -0.71 0.78 -1.28 0.00 0.00 178.44 177.79 1dqq h GLY 99 N 0.00 0.00 0.00 11.11 0.00 -1.88 -3.48 103.07 108.82 1dqq h GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dqq h GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1dqq n GLY 100 N 1.28 0.74 0.23 4.60 0.00 0.81 -4.94 105.19 107.91 1dqq n GLY 100 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1dqq n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dqq h ASP 101 N 0.00 0.00 -3.68 1.61 3.32 -1.93 -3.43 116.42 112.31 1dqq h ASP 101 Ca 0.00 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.82 1dqq h ASP 101 Cb 0.00 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.26 1dqq h ASP 101 CO 0.00 0.22 -0.64 0.54 -1.72 0.00 0.00 179.24 177.64 1dqq s VAL 102 N -4.30 -0.01 0.11 -1.35 0.11 -1.26 -5.02 120.40 108.67 1dqq s VAL 102 Ca -0.03 0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 1dqq s VAL 102 Cb 0.14 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.83 1dqq s VAL 102 CO 0.66 0.02 -0.12 0.26 -3.33 0.00 0.00 175.10 172.59 1dqq s TRP 103 N 0.31 1.25 0.93 1.54 0.52 -1.26 -1.47 118.94 120.76 1dqq s TRP 103 Ca -0.02 -0.61 -0.13 0.00 0.02 0.00 0.00 56.10 55.36 1dqq s TRP 103 Cb -0.03 -0.66 0.20 0.00 -1.15 0.00 0.00 33.47 31.83 1dqq s TRP 103 CO -0.01 0.08 1.27 0.20 0.02 0.00 0.00 176.95 178.51 1dqq s GLY 104 N -2.49 1.80 0.16 0.98 0.00 -0.38 -4.51 107.32 102.87 1dqq s GLY 104 Ca 0.08 -1.41 0.25 0.00 0.00 0.00 0.00 44.72 43.64 1dqq s GLY 104 CO 0.02 -0.65 1.76 0.00 0.00 0.00 0.00 173.10 174.23 1dqq n ALA 105 N -3.61 2.06 0.00 3.20 0.00 -1.26 -4.84 120.51 116.06 1dqq n ALA 105 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1dqq n ALA 105 Cb 0.60 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1dqq n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dqq n GLY 106 N 0.87 -1.25 2.99 0.00 0.00 -1.26 -5.06 105.19 101.48 1dqq n GLY 106 Ca 0.05 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 1dqq n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dqq s THR 107 N -3.19 -0.01 0.07 2.61 -1.32 0.45 -4.93 115.64 109.31 1dqq s THR 107 Ca 0.00 0.05 -0.22 0.00 -1.21 0.00 0.00 61.69 60.32 1dqq s THR 107 Cb 0.00 -0.22 -0.06 0.00 -1.51 0.00 0.00 72.50 70.71 1dqq s THR 107 CO 0.00 0.02 0.65 -0.89 -2.21 0.00 0.00 174.62 172.20 1dqq s THR 108 N 0.41 4.70 -0.10 5.08 2.01 -1.26 0.60 115.64 127.08 1dqq s THR 108 Ca -0.03 1.40 0.00 0.00 0.31 0.00 0.00 61.69 63.38 1dqq s THR 108 Cb -0.04 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.49 1dqq s THR 108 CO -0.02 0.48 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1dqq s VAL 109 N -0.71 1.08 -0.14 3.82 1.01 -0.42 -4.60 120.40 120.44 1dqq s VAL 109 Ca 0.33 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1dqq s VAL 109 Cb -0.20 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1dqq s VAL 109 CO 0.21 0.37 -0.07 -0.89 0.00 0.00 0.00 175.10 174.72 1dqq s THR 110 N 1.35 3.63 -0.34 3.92 2.01 0.08 -1.90 115.64 124.40 1dqq s THR 110 Ca -0.01 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.39 1dqq s THR 110 Cb -0.14 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 1dqq s THR 110 CO -0.04 0.51 0.31 -0.69 -0.69 0.00 0.00 174.62 174.02 1dqq s VAL 111 N 0.22 5.22 0.02 3.82 1.01 -1.26 -1.21 120.40 128.22 1dqq s VAL 111 Ca -0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 1dqq s VAL 111 Cb -0.14 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.54 1dqq s VAL 111 CO 0.04 -0.05 0.71 -0.55 0.00 0.00 0.00 175.10 175.24 1dqq s SER 112 N 1.73 -0.56 0.00 3.32 0.15 -0.64 -4.60 113.70 113.09 1dqq s SER 112 Ca 0.10 0.33 0.21 0.00 0.70 0.00 0.00 55.95 57.28 1dqq s SER 112 Cb -0.17 0.52 0.37 0.00 -1.71 0.00 0.00 66.02 65.03 1dqq s SER 112 CO 0.11 -0.72 1.32 -1.20 1.20 0.00 0.00 173.24 173.95 1dqq n SER 113 N 0.26 3.24 -4.73 5.45 7.64 -1.26 -4.03 113.62 