#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsc s VAL 2 N 0.00 3.53 -0.01 -0.39 1.01 -1.26 -4.03 120.40 119.25 2qsc s VAL 2 Ca 0.00 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 62.47 2qsc s VAL 2 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.98 2qsc s VAL 2 CO 0.00 -0.07 0.33 -1.58 0.00 0.00 0.00 175.10 173.78 2qsc s GLN 3 N 4.15 0.70 -0.07 2.72 0.74 0.49 -5.01 119.66 123.38 2qsc s GLN 3 Ca 0.75 -0.19 -0.00 0.00 0.05 0.00 0.00 55.36 55.97 2qsc s GLN 3 Cb -0.34 0.31 0.02 0.00 1.10 0.00 0.00 33.01 34.11 2qsc s GLN 3 CO 0.31 -0.20 -0.04 -0.51 -0.55 0.00 0.00 175.29 174.29 2qsc s LEU 4 N -1.38 1.06 -0.10 3.68 1.43 -1.26 -1.24 118.68 120.88 2qsc s LEU 4 Ca -0.13 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2qsc s LEU 4 Cb -0.05 -0.57 -0.00 0.00 0.03 0.00 0.00 46.19 45.60 2qsc s LEU 4 CO 0.04 -0.11 -0.23 -0.69 0.23 0.00 0.00 176.35 175.59 2qsc s VAL 5 N 1.44 2.19 0.07 -1.59 1.01 -0.48 -3.81 120.40 119.24 2qsc s VAL 5 Ca -0.02 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.02 2qsc s VAL 5 Cb -0.13 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2qsc s VAL 5 CO -0.03 0.56 -0.03 -1.10 0.00 0.00 0.00 175.10 174.49 2qsc s GLN 6 N 0.23 2.48 0.19 2.72 -0.21 -1.26 -0.42 119.66 123.39 2qsc s GLN 6 Ca -0.15 -0.84 -0.05 0.00 0.02 0.00 0.00 55.36 54.35 2qsc s GLN 6 Cb -0.17 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 2qsc s GLN 6 CO 0.08 0.55 0.21 -1.12 -2.12 0.00 0.00 175.29 172.88 2qsc s SER 7 N -2.10 0.11 0.00 5.90 0.01 -0.06 -4.88 113.70 112.69 2qsc s SER 7 Ca 0.23 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2qsc s SER 7 Cb -0.11 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2qsc s SER 7 CO 0.15 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2qsc n GLY 8 N -0.25 0.23 3.73 3.44 0.00 -1.26 -2.12 105.19 108.96 2qsc n GLY 8 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2qsc n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qsc s GLY 9 N -1.57 1.84 0.00 -0.02 0.00 -1.26 -4.74 107.32 101.57 2qsc s GLY 9 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.22 2qsc s GLY 9 CO 0.00 0.88 0.00 0.61 0.00 0.00 0.00 173.10 174.59 2qsc n GLY 10 N -0.42 -0.37 3.78 0.20 0.00 -0.79 -4.72 105.19 102.86 2qsc n GLY 10 Ca 0.11 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2qsc n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qsc s LEU 11 N 0.00 4.29 0.03 0.99 2.96 -1.26 -1.16 118.68 124.52 2qsc s LEU 11 Ca 0.00 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 2qsc s LEU 11 Cb 0.00 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 2qsc s LEU 11 CO 0.00 0.24 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.45 2qsc s VAL 12 N -0.11 0.99 0.51 1.68 1.01 -0.37 -4.99 120.40 119.12 2qsc s VAL 12 Ca 0.13 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 2qsc s VAL 12 Cb -0.12 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 2qsc s VAL 12 CO 0.02 0.01 1.13 -1.10 0.00 0.00 0.00 175.10 175.16 2qsc s GLN 13 N -1.01 3.52 0.02 2.72 -1.52 -1.25 -1.32 119.66 120.82 2qsc s GLN 13 Ca 0.01 1.64 -0.30 0.00 -1.95 0.00 0.00 55.36 54.76 2qsc s GLN 13 Cb -0.07 -2.14 -0.09 0.00 -0.22 0.00 0.00 33.01 30.49 2qsc s GLN 13 CO 0.01 -0.72 1.98 -2.14 -0.25 0.00 0.00 175.29 174.17 2qsc s PRO 14 N -3.09 4.06 0.00 2.91 0.02 -1.26 -1.18 135.00 136.47 2qsc s PRO 14 Ca 0.69 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.28 2qsc s PRO 14 Cb -0.25 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.09 