120.19 1dqq n SER 113 Ca -0.16 -1.94 -0.33 0.00 1.01 0.00 0.00 58.87 57.46 1dqq n SER 113 Cb 0.61 -0.21 0.10 0.00 -1.01 0.00 0.00 64.21 63.69 1dqq n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dqq s ALA 114 N -1.39 2.09 0.17 -0.43 0.00 -1.26 -5.05 121.76 115.88 1dqq s ALA 114 Ca 0.34 0.64 0.10 0.00 0.00 0.00 0.00 51.96 53.04 1dqq s ALA 114 Cb 0.20 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1dqq s ALA 114 CO 0.28 -1.90 -0.19 -1.59 0.00 0.00 0.00 175.76 172.36 1dqq s LYS 115 N -4.28 1.71 -0.03 0.00 -2.85 -1.26 -5.05 119.74 107.98 1dqq s LYS 115 Ca 0.69 -1.37 -0.38 0.00 -1.00 0.00 0.00 55.97 53.91 1dqq s LYS 115 Cb -0.24 -1.99 -0.16 0.00 -2.06 0.00 0.00 37.83 33.38 1dqq s LYS 115 CO 0.49 0.43 1.48 2.41 0.10 0.00 0.00 175.35 180.26 1dqq n THR 116 N 0.37 0.10 -3.72 3.79 -1.04 -1.26 -4.68 114.28 107.85 1dqq n THR 116 Ca -0.13 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 61.72 1dqq n THR 116 Cb 0.55 -0.98 -0.15 0.00 -1.82 0.00 0.00 70.33 67.93 1dqq n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1dqq s THR 117 N 1.49 -0.13 0.45 12.58 2.01 0.68 -4.94 115.64 127.79 1dqq s THR 117 Ca 0.89 0.23 -0.24 0.00 0.31 0.00 0.00 61.69 62.88 1dqq s THR 117 Cb -0.98 -0.28 -0.07 0.00 0.01 0.00 0.00 72.50 71.18 1dqq s THR 117 CO 0.52 0.10 1.22 0.00 -0.69 0.00 0.00 174.62 175.77 1dqq s ALA 118 N 1.56 3.04 0.56 7.40 0.00 -1.26 -1.74 121.76 131.31 1dqq s ALA 118 Ca -0.05 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.81 1dqq s ALA 118 Cb -0.12 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 1dqq s ALA 118 CO -0.06 -0.76 1.01 -1.25 0.00 0.00 0.00 175.76 174.69 1dqq s PRO 119 N -2.57 3.76 -0.14 0.00 0.04 -1.26 -4.51 135.00 130.32 1dqq s PRO 119 Ca 0.62 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 1dqq s PRO 119 Cb -0.32 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1dqq s PRO 119 CO 0.40 -0.43 0.24 -1.12 0.04 0.00 0.00 177.00 176.13 1dqq s SER 120 N -3.38 6.43 -0.23 6.66 0.01 0.04 -4.92 113.70 118.32 1dqq s SER 120 Ca 0.58 0.51 -0.02 0.00 1.31 0.00 0.00 55.95 58.32 1dqq s SER 120 Cb -0.11 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1dqq s SER 120 CO 0.39 0.22 -0.07 -0.69 0.41 0.00 0.00 173.24 173.49 1dqq s VAL 121 N -0.10 2.99 -0.09 3.43 1.01 -1.26 -1.00 120.40 125.37 1dqq s VAL 121 Ca 0.15 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1dqq s VAL 121 Cb -0.13 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1dqq s VAL 121 CO 0.04 0.35 -0.13 -0.31 0.00 0.00 0.00 175.10 175.05 1dqq s TYR 122 N 1.39 2.79 0.24 5.22 2.02 0.50 -4.97 117.35 124.54 1dqq s TYR 122 Ca 0.03 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.06 1dqq s TYR 122 Cb -0.15 -1.75 -0.09 0.00 -0.40 0.00 0.00 41.96 39.57 1dqq s TYR 122 CO -0.05 0.00 0.94 -1.25 -1.57 0.00 0.00 175.55 173.62 1dqq s PRO 123 N -0.18 4.84 -0.35 -1.71 0.04 -1.26 -0.39 135.00 135.99 1dqq s PRO 123 Ca 0.00 1.47 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 1dqq s PRO 123 Cb -0.13 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.22 1dqq s PRO 123 CO 0.03 0.51 0.10 -0.51 0.04 0.00 0.00 177.00 177.17 1dqq s LEU 124 N -1.23 4.48 0.05 -3.56 1.43 0.96 -4.88 118.68 115.94 1dqq s LEU 124 Ca 0.41 -1.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.06 1dqq s LEU 124 Cb -0.26 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1dqq s LEU 124 CO 0.31 -0.38 -0.14 0.00 0.23 0.00 0.00 176.35 176.37 1dqq s ALA 125 N 1.26 1.18 0.66 4.21 0.00 -1.26 -0.77 121.76 127.04 1dqq s ALA 125 Ca 0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 1dqq s ALA 125 Cb -0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1dqq s ALA 125 CO -0.01 0.20 1.25 -1.25 0.00 0.00 0.00 175.76 175.95 1dqq s PRO 126 N -1.39 2.50 0.97 0.00 0.04 -1.26 -4.99 135.00 130.86 1dqq s PRO 126 Ca 0.00 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 1dqq s PRO 126 Cb -0.09 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.77 1dqq s PRO 126 CO 0.02 -1.60 1.09 0.14 0.04 0.00 0.00 177.00 176.68 1dqq s VAL 127 N -1.60 2.37 0.16 -0.36 -7.23 -1.26 -4.63 120.40 107.84 1dqq s VAL 127 Ca 0.79 0.12 -0.19 0.00 -1.81 0.00 0.00 61.98 60.90 1dqq s VAL 127 Cb -0.34 -2.38 -0.12 0.00 0.56 0.00 0.00 36.38 34.11 1dqq s VAL 127 CO 0.40 -0.16 0.32 0.00 -0.31 0.00 0.00 175.10 175.35 1dqq n GLY 129 N 1.41 1.85 2.42 0.00 0.00 -1.26 -4.80 105.19 104.81 1dqq n GLY 129 Ca 0.12 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1dqq n GLY 129 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dqq n ASP 130 N 2.40 -0.87 0.00 1.61 5.68 0.32 -4.85 116.55 120.85 1dqq n ASP 130 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1dqq n ASP 130 Cb 0.00 -0.82 0.00 0.00 -1.14 0.00 0.00 41.12 39.16 1dqq n ASP 130 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1dqq n THR 131 N -2.11 0.00 -3.78 2.12 5.66 -1.26 -4.74 114.28 110.17 1dqq n THR 131 Ca 0.03 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.96 1dqq n THR 131 Cb 0.33 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.09 1dqq n THR 131 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dqq s THR 132 N -2.00 0.00 0.00 1.09 -4.23 -1.26 -5.17 115.64 104.07 1dqq s THR 132 Ca 0.00 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1dqq s THR 132 Cb 0.00 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.98 1dqq s THR 132 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1dqq n GLY 133 N -0.45 0.04 0.00 3.99 0.00 -1.26 -4.62 105.19 102.90 1dqq n GLY 133 Ca -0.06 -1.76 0.13 0.00 0.00 0.00 0.00 46.02 44.33 1dqq n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dqq n SER 134 N -0.98 0.00 -4.05 1.61 3.41 -1.26 -4.67 113.62 107.68 1dqq n SER 134 Ca 0.00 -0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.14 1dqq n SER 134 Cb 0.00 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 63.69 1dqq n SER 134 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1dqq s SER 135 N -2.35 0.24 -0.15 4.04 1.04 -1.26 -1.96 113.70 113.30 1dqq s SER 135 Ca 0.31 -1.02 -0.12 0.00 0.48 0.00 0.00 55.95 55.60 1dqq s SER 135 Cb 0.18 0.33 0.04 0.00 0.10 0.00 0.00 66.02 66.67 1dqq s SER 135 CO 0.36 -0.76 0.38 0.54 0.98 0.00 0.00 173.24 174.74 1dqq s VAL 136 N -3.99 -0.01 -0.03 5.02 0.11 -0.32 -4.59 120.40 116.59 1dqq s VAL 136 Ca 0.17 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 1dqq s VAL 136 Cb 0.06 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 1dqq s VAL 136 CO -0.02 0.01 -0.07 0.42 -3.33 0.00 0.00 175.10 172.11 1dqq s THR 137 N 0.46 3.68 0.45 5.04 -4.23 -1.26 -1.60 115.64 118.17 1dqq s THR 137 Ca -0.02 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1dqq s THR 137 Cb -0.04 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.20 1dqq s THR 137 CO -0.02 0.50 0.01 -0.76 -0.54 0.00 0.00 174.62 173.81 1dqq s LEU 138 N -1.11 2.63 0.31 4.79 2.01 0.71 -4.74 118.68 123.29 1dqq s LEU 138 Ca 0.15 -1.49 -0.11 0.00 0.01 0.00 0.00 54.13 52.69 1dqq s LEU 138 Cb -0.11 -0.82 0.01 0.00 0.01 0.00 0.00 46.19 45.28 1dqq s LEU 138 CO 0.04 -0.62 0.58 -0.83 1.01 0.00 0.00 176.35 176.53 1dqq s GLY 139 N -3.78 0.74 -0.07 -3.19 0.00 0.05 -0.96 107.32 100.12 1dqq s GLY 139 Ca 0.23 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 43.92 1dqq s GLY 139 CO 0.12 -0.62 0.14 0.00 0.00 0.00 0.00 173.10 172.74 1dqq s LEU 141 N 1.49 3.14 -0.28 0.00 2.96 0.48 -1.36 118.68 125.10 1dqq s LEU 141 Ca -0.06 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 1dqq s LEU 141 Cb -0.12 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.76 1dqq s LEU 141 CO -0.06 -0.01 0.07 -0.69 -1.32 0.00 0.00 176.35 174.34 1dqq s VAL 142 N 1.42 3.92 0.05 1.68 1.01 0.18 -0.37 120.40 128.28 1dqq s VAL 142 