2qsc s PRO 14 CO 0.29 -1.04 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 2qsc n GLY 15 N 4.63 0.90 3.44 0.52 0.00 -0.57 -4.88 105.19 109.23 2qsc n GLY 15 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2qsc n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qsc n GLY 16 N -2.00 -1.90 3.49 -0.02 0.00 -0.32 -3.40 105.19 101.04 2qsc n GLY 16 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 2qsc n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qsc s SER 17 N -5.06 3.90 -0.15 1.61 0.01 -1.26 -3.21 113.70 109.55 2qsc s SER 17 Ca 0.68 -0.57 -0.16 0.00 1.31 0.00 0.00 55.95 57.22 2qsc s SER 17 Cb -0.03 -0.55 0.04 0.00 0.21 0.00 0.00 66.02 65.69 2qsc s SER 17 CO 0.49 0.17 0.43 -0.22 0.41 0.00 0.00 173.24 174.52 2qsc s LEU 18 N -2.20 0.36 -0.17 2.44 2.96 -0.52 -4.99 118.68 116.56 2qsc s LEU 18 Ca 0.18 0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 54.86 2qsc s LEU 18 Cb -0.10 1.50 -0.02 0.00 0.50 0.00 0.00 46.19 48.07 2qsc s LEU 18 CO 0.10 -0.19 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.27 2qsc s ARG 19 N 0.04 3.47 -0.11 1.98 3.52 -1.26 -0.57 118.95 126.02 2qsc s ARG 19 Ca -0.02 -0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 54.92 2qsc s ARG 19 Cb -0.03 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 2qsc s ARG 19 CO 0.01 0.06 0.10 -0.51 -0.81 0.00 0.00 175.30 174.15 2qsc s LEU 20 N 0.80 4.17 0.04 -0.88 1.43 0.39 -4.58 118.68 120.06 2qsc s LEU 20 Ca -0.02 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.54 2qsc s LEU 20 Cb -0.15 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 2qsc s LEU 20 CO 0.01 0.40 -0.24 -0.94 0.23 0.00 0.00 176.35 175.81 2qsc s SER 21 N -1.03 2.86 -0.21 2.29 1.04 -0.90 -0.62 113.70 117.13 2qsc s SER 21 Ca 0.15 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 2qsc s SER 21 Cb -0.12 -0.26 0.06 0.00 0.10 0.00 0.00 66.02 65.80 2qsc s SER 21 CO 0.04 0.22 -0.01 0.00 0.98 0.00 0.00 173.24 174.47 2qsc s ALA 23 N 1.64 3.68 -0.14 0.00 0.00 0.44 -0.22 121.76 127.16 2qsc s ALA 23 Ca -0.03 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 2qsc s ALA 23 Cb -0.18 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2qsc s ALA 23 CO -0.07 0.40 0.02 0.00 0.00 0.00 0.00 175.76 176.11 2qsc s ALA 24 N -0.72 3.29 -0.01 0.00 0.00 -0.68 -1.38 121.76 122.27 2qsc s ALA 24 Ca 0.22 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2qsc s ALA 24 Cb -0.16 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 2qsc s ALA 24 CO 0.11 0.34 -0.11 -0.06 0.00 0.00 0.00 175.76 176.03 2qsc s PHE 25 N -0.09 1.01 0.00 0.00 0.08 -0.38 -4.86 117.98 113.75 2qsc s PHE 25 Ca 0.05 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.90 2qsc s PHE 25 Cb -0.12 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.67 2qsc s PHE 25 CO 0.02 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 2qsc n GLY 26 N 2.84 1.06 3.32 4.36 0.00 -1.26 -0.38 105.19 115.13 2qsc n GLY 26 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2qsc n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qsc s PHE 27 N -3.00 1.01 -1.27 1.61 -0.71 -1.26 -4.42 117.98 109.95 2qsc s PHE 27 Ca 0.00 -1.24 -0.15 0.00 -1.04 0.00 0.00 56.93 54.50 2qsc s PHE 27 Cb 0.00 -0.36 0.12 0.00 -1.21 0.00 0.00 43.02 41.57 2qsc s PHE 27 CO 0.00 -0.78 1.63 -1.71 -1.34 0.00 0.00 175.22 173.02 2qsc n ASN 28 N -0.48 5.03 -0.31 1.98 2.85 -1.26 -4.88 115.26 118.19 2qsc n ASN 28 Ca 0.02 -2.95 0.16 0.00 -0.11 0.00 0.00 54.58 51.69 