Ca 0.05 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1dqq s VAL 142 Cb -0.15 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1dqq s VAL 142 CO 0.00 0.13 -0.14 -0.75 0.00 0.00 0.00 175.10 174.34 1dqq s LYS 143 N 1.50 0.90 -0.75 2.72 2.20 -0.17 -0.24 119.74 125.90 1dqq s LYS 143 Ca 0.03 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 54.79 1dqq s LYS 143 Cb -0.17 -0.91 0.00 0.00 -1.51 0.00 0.00 37.83 35.24 1dqq s LYS 143 CO 0.02 0.22 0.28 0.41 -0.36 0.00 0.00 175.35 175.91 1dqq n GLY 144 N 1.68 0.10 3.80 5.54 0.00 -0.64 -0.78 105.19 114.89 1dqq n GLY 144 Ca -0.19 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 1dqq n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1dqq s TYR 145 N -2.82 2.84 -0.28 1.61 1.13 -1.08 -4.53 117.35 114.21 1dqq s TYR 145 Ca 0.14 -0.32 -0.23 0.00 -1.41 0.00 0.00 57.07 55.25 1dqq s TYR 145 Cb -0.06 -1.69 0.13 0.00 -1.10 0.00 0.00 41.96 39.24 1dqq s TYR 145 CO 0.17 0.28 1.05 0.12 -2.51 0.00 0.00 175.55 174.66 1dqq s PHE 146 N -2.34 -0.47 0.20 -3.49 5.36 -0.71 -0.69 117.98 115.84 1dqq s PHE 146 Ca 0.39 1.10 -0.00 0.00 -0.96 0.00 0.00 56.93 57.45 1dqq s PHE 146 Cb -0.05 0.37 0.04 0.00 -0.34 0.00 0.00 43.02 43.04 1dqq s PHE 146 CO 0.25 -0.23 0.28 -0.35 -1.46 0.00 0.00 175.22 173.71 1dqq n PRO 147 N 2.45 0.41 -1.72 10.12 -0.04 -1.26 -0.23 135.00 144.72 1dqq n PRO 147 Ca -0.13 -0.74 -0.31 0.00 -0.04 0.00 0.00 63.50 62.27 1dqq n PRO 147 Cb 0.56 -0.19 0.03 0.00 -0.04 0.00 0.00 33.50 33.87 1dqq n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1dqq s GLU 148 N -3.14 3.25 0.29 0.54 2.02 -1.26 -4.77 118.70 115.63 1dqq s GLU 148 Ca 0.18 0.85 0.02 0.00 0.02 0.00 0.00 54.97 56.04 1dqq s GLU 148 Cb -0.01 -2.03 0.02 0.00 0.10 0.00 0.00 34.13 32.21 1dqq s GLU 148 CO 0.12 -0.85 0.17 -0.35 0.02 0.00 0.00 175.26 174.37 1dqq n PRO 149 N -2.95 1.11 -4.19 0.39 -0.04 -1.26 -5.00 135.00 123.07 1dqq n PRO 149 Ca 0.07 -1.91 -0.18 0.00 -0.04 0.00 0.00 63.50 61.43 1dqq n PRO 149 Cb 0.54 0.28 -0.12 0.00 -0.04 0.00 0.00 33.50 34.16 1dqq n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1dqq s VAL 150 N -1.61 1.10 -0.14 0.52 -7.23 -1.26 -4.48 120.40 107.30 1dqq s VAL 150 Ca 0.13 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 1dqq s VAL 150 Cb -0.01 -1.05 -0.00 0.00 0.56 0.00 0.00 36.38 35.88 1dqq s VAL 150 CO 0.08 -0.20 -0.16 0.42 -0.31 0.00 0.00 175.10 174.93 1dqq s THR 151 N -1.22 2.61 -0.04 5.32 -4.23 0.01 -4.95 115.64 113.14 1dqq s THR 151 Ca -0.02 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1dqq s THR 151 Cb -0.10 -2.09 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1dqq s THR 151 CO 0.02 0.52 -0.25 -0.22 -0.54 0.00 0.00 174.62 174.15 1dqq s LEU 152 N 0.68 2.06 0.22 4.79 0.20 -1.26 -0.83 118.68 124.53 1dqq s LEU 152 Ca -0.08 -0.49 -0.00 0.00 0.69 0.00 0.00 54.13 54.25 1dqq s LEU 152 Cb -0.16 -1.35 -0.04 0.00 -0.43 0.00 0.00 46.19 44.21 1dqq s LEU 152 CO 0.02 0.28 0.14 0.42 -0.29 0.00 0.00 176.35 176.92 1dqq s THR 154 N -0.38 0.06 -0.09 3.68 -4.23 -0.63 -4.99 115.64 109.06 1dqq s THR 154 Ca 0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1dqq s THR 154 Cb -0.12 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.21 1dqq s THR 154 CO 0.01 0.00 -0.19 0.26 -0.54 0.00 0.00 174.62 174.16 1dqq s TRP 155 N -4.06 2.15 -1.53 3.99 0.52 -1.26 -1.22 118.94 117.54 1dqq s TRP 155 Ca 0.39 -0.90 -0.13 0.00 0.02 0.00 0.00 56.10 55.47 1dqq s TRP 155 Cb 0.07 -1.48 0.08 0.00 -1.15 0.00 0.00 33.47 30.99 1dqq s TRP 155 CO 0.13 -0.40 0.98 0.09 0.02 0.00 0.00 176.95 177.77 1dqq n ASN 160 N 3.76 -4.73 -1.96 2.95 3.02 0.55 -0.77 115.26 118.09 1dqq n ASN 160 Ca -0.20 -0.78 -0.19 0.00 -0.03 0.00 0.00 54.58 53.38 1dqq n ASN 160 Cb 0.52 -3.90 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 1dqq n ASN 160 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1dqq