2qsc n ASN 28 Cb 0.64 -1.65 0.33 0.00 1.24 0.00 0.00 39.78 40.34 2qsc n ASN 28 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2qsc h PHE 29 N 7.21 0.46 0.00 1.20 3.57 -1.95 -1.95 116.94 125.49 2qsc h PHE 29 Ca 0.39 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 2qsc h PHE 29 Cb 0.85 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 2qsc h PHE 29 CO 1.27 -0.22 -0.00 0.77 -2.23 0.00 0.00 178.31 177.91 2qsc h SER 30 N 0.22 0.00 1.77 0.41 0.02 -1.89 -2.38 113.55 111.69 2qsc h SER 30 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 2qsc h SER 30 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2qsc h SER 30 CO -0.66 0.00 -0.15 0.28 -1.14 0.00 0.00 176.83 175.16 2qsc h SER 31 N 0.00 0.00 -3.32 3.07 0.02 -1.67 -3.42 113.55 108.24 2qsc h SER 31 Ca -0.00 -0.01 -0.66 0.00 -0.84 0.00 0.00 61.79 60.28 2qsc h SER 31 Cb 0.17 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.58 2qsc h SER 31 CO 0.00 0.00 -0.63 -0.31 -1.14 0.00 0.00 176.83 174.75 2qsc s TYR 32 N -3.22 3.11 0.29 3.45 2.02 -0.90 -4.87 117.35 117.24 2qsc s TYR 32 Ca 0.06 0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.57 2qsc s TYR 32 Cb 0.07 -1.67 -0.09 0.00 -0.40 0.00 0.00 41.96 39.86 2qsc s TYR 32 CO 0.68 0.48 1.08 0.08 -1.57 0.00 0.00 175.55 176.30 2qsc s VAL 33 N -1.12 3.56 0.13 0.71 1.01 -1.26 -4.20 120.40 119.24 2qsc s VAL 33 Ca 0.21 1.52 0.10 0.00 0.00 0.00 0.00 61.98 63.80 2qsc s VAL 33 Cb -0.12 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2qsc s VAL 33 CO 0.11 0.32 -0.23 -0.04 0.00 0.00 0.00 175.10 175.27 2qsc s MET 34 N -1.58 1.58 0.19 2.72 1.00 -1.01 -0.90 119.30 121.30 2qsc s MET 34 Ca 0.46 -1.30 0.08 0.00 0.00 0.00 0.00 55.69 54.93 2qsc s MET 34 Cb -0.30 -1.98 -0.04 0.00 0.00 0.00 0.00 34.83 32.50 2qsc s MET 34 CO 0.38 0.45 -0.16 -1.01 0.00 0.00 0.00 175.02 174.69 2qsc s HIS 35 N -1.18 1.74 -0.08 -0.03 3.76 0.02 -1.48 115.29 118.04 2qsc s HIS 35 Ca 0.17 -0.53 0.04 0.00 -0.15 0.00 0.00 55.06 54.58 2qsc s HIS 35 Cb -0.10 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 32.76 2qsc s HIS 35 CO 0.08 0.35 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.53 2qsc s TRP 36 N -2.66 2.33 0.19 1.40 0.52 -0.60 -1.38 118.94 118.74 2qsc s TRP 36 Ca 0.20 -0.89 0.06 0.00 0.02 0.00 0.00 56.10 55.49 2qsc s TRP 36 Cb -0.02 -1.57 -0.05 0.00 -1.15 0.00 0.00 33.47 30.68 2qsc s TRP 36 CO 0.07 -0.35 -0.10 0.08 0.02 0.00 0.00 176.95 176.67 2qsc s VAL 37 N 0.29 1.40 0.07 4.03 1.01 0.32 -1.37 120.40 126.15 2qsc s VAL 37 Ca -0.15 -2.12 -0.06 0.00 0.00 0.00 0.00 61.98 59.65 2qsc s VAL 37 Cb -0.17 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2qsc s VAL 37 CO 0.07 -0.59 0.10 0.00 0.00 0.00 0.00 175.10 174.68 2qsc s ARG 38 N -3.72 0.75 -0.12 2.72 1.70 -0.54 0.72 118.95 120.46 2qsc s ARG 38 Ca 0.22 -1.06 -0.03 0.00 -0.47 0.00 0.00 55.73 54.39 2qsc s ARG 38 Cb 0.02 0.29 0.05 0.00 -0.57 0.00 0.00 34.95 34.73 2qsc s ARG 38 CO 0.05 -0.20 0.05 -1.14 -1.08 0.00 0.00 175.30 172.98 2qsc s GLN 39 N -3.88 0.26 0.50 3.89 0.74 -0.33 -0.04 119.66 120.81 2qsc s GLN 39 Ca 0.06 0.00 -0.20 0.00 0.05 0.00 0.00 55.36 55.27 2qsc s GLN 39 Cb 0.06 -1.38 -0.08 0.00 1.10 0.00 0.00 33.01 32.71 2qsc s GLN 39 CO -0.11 -0.50 1.07 0.00 -0.55 0.00 0.00 175.29 175.20 2qsc s ALA 40 N 2.05 2.83 0.25 1.58 0.00 -1.26 -1.71 121.76 125.50 2qsc s ALA 40 Ca 0.03 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 2qsc s ALA 40 Cb -0.14 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 