n SER 161 N -2.84 -5.47 0.00 6.41 7.64 -1.26 -2.37 113.62 115.73 1dqq n SER 161 Ca 0.03 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1dqq n SER 161 Cb 0.53 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.16 1dqq n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dqq n GLY 162 N -0.88 2.07 0.30 0.23 0.00 0.05 -4.92 105.19 102.04 1dqq n GLY 162 Ca -0.22 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.00 1dqq n GLY 162 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dqq h SER 163 N 0.00 0.00 -3.48 1.61 4.64 -1.41 -3.36 113.55 111.56 1dqq h SER 163 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 1dqq h SER 163 Cb 0.00 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.79 1dqq h SER 163 CO 0.00 0.00 -0.50 -0.22 -0.87 0.00 0.00 176.83 175.24 1dqq s LEU 164 N -6.19 5.10 0.00 5.97 2.96 -1.03 -4.88 118.68 120.61 1dqq s LEU 164 Ca -0.01 -1.66 0.00 0.00 -0.22 0.00 0.00 54.13 52.24 1dqq s LEU 164 Cb 0.10 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1dqq s LEU 164 CO 0.50 -0.53 0.00 -1.54 -1.32 0.00 0.00 176.35 173.46 1dqq n SER 165 N 4.80 4.74 -4.80 3.68 3.41 -1.26 -4.20 113.62 120.00 1dqq n SER 165 Ca -0.08 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.20 1dqq n SER 165 Cb 0.42 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 1dqq n SER 165 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1dqq s SER 166 N -2.63 5.85 -1.54 4.04 0.01 -1.26 -3.75 113.70 114.43 1dqq s SER 166 Ca 0.00 1.85 -0.04 0.00 1.31 0.00 0.00 55.95 59.07 1dqq s SER 166 Cb 0.00 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.70 1dqq s SER 166 CO 0.00 -1.12 0.47 0.61 0.41 0.00 0.00 173.24 173.62 1dqq n GLY 167 N -0.80 -0.52 3.51 3.44 0.00 -1.26 -4.68 105.19 104.89 1dqq n GLY 167 Ca 0.09 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 1dqq n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dqq s VAL 169 N -3.10 3.30 -0.20 1.61 1.01 -1.25 -1.26 120.40 120.52 1dqq s VAL 169 Ca 0.26 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1dqq s VAL 169 Cb -0.12 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 34.00 1dqq s VAL 169 CO 0.32 0.59 0.03 -1.00 0.00 0.00 0.00 175.10 175.03 1dqq s HIS 170 N -0.72 1.15 -0.23 5.22 3.76 -0.18 -4.99 115.29 119.30 1dqq s HIS 170 Ca 0.11 -0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 54.04 1dqq s HIS 170 Cb -0.11 -1.08 -0.01 0.00 1.11 0.00 0.00 32.58 32.49 1dqq s HIS 170 CO 0.01 -0.62 -0.01 0.99 -0.85 0.00 0.00 174.74 174.25 1dqq s THR 171 N 1.82 3.60 0.32 1.30 2.01 -1.26 -0.34 115.64 123.08 1dqq s THR 171 Ca -0.01 -0.42 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 1dqq s THR 171 Cb -0.17 -2.66 -0.07 0.00 0.01 0.00 0.00 72.50 69.61 1dqq s THR 171 CO -0.08 0.40 0.66 -0.36 -0.69 0.00 0.00 174.62 174.55 1dqq s PHE 172 N 1.51 3.44 0.50 4.92 0.40 -0.31 -5.01 117.98 123.43 1dqq s PHE 172 Ca 0.06 0.95 -0.23 0.00 -0.60 0.00 0.00 56.93 57.11 1dqq s PHE 172 Cb -0.14 -2.34 -0.06 0.00 0.51 0.00 0.00 43.02 40.98 1dqq s PHE 172 CO -0.02 0.09 1.37 -2.14 0.70 0.00 0.00 175.22 175.22 1dqq s PRO 173 N -3.35 3.39 0.56 0.24 0.02 -1.26 -4.36 135.00 130.25 1dqq s PRO 173 Ca 0.49 2.26 -0.18 0.00 0.02 0.00 0.00 61.00 63.59 1dqq s PRO 173 Cb -0.11 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 31.95 1dqq s PRO 173 CO 0.26 -1.00 1.10 0.00 -0.33 0.00 0.00 177.00 177.02 1dqq s ALA 174 N -1.28 2.69 0.08 -1.55 0.00 -1.26 -4.81 121.76 115.63 1dqq s ALA 174 Ca 0.67 0.65 0.04 0.00 0.00 0.00 0.00 51.96 53.32 1dqq s ALA 174 Cb -0.41 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1dqq s ALA 174 CO 0.50 -0.79 -0.10 0.14 0.00 0.00 0.00 175.76 175.51 1dqq s VAL 175 N -2.04 0.88 -0.10 0.00 -7.23 -0.45 -4.93 120.40 106.52 1dqq s VAL 175 Ca 0.69 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 1dqq s VAL 175 Cb -0.20 -1.16 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 1dqq s VAL 175 CO 0.30 -0.47 1.03 -0.76 -0.31 0.00 0.00 175.10 174.89 1dqq s LEU 176 N -2.15 4.24 -0.08 1.32 1.43 -1.26 -1.36 118.68 120.81 1dqq s LEU 176 Ca 0.01 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 54.64 1dqq s LEU 176 Cb -0.05 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.65 1dqq s LEU 176 CO 0.00 -0.48 0.09 -1.58 0.23 0.00 0.00 176.35 174.62 1dqq s GLN 177 N 2.10 -0.01 -1.25 1.70 0.74 0.15 -4.83 119.66 118.25 1dqq s GLN 177 Ca 0.49 0.31 -0.08 0.00 0.05 0.00 0.00 55.36 56.13 1dqq s GLN 177 Cb -0.19 -0.77 0.01 0.00 1.10 0.00 0.00 33.01 33.16 1dqq s GLN 177 CO 0.18 -0.41 1.10 0.43 -0.55 0.00 0.00 175.29 176.03 1dqq n SER 178 N 5.30 -5.97 -1.54 6.67 7.64 -1.26 -1.85 113.62 122.61 1dqq n SER 178 Ca -0.04 -0.50 -0.19 0.00 1.01 0.00 0.00 58.87 59.15 1dqq n SER 178 Cb 0.50 -4.70 -0.08 0.00 -1.01 0.00 0.00 64.21 58.91 1dqq n SER 178 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1dqq n ASP 181 N -2.69 -5.07 -4.28 6.43 8.00 -1.26 -4.95 116.55 112.74 1dqq n ASP 181 Ca 0.00 0.47 -0.15 0.00 0.71 0.00 0.00 54.79 55.82 1dqq n ASP 181 Cb 0.56 -4.50 -0.10 0.00 -0.02 0.00 0.00 41.12 37.06 1dqq n ASP 181 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dqq s LEU 182 N -4.50 1.96 0.10 0.64 1.43 -0.77 -4.79 118.68 112.75 1dqq s LEU 182 Ca 0.00 -1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 51.78 1dqq s LEU 182 Cb 0.00 -0.05 -0.06 0.00 0.03 0.00 0.00 46.19 46.11 1dqq s LEU 182 CO 0.00 -0.61 0.37 -0.31 0.23 0.00 0.00 176.35 176.03 1dqq s TYR 183 N -3.66 3.52 -0.03 0.29 2.02 0.13 0.33 117.35 119.96 1dqq s TYR 183 Ca 0.29 0.65 0.01 0.00 -0.37 0.00 0.00 57.07 57.65 1dqq s TYR 183 Cb 0.07 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1dqq s TYR 183 CO 0.08 0.48 -0.05 0.99 -1.57 0.00 0.00 175.55 175.48 1dqq s THR 184 N -1.52 0.51 0.03 -0.71 2.01 -0.46 -1.63 115.64 113.87 1dqq s THR 184 Ca 0.37 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1dqq s THR 184 Cb -0.13 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 1dqq s THR 184 CO 0.21 0.19 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.06 1dqq s LEU 185 N 0.48 2.26 0.06 4.42 0.20 0.66 -1.34 118.68 125.42 1dqq s LEU 185 Ca -0.06 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.21 1dqq s LEU 185 Cb -0.10 0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.64 1dqq s LEU 185 CO -0.00 -0.29 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.18 1dqq s SER 186 N -1.61 0.66 -0.08 3.68 0.15 -1.26 0.47 113.70 115.70 1dqq s SER 186 Ca -0.12 -0.84 -0.07 0.00 0.70 0.00 0.00 55.95 55.62 1dqq s SER 186 Cb -0.09 0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 1dqq s SER 186 CO -0.01 -0.45 0.21 -0.55 1.20 0.00 0.00 173.24 173.64 1dqq s SER 187 N -2.47 -0.22 0.13 5.45 0.15 -0.47 -1.16 113.70 115.11 1dqq s SER 187 Ca 0.01 0.42 0.10 0.00 0.70 0.00 0.00 55.95 57.19 1dqq s SER 187 Cb 0.01 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1dqq s SER 187 CO -0.05 -0.07 -0.23 -0.94 1.20 0.00 0.00 173.24 173.14 1dqq s SER 188 N 0.12 3.55 -0.01 5.45 1.04 0.53 -0.65 113.70 123.73 1dqq s SER 188 Ca -0.00 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.75 1dqq s SER 188 Cb -0.02 -0.35 0.01 0.00 0.10 0.00 0.00 66.02 65.77 1dqq s SER 188 CO 0.00 0.17 -0.01 0.54 0.98 0.00 0.00 173.24 174.92 1dqq s VAL 189 N -1.14 0.16 -0.10 5.02 0.11 -0.13 -1.01 120.40 123.31 1dqq s VAL 189 Ca 0.16 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.22 1dqq s VAL 189 Cb -0.10 -0.18 -0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1dqq s VAL 189 CO 0.08 0.08 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.80 1dqq s THR 190 N 0.31 2.14 0.25 5.04 2.01 -0.39 -0.21 115.64 124.79 1dqq s THR 190 Ca -0.03 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.98 