2qsc s ALA 40 CO -0.06 -0.45 1.56 -2.30 0.00 0.00 0.00 175.76 174.50 2qsc n PRO 41 N -1.03 2.44 -1.00 0.00 -0.02 -1.26 -1.85 135.00 132.29 2qsc n PRO 41 Ca 0.10 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2qsc n PRO 41 Cb 0.52 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2qsc n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qsc n GLY 42 N 2.62 0.26 3.50 -1.23 0.00 -1.26 -4.99 105.19 104.10 2qsc n GLY 42 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2qsc n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qsc s GLN 43 N -0.96 1.74 0.76 1.61 -0.21 -0.77 -5.15 119.66 116.68 2qsc s GLN 43 Ca 0.00 -1.95 -0.12 0.00 0.02 0.00 0.00 55.36 53.31 2qsc s GLN 43 Cb 0.00 -1.20 0.05 0.00 1.00 0.00 0.00 33.01 32.86 2qsc s GLN 43 CO 0.00 -0.09 1.14 0.20 -2.12 0.00 0.00 175.29 174.42 2qsc s GLY 44 N -3.55 1.61 0.40 3.09 0.00 -1.26 -4.59 107.32 103.01 2qsc s GLY 44 Ca 0.35 -0.48 -0.27 0.00 0.00 0.00 0.00 44.72 44.32 2qsc s GLY 44 CO 0.16 -0.05 1.44 1.08 0.00 0.00 0.00 173.10 175.73 2qsc s LEU 45 N -5.50 4.24 -0.11 0.66 2.01 -1.26 -4.38 118.68 114.34 2qsc s LEU 45 Ca 0.60 2.95 0.00 0.00 0.01 0.00 0.00 54.13 57.70 2qsc s LEU 45 Cb -0.11 -3.78 0.02 0.00 0.01 0.00 0.00 46.19 42.33 2qsc s LEU 45 CO 0.51 -0.96 -0.10 -0.70 1.01 0.00 0.00 176.35 176.11 2qsc s GLU 46 N -2.22 1.74 0.21 1.70 2.12 0.94 -5.00 118.70 118.20 2qsc s GLU 46 Ca 0.56 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 55.23 2qsc s GLU 46 Cb -0.44 -1.67 -0.08 0.00 0.26 0.00 0.00 34.13 32.20 2qsc s GLU 46 CO 0.59 -0.19 1.11 -0.47 -0.54 0.00 0.00 175.26 175.75 2qsc s TYR 47 N 1.43 3.57 -0.02 5.30 5.04 -1.26 -1.47 117.35 129.95 2qsc s TYR 47 Ca 0.01 1.61 -0.05 0.00 -2.44 0.00 0.00 57.07 56.19 2qsc s TYR 47 Cb -0.13 -3.29 -0.02 0.00 0.35 0.00 0.00 41.96 38.86 2qsc s TYR 47 CO -0.06 -0.65 -0.11 1.28 -1.34 0.00 0.00 175.55 174.67 2qsc n LEU 48 N 2.05 1.13 -3.72 6.97 4.77 -0.47 -4.76 117.00 122.97 2qsc n LEU 48 Ca 0.02 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 2qsc n LEU 48 Cb 0.46 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 2qsc n LEU 48 CO 0.54 -0.35 0.07 -0.55 -1.33 0.00 0.00 177.39 175.77 2qsc s SER 49 N -5.91 -0.19 0.06 -1.43 0.15 -1.00 -0.19 113.70 105.18 2qsc s SER 49 Ca -0.10 -0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.54 2qsc s SER 49 Cb 0.02 0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 2qsc s SER 49 CO 0.14 -0.60 -0.16 0.00 1.20 0.00 0.00 173.24 173.82 2qsc s ALA 50 N -2.29 1.37 0.00 5.45 0.00 -0.27 -1.56 121.76 124.47 2qsc s ALA 50 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2qsc s ALA 50 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2qsc s ALA 50 CO -0.01 0.26 0.00 1.51 0.00 0.00 0.00 175.76 177.52 2qsc n ILE 51 N 1.62 0.00 -0.05 0.00 3.06 -0.55 -0.21 119.36 123.23 2qsc n ILE 51 Ca -0.19 0.00 -0.19 0.00 -2.50 0.00 0.00 62.75 59.87 2qsc n ILE 51 Cb 0.54 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.59 2qsc n ILE 51 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 2qsc n SER 52 N 0.00 1.93 0.25 9.51 3.41 -1.26 -2.41 113.62 125.05 2qsc n SER 52 Ca 0.00 0.08 0.15 0.00 -0.26 0.00 0.00 58.87 58.84 2qsc n SER 52 Cb 0.00 -0.58 0.46 0.00 -0.26 0.00 0.00 64.21 63.83 2qsc n SER 52 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2qsc h ASP 53 N 0.04 0.00 0.00 4.04 3.04 -1.91 -3.46 116.42 118.17 2qsc h ASP 53 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2qsc h ASP 53 Cb 1.99 