1dqq s THR 190 Cb -0.05 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1dqq s THR 190 CO -0.01 0.56 0.12 0.68 -0.69 0.00 0.00 174.62 175.28 1dqq s VAL 191 N 0.27 0.35 0.15 3.82 -7.23 -0.63 -4.68 120.40 112.45 1dqq s VAL 191 Ca -0.16 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.69 1dqq s VAL 191 Cb -0.17 -2.58 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 1dqq s VAL 191 CO 0.08 0.00 1.51 0.42 -0.31 0.00 0.00 175.10 176.80 1dqq s THR 192 N -3.87 2.84 0.28 5.32 -4.23 -1.26 -1.18 115.64 113.54 1dqq s THR 192 Ca 0.38 0.60 0.02 0.00 -1.18 0.00 0.00 61.69 61.51 1dqq s THR 192 Cb 0.07 -3.39 0.27 0.00 1.34 0.00 0.00 72.50 70.79 1dqq s THR 192 CO 0.14 0.05 1.72 0.77 -0.54 0.00 0.00 174.62 176.75 1dqq h SER 193 N 6.76 0.38 -0.13 3.99 4.64 -1.64 -1.81 113.55 125.73 1dqq h SER 193 Ca -0.42 0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1dqq h SER 193 Cb 1.21 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1dqq h SER 193 CO 0.90 0.07 0.16 0.77 -0.87 0.00 0.00 176.83 177.86 1dqq h SER 194 N 0.47 0.00 0.02 4.97 4.64 -1.90 -2.40 113.55 119.34 1dqq h SER 194 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1dqq h SER 194 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1dqq h SER 194 CO -0.47 0.00 -0.04 0.35 -0.87 0.00 0.00 176.83 175.80 1dqq n THR 196 N -3.73 0.00 -4.78 2.95 -2.24 -0.68 -4.65 114.28 101.15 1dqq n THR 196 Ca 0.00 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 1dqq n THR 196 Cb 0.27 0.47 -0.16 0.00 -2.10 0.00 0.00 70.33 68.81 1dqq n THR 196 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1dqq s TRP 197 N -2.07 1.67 -2.11 4.78 -0.00 -0.91 0.12 118.94 120.42 1dqq s TRP 197 Ca 0.36 -0.54 0.15 0.00 -0.00 0.00 0.00 56.10 56.08 1dqq s TRP 197 Cb 0.21 -1.15 0.65 0.00 -0.00 0.00 0.00 33.47 33.17 1dqq s TRP 197 CO 0.36 -0.21 1.46 -0.35 -0.00 0.00 0.00 176.95 178.20 1dqq n PRO 198 N 3.37 1.47 -0.32 5.86 -0.04 -1.26 -4.93 135.00 139.15 1dqq n PRO 198 Ca -0.19 -0.72 0.16 0.00 -0.04 0.00 0.00 63.50 62.70 1dqq n PRO 198 Cb 0.53 -1.29 0.39 0.00 -0.04 0.00 0.00 33.50 33.09 1dqq n PRO 198 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1dqq h SER 200 N 1.34 0.65 -3.78 3.54 4.64 -1.81 -3.17 113.55 114.96 1dqq h SER 200 Ca 0.00 0.08 -0.69 0.00 -0.47 0.00 0.00 61.79 60.71 1dqq h SER 200 Cb 0.30 -0.04 -0.35 0.00 -0.31 0.00 0.00 62.40 62.00 1dqq h SER 200 CO 0.00 0.23 -0.47 -1.10 -0.87 0.00 0.00 176.83 174.62 1dqq s GLN 201 N -5.70 2.24 0.60 4.77 -0.21 0.32 -5.08 119.66 116.59 1dqq s GLN 201 Ca -0.10 -2.14 -0.18 0.00 0.02 0.00 0.00 55.36 52.96 1dqq s GLN 201 Cb 0.24 -3.64 -0.09 0.00 1.00 0.00 0.00 33.01 30.53 1dqq s GLN 201 CO 0.80 -1.12 0.44 -1.13 -2.12 0.00 0.00 175.29 172.16 1dqq n SER 202 N 4.10 -1.39 -3.99 5.90 3.41 -1.20 -4.59 113.62 115.86 1dqq n SER 202 Ca 0.02 0.70 -0.22 0.00 -0.26 0.00 0.00 58.87 59.11 1dqq n SER 202 Cb 0.40 -1.14 -0.16 0.00 -0.26 0.00 0.00 64.21 63.04 1dqq n SER 202 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1dqq s ILE 203 N -1.78 0.85 -0.02 -1.33 1.01 -1.26 -5.00 121.20 113.67 1dqq s ILE 203 Ca 0.67 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.99 1dqq s ILE 203 Cb -0.43 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.26 1dqq s ILE 203 CO 0.56 0.28 -0.07 -0.89 0.00 0.00 0.00 174.94 174.82 1dqq s THR 204 N 0.52 0.65 -0.07 2.92 2.01 -1.26 -1.18 115.64 119.22 1dqq s THR 204 Ca -0.09 -0.29 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1dqq s THR 204 Cb -0.13 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 1dqq s THR 204 CO 0.02 0.21 0.53 0.00 -0.69 0.00 0.00 174.62 174.69 1dqq s ASN 207 N 0.28 3.17 -0.13 0.00 -0.87 -0.35 -0.66 114.94 116.37 1dqq s ASN 207 Ca 0.29 -0.58 -0.00 0.00 -1.57 0.00 0.00 52.86 51.00 1dqq s ASN 207 Cb -0.16 -1.45 0.02 0.00 -0.02 0.00 0.00 41.25 39.64 1dqq s ASN 