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.28 2qsc h ASP 53 CO 0.02 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.83 2qsc n GLY 54 N 0.51 0.64 0.49 7.15 0.00 -1.26 -4.93 105.19 107.79 2qsc n GLY 54 Ca 0.02 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2qsc n GLY 54 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2qsc n GLU 55 N -2.67 1.57 -3.93 1.61 0.28 -1.26 -4.73 120.64 111.51 2qsc n GLU 55 Ca 0.00 -1.08 -0.28 0.00 -0.16 0.00 0.00 57.16 55.65 2qsc n GLU 55 Cb 0.00 -1.31 -0.17 0.00 1.43 0.00 0.00 31.44 31.39 2qsc n GLU 55 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2qsc s THR 56 N -1.79 1.18 0.19 3.84 2.01 -1.26 -5.14 115.64 114.68 2qsc s THR 56 Ca 0.16 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 61.84 2qsc s THR 56 Cb 0.14 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 2qsc s THR 56 CO 0.35 0.37 -0.20 0.42 -0.69 0.00 0.00 174.62 174.87 2qsc s THR 57 N 1.64 2.10 -0.03 -0.82 -4.23 -1.26 -4.38 115.64 108.66 2qsc s THR 57 Ca 0.05 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 2qsc s THR 57 Cb -0.13 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 2qsc s THR 57 CO -0.09 -0.27 -0.24 -0.47 -0.54 0.00 0.00 174.62 173.01 2qsc s TYR 58 N -2.02 2.39 -0.05 3.99 5.04 0.70 -4.97 117.35 122.43 2qsc s TYR 58 Ca 0.20 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.43 2qsc s TYR 58 Cb -0.06 -1.52 0.01 0.00 0.35 0.00 0.00 41.96 40.74 2qsc s TYR 58 CO 0.09 -0.02 -0.10 -1.01 -1.34 0.00 0.00 175.55 173.17 2qsc s HIS 59 N -0.60 1.13 0.72 4.97 3.76 -1.26 -1.11 115.29 122.90 2qsc s HIS 59 Ca 0.09 -0.36 -0.15 0.00 -0.15 0.00 0.00 55.06 54.49 2qsc s HIS 59 Cb -0.10 -0.85 0.03 0.00 1.11 0.00 0.00 32.58 32.77 2qsc s HIS 59 CO -0.00 -0.20 1.19 0.00 -0.85 0.00 0.00 174.74 174.88 2qsc s ALA 60 N 0.56 2.18 0.53 -1.40 0.00 0.74 -4.61 121.76 119.76 2qsc s ALA 60 Ca -0.10 0.83 0.22 0.00 0.00 0.00 0.00 51.96 52.90 2qsc s ALA 60 Cb -0.13 -3.44 1.37 0.00 0.00 0.00 0.00 23.12 20.92 2qsc s ALA 60 CO 0.02 -1.76 2.07 -0.91 0.00 0.00 0.00 175.76 175.18 2qsc h ASN 61 N -0.21 0.00 0.85 0.00 2.35 -1.94 0.19 115.58 116.82 2qsc h ASN 61 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2qsc h ASN 61 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2qsc h ASN 61 CO 0.51 0.00 0.00 0.77 -1.65 0.00 0.00 177.43 177.06 2qsc h SER 62 N 0.00 0.00 0.00 5.81 4.64 -1.95 -3.30 113.55 118.76 2qsc h SER 62 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2qsc h SER 62 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2qsc h SER 62 CO -0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 2qsc n VAL 63 N -2.55 0.00 -0.22 0.95 0.24 -0.66 -5.00 118.33 111.10 2qsc n VAL 63 Ca 0.02 -0.13 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 2qsc n VAL 63 Cb 0.26 1.56 -0.08 0.00 -1.47 0.00 0.00 33.84 34.11 2qsc n VAL 63 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2qsc h LYS 64 N 0.00 -0.15 -1.18 7.34 3.64 -0.74 0.62 116.57 126.09 2qsc h LYS 64 Ca 0.00 0.01 -0.48 0.00 -1.27 0.00 0.00 60.65 58.91 2qsc h LYS 64 Cb 0.28 0.03 -0.22 0.00 -0.41 0.00 0.00 32.23 31.91 2qsc h LYS 64 CO 0.00 -0.10 0.62 0.41 -2.27 0.00 0.00 179.45 178.11 2qsc n GLY 65 N -1.25 4.72 1.63 5.01 0.00 -1.26 -4.30 105.19 109.74 2qsc n GLY 65 Ca -0.01 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2qsc n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qsc n ARG 66 N -0.43 0.00 -4.27 1.61 1.74 0.06 -5.06 116.66 110.31 2qsc n ARG 66 Ca 0.47 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.23 2qsc n ARG 66 Cb 0.83 -0.15 -0.09 0.00 -1.02 0.00 0.00 32.46 32.03 2qsc n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qsc s PHE 67 N -1.92 3.05 -0.11 -1.55 0.08 -0.35 -2.11 117.98 115.06 2qsc s PHE 67 Ca 0.00 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.12 2qsc s PHE 67 Cb 0.00 -1.64 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2qsc s PHE 67 CO 0.00 0.46 -0.13 0.99 -0.10 0.00 0.00 175.22 176.44 2qsc s THR 68 N -1.12 1.39 -0.01 0.64 2.01 0.46 -4.79 115.64 114.23 2qsc s THR 68 Ca 0.20 -0.56 -0.26 0.00 0.31 0.00 0.00 61.69 61.38 2qsc s THR 68 Cb -0.12 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2qsc s THR 68 CO 0.11 0.42 0.82 -0.44 -0.69 0.00 0.00 174.62 174.85 2qsc s SER 69 N 1.21 7.19 0.16 3.53 0.01 -1.26 -0.44 113.70 124.10 2qsc s SER 69 Ca -0.03 1.43 -0.01 0.00 1.31 0.00 0.00 55.95 58.66 2qsc s SER 69 Cb -0.14 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2qsc s SER 69 CO -0.04 -0.13 0.08 -0.94 0.41 0.00 0.00 173.24 172.62 2qsc s SER 70 N 0.62 0.35 -0.01 2.44 1.04 -0.91 -4.98 113.70 112.26 2qsc s SER 70 Ca 0.43 -1.28 -0.08 0.00 0.48 0.00 0.00 55.95 55.49 2qsc s SER 70 Cb -0.20 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.24 2qsc s SER 70 CO 0.23 -0.76 0.17 0.00 0.98 0.00 0.00 173.24 173.86 2qsc s ARG 71 N -4.08 0.49 -0.30 4.02 1.70 -1.26 0.62 118.95 120.14 2qsc s ARG 71 Ca 0.30 -0.31 0.03 0.00 -0.47 0.00 0.00 55.73 55.28 2qsc s ARG 71 Cb 0.07 0.21 0.08 0.00 -0.57 0.00 0.00 34.95 34.74 2qsc s ARG 71 CO 0.06 -0.12 -0.01 0.34 -1.08 0.00 0.00 175.30 174.50 2qsc s ASP 72 N -1.24 4.51 0.27 -2.89 -1.08 -0.50 -4.99 116.67 110.76 2qsc s ASP 72 Ca -0.13 -1.78 0.07 0.00 -0.52 0.00 0.00 52.55 50.19 2qsc s ASP 72 Cb -0.07 -1.50 0.37 0.00 -1.46 0.00 0.00 42.92 40.27 2qsc s ASP 72 CO 0.02 -0.31 1.64 0.78 0.52 0.00 0.00 175.17 177.82 2qsc h ASN 73 N 7.73 0.19 0.62 -0.34 2.35 -1.95 -1.86 115.58 122.32 2qsc h ASN 73 Ca -0.11 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2qsc h ASN 73 Cb 1.03 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2qsc h ASN 73 CO 0.49 0.68 0.00 -1.54 -1.65 0.00 0.00 177.43 175.41 2qsc n SER 74 N -3.92 0.53 -0.34 5.81 3.41 -1.26 -2.13 113.62 115.72 2qsc n SER 74 Ca -0.02 0.64 0.05 0.00 -0.26 0.00 0.00 58.87 59.28 2qsc n SER 74 Cb 0.56 -0.75 0.03 0.00 -0.26 0.00 0.00 64.21 63.78 2qsc n SER 74 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qsc n LYS 75 N -2.10 0.81 -3.90 4.33 5.02 -0.93 -5.01 118.16 116.38 2qsc n LYS 75 Ca 0.02 -0.94 -0.28 0.00 -2.02 0.00 0.00 58.31 55.09 2qsc n LYS 75 Cb 0.20 -1.15 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 2qsc n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qsc n ASN 76 N 0.33 -2.85 -4.04 4.39 3.02 -0.74 -4.88 115.26 110.49 2qsc n ASN 76 Ca 0.05 -0.86 -0.23 0.00 -0.03 0.00 0.00 54.58 53.52 2qsc n ASN 76 Cb 0.23 -3.66 -0.16 0.00 -0.61 0.00 0.00 39.78 35.58 2qsc n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qsc s THR 77 N -3.51 1.03 -0.11 3.41 2.01 -0.94 -1.69 115.64 115.84 2qsc s THR 77 Ca 0.38 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 2qsc s THR 77 Cb -0.19 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 2qsc s THR 77 CO 0.85 0.31 0.10 -0.22 -0.69 0.00 0.00 174.62 174.97 2qsc s LEU 78 N 0.25 4.17 0.18 4.42 2.96 0.69 -1.41 118.68 129.94 2qsc s LEU 78 Ca -0.05 0.38 0.11 0.00 -0.22 0.00 0.00 54.13 54.35 2qsc s LEU 78 Cb -0.11 