207 CO 0.13 0.10 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.97 1dqq s VAL 208 N 0.69 1.32 -0.07 1.60 1.01 0.33 -1.60 120.40 123.68 1dqq s VAL 208 Ca -0.10 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1dqq s VAL 208 Cb -0.16 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1dqq s VAL 208 CO 0.01 0.41 -0.07 0.00 0.00 0.00 0.00 175.10 175.44 1dqq s ALA 209 N 1.59 2.96 -0.43 5.51 0.00 -0.01 -0.40 121.76 130.97 1dqq s ALA 209 Ca 0.05 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.14 1dqq s ALA 209 Cb -0.13 -1.23 0.14 0.00 0.00 0.00 0.00 23.12 21.91 1dqq s ALA 209 CO -0.10 0.55 0.26 -1.58 0.00 0.00 0.00 175.76 174.90 1dqq s HIS 210 N -0.72 1.64 0.28 0.00 2.46 -0.05 -0.81 115.29 118.07 1dqq s HIS 210 Ca 0.11 -2.26 -0.01 0.00 0.47 0.00 0.00 55.06 53.37 1dqq s HIS 210 Cb -0.11 -1.55 0.62 0.00 -0.13 0.00 0.00 32.58 31.41 1dqq s HIS 210 CO 0.02 -0.78 1.63 -1.35 -2.47 0.00 0.00 174.74 171.79 1dqq h PRO 211 N 6.56 0.15 -0.77 2.88 0.11 -1.79 -2.03 132.00 137.11 1dqq h PRO 211 Ca 0.06 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.32 1dqq h PRO 211 Cb 0.92 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 31.90 1dqq h PRO 211 CO 0.43 0.10 0.29 0.00 -0.21 0.00 0.00 178.00 178.60 1dqq h ALA 212 N 1.78 1.08 -0.53 -0.75 0.00 -1.92 -0.81 119.26 118.11 1dqq h ALA 212 Ca 0.51 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1dqq h ALA 212 Cb 0.99 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1dqq h ALA 212 CO -0.69 -0.25 0.00 -1.13 0.00 0.00 0.00 179.25 177.18 1dqq n SER 213 N -5.04 3.46 -3.73 0.00 3.41 -0.82 -4.96 113.62 105.95 1dqq n SER 213 Ca 0.15 -1.98 -0.27 0.00 -0.26 0.00 0.00 58.87 56.51 1dqq n SER 213 Cb 0.45 -0.35 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 1dqq n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1dqq n SER 214 N 1.43 -5.57 -4.37 4.04 7.64 -0.31 -4.97 113.62 111.51 1dqq n SER 214 Ca 0.21 -0.64 -0.21 0.00 1.01 0.00 0.00 58.87 59.23 1dqq n SER 214 Cb 0.57 -4.42 -0.11 0.00 -1.01 0.00 0.00 64.21 59.25 1dqq n SER 214 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1dqq s THR 215 N -3.29 1.95 -0.10 0.44 -4.23 -1.12 -5.02 115.64 104.26 1dqq s THR 215 Ca 0.61 -2.11 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 1dqq s THR 215 Cb -0.29 -2.01 0.04 0.00 1.34 0.00 0.00 72.50 71.58 1dqq s THR 215 CO 0.76 -0.41 0.25 -0.75 -0.54 0.00 0.00 174.62 173.93 1dqq s LYS 216 N -3.18 0.24 -0.03 3.99 2.36 -1.26 -0.87 119.74 120.99 1dqq s LYS 216 Ca 0.21 0.46 0.04 0.00 -2.55 0.00 0.00 55.97 54.13 1dqq s LYS 216 Cb -0.04 -0.02 -0.00 0.00 -1.05 0.00 0.00 37.83 36.71 1dqq s LYS 216 CO 0.08 -0.11 -0.14 0.08 1.55 0.00 0.00 175.35 176.81 1dqq s VAL 217 N 0.84 1.15 -0.14 4.02 1.01 0.47 -4.96 120.40 122.78 1dqq s VAL 217 Ca -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1dqq s VAL 217 Cb -0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1dqq s VAL 217 CO -0.05 0.33 -0.14 -1.81 0.00 0.00 0.00 175.10 173.43 1dqq s ASP 218 N -0.07 3.84 -0.23 3.32 -0.00 -1.26 -0.51 116.67 121.75 1dqq s ASP 218 Ca 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 52.55 52.15 1dqq s ASP 218 Cb -0.08 -1.59 0.06 0.00 -0.00 0.00 0.00 42.92 41.31 1dqq s ASP 218 CO 0.01 0.12 -0.03 -0.54 -0.00 0.00 0.00 175.17 174.73 1dqq s LYS 219 N 0.60 1.45 0.25 8.23 -0.14 0.17 -4.97 119.74 125.33 1dqq s LYS 219 Ca -0.08 -0.94 -0.30 0.00 -1.36 0.00 0.00 55.97 53.30 1dqq s LYS 219 Cb -0.16 -2.52 -0.09 0.00 -1.68 0.00 0.00 37.83 33.39 1dqq s LYS 219 CO 0.03 -0.63 1.17 0.21 -0.76 0.00 0.00 175.35 175.37 1dqq s LYS 220 N 1.45 4.54 0.00 1.68 2.20 -1.26 -1.15 119.74 127.20 1dqq s LYS 220 Ca -0.04 1.90 0.29 0.00 -0.36 0.00 0.00 55.97 57.76 1dqq s LYS 220 Cb -0.19 -3.19 1.36 0.00 -1.51 0.00 0.00 37.83 34.31 1dqq s LYS 220 CO -0.07 0.03 1.92 -0.89 -0.36 0.00 0.00 175.35 175.98