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2qsc s LEU 78 CO 0.01 0.40 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.83 2qsc s PHE 79 N -1.00 2.29 -0.19 5.38 0.08 0.20 0.33 117.98 125.07 2qsc s PHE 79 Ca 0.15 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.80 2qsc s PHE 79 Cb -0.12 -1.16 0.06 0.00 -0.57 0.00 0.00 43.02 41.23 2qsc s PHE 79 CO 0.04 0.46 0.05 -1.17 -0.10 0.00 0.00 175.22 174.50 2qsc s LEU 80 N -2.53 1.03 -0.29 -0.37 2.96 0.21 -2.14 118.68 117.55 2qsc s LEU 80 Ca 0.19 -0.81 -0.22 0.00 -0.22 0.00 0.00 54.13 53.07 2qsc s LEU 80 Cb -0.08 -0.53 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 2qsc s LEU 80 CO 0.09 -0.32 0.73 -1.58 -1.32 0.00 0.00 176.35 173.94 2qsc s GLN 81 N 1.91 3.99 -0.17 1.98 2.00 0.42 -0.46 119.66 129.33 2qsc s GLN 81 Ca -0.00 0.53 -0.03 0.00 -2.00 0.00 0.00 55.36 53.86 2qsc s GLN 81 Cb -0.17 -3.71 -0.02 0.00 0.80 0.00 0.00 33.01 29.91 2qsc s GLN 81 CO -0.09 -0.60 -0.06 -1.64 -0.50 0.00 0.00 175.29 172.41 2qsc s MET 82 N 2.79 3.53 0.15 1.67 -1.94 0.26 -0.40 119.30 125.36 2qsc s MET 82 Ca 0.30 -0.58 0.04 0.00 -1.71 0.00 0.00 55.69 53.74 2qsc s MET 82 Cb -0.15 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 2qsc s MET 82 CO 0.11 0.12 -0.09 0.20 -0.01 0.00 0.00 175.02 175.35 2qsc s GLY 82 N 0.66 1.11 -0.72 -0.03 0.00 -0.90 -1.44 107.32 106.00 2qsc s GLY 82 Ca -0.03 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.06 2qsc s GLY 82 CO 0.02 -1.60 0.62 -1.14 0.00 0.00 0.00 173.10 171.01 2qsc n SER 82 N -0.22 -5.06 -4.85 1.64 3.41 -1.20 -4.67 113.62 102.68 2qsc n SER 82 Ca -0.10 -0.73 -0.34 0.00 -0.26 0.00 0.00 58.87 57.45 2qsc n SER 82 Cb 0.61 -1.69 -0.06 0.00 -0.26 0.00 0.00 64.21 62.81 2qsc n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qsc s LEU 82 N -4.22 4.21 0.44 1.04 1.43 -1.24 -4.76 118.68 115.56 2qsc s LEU 82 Ca 0.11 1.15 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 2qsc s LEU 82 Cb -0.01 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2qsc s LEU 82 CO 0.89 -0.05 0.04 -0.13 0.23 0.00 0.00 176.35 177.33 2qsc s ARG 83 N -2.51 2.00 0.43 1.70 1.81 -1.26 -1.51 118.95 119.61 2qsc s ARG 83 Ca 0.46 -2.22 0.12 0.00 -1.72 0.00 0.00 55.73 52.38 2qsc s ARG 83 Cb -0.13 -1.27 0.93 0.00 -0.45 0.00 0.00 34.95 34.04 2qsc s ARG 83 CO 0.19 -0.29 1.98 1.15 -0.68 0.00 0.00 175.30 177.66 2qsc h THR 84 N 1.65 1.14 0.00 0.02 2.02 -1.99 -2.08 112.91 113.67 2qsc h THR 84 Ca -0.42 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.15 2qsc h THR 84 Cb 1.28 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2qsc h THR 84 CO 0.71 0.19 0.00 -0.62 0.37 0.00 0.00 175.52 176.17 2qsc n GLU 85 N -4.33 0.08 0.00 6.66 4.71 -1.26 -2.31 120.64 124.19 2qsc n GLU 85 Ca -0.02 0.21 0.13 0.00 -0.01 0.00 0.00 57.16 57.48 2qsc n GLU 85 Cb 0.23 -1.50 0.37 0.00 -1.01 0.00 0.00 31.44 29.54 2qsc n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2qsc n ASP 86 N -1.42 1.71 -4.60 1.62 8.00 -0.78 -4.84 116.55 116.24 2qsc n ASP 86 Ca 0.05 -1.45 -0.43 0.00 0.71 0.00 0.00 54.79 53.67 2qsc n ASP 86 Cb 0.15 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2qsc n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qsc s VAL 87 N -2.15 3.41 0.08 2.53 1.01 -0.98 -4.85 120.40 119.46 2qsc s VAL 87 Ca 0.32 0.41 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 2qsc s VAL 87 Cb 0.20 -3.58 0.08 0.00 0.00 0.00 0.00 36.38 33.09 2qsc s VAL 87 CO 0.39 -0.38 0.82 0.00 0.00 0.00 0.00 175.10 175.93 2qsc s ALA 88 N 7.19 -1.71 -0.17 5.51 0.00 -1.10 -4.37 121.76 127.11 2qsc s ALA 88 Ca 0.82 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 53.20 2qsc s ALA 88 Cb -0.23 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 2qsc s ALA 88 CO 0.33 -0.78 0.82 0.08 0.00 0.00 0.00 175.76 176.20 2qsc s VAL 89 N -3.35 4.89 -0.19 0.00 1.01 -0.69 -1.30 120.40 120.77 2qsc s VAL 89 Ca 0.05 1.60 -0.10 0.00 0.00 0.00 0.00 61.98 63.53 2qsc s VAL 89 Cb -0.01 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2qsc s VAL 89 CO -0.07 0.03 0.14 -0.31 0.00 0.00 0.00 175.10 174.89 2qsc s TYR 90 N 2.13 3.42 -0.10 5.22 1.51 0.23 -1.18 117.35 128.58 2qsc s TYR 90 Ca 0.38 0.35 0.03 0.00 -1.01 0.00 0.00 57.07 56.82 2qsc s TYR 90 Cb -0.16 -2.16 -0.01 0.00 -0.11 0.00 0.00 41.96 39.52 2qsc s TYR 90 CO 0.12 0.30 -0.21 0.71 -1.11 0.00 0.00 175.55 175.37 2qsc s TYR 91 N 0.32 2.62 0.02 2.71 2.02 0.22 -0.71 117.35 124.55 2qsc s TYR 91 Ca 0.09 -0.88 -0.04 0.00 -0.37 0.00 0.00 57.07 55.87 2qsc s TYR 91 Cb -0.11 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2qsc s TYR 91 CO -0.01 -0.32 0.24 0.00 -1.57 0.00 0.00 175.55 173.88 2qsc s ALA 93 N -1.38 0.22 -0.16 0.00 0.00 -0.48 -1.57 121.76 118.39 2qsc s ALA 93 Ca 0.30 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 2qsc s ALA 93 Cb -0.13 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2qsc s ALA 93 CO 0.20 -0.24 0.31 0.50 0.00 0.00 0.00 175.76 176.52 2qsc s ARG 94 N -2.34 4.26 0.31 0.00 3.52 0.14 -0.80 118.95 124.04 2qsc s ARG 94 Ca -0.08 0.12 -0.24 0.00 -0.13 0.00 0.00 55.73 55.40 2qsc s ARG 94 Cb -0.03 -3.43 -0.10 0.00 -1.56 0.00 0.00 34.95 29.83 2qsc s ARG 94 CO -0.04 0.22 0.89 0.34 -0.81 0.00 0.00 175.30 175.90 2qsc s ASP 95 N 0.52 7.23 0.00 -2.12 2.15 -0.08 -1.64 116.67 122.73 2qsc s ASP 95 Ca 0.17 1.72 0.05 0.00 0.43 0.00 0.00 52.55 54.92 2qsc s ASP 95 Cb -0.13 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2qsc s ASP 95 CO 0.04 -0.07 -0.15 -0.60 -0.17 0.00 0.00 175.17 174.22 2qsc s ARG 96 N -2.15 1.18 -0.16 4.34 3.52 0.04 -4.55 118.95 121.17 2qsc s ARG 96 Ca 0.50 -0.61 -0.02 0.00 -0.13 0.00 0.00 55.73 55.46 2qsc s ARG 96 Cb -0.17 -1.17 -0.01 0.00 -1.56 0.00 0.00 34.95 32.04 2qsc s ARG 96 CO 0.22 0.31 -0.09 -0.47 -0.81 0.00 0.00 175.30 174.46 2qsc s TYR 97 N -0.48 2.89 -0.51 5.12 5.04 -1.26 -1.92 117.35 126.23 2qsc s TYR 97 Ca 0.05 -0.69 -0.13 0.00 -2.44 0.00 0.00 57.07 53.86 2qsc s TYR 97 Cb -0.06 -1.93 0.13 0.00 0.35 0.00 0.00 41.96 40.44 2qsc s TYR 97 CO -0.00 -0.29 0.43 0.71 -1.34 0.00 0.00 175.55 175.06 2qsc s TYR 98 N 0.68 3.34 0.37 4.97 1.51 0.46 -4.96 117.35 123.71 2qsc s TYR 98 Ca -0.05 -1.59 0.04 0.00 -1.01 0.00 0.00 57.07 54.46 2qsc s TYR 98 Cb -0.15 -3.65 0.70 0.00 -0.11 0.00 0.00 41.96 38.74 2qsc s TYR 98 CO 0.02 -1.01 2.02 1.49 -1.11 0.00 0.00 175.55 176.97 2qsc h GLU 99 N 8.66 0.76 0.00 -0.62 4.81 -1.97 0.37 114.58 126.59 2qsc h GLU 99 Ca -0.25 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2qsc h GLU 99 Cb 1.09 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 2qsc h GLU 99 CO 0.95 0.50 -0.06 1.79 -0.73 0.00 0.00 179.01 181.46 2qsc h THR 100 N 0.78 0.74 0.00 0.32 1.35 -1.97 -3.01 112.91 111.12 2qsc h THR 100 Ca 0.21 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2qsc h THR 100 Cb -0.09 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2qsc h THR 100 CO -0.05 0.06 0.00 -1.54 -0.25 0.00 0.00 175.52 173.74 2qsc n SER 100 N -4.03 0.72 -3.52 5.36 3.41 -0.96 -5.03 113.62 109.58 2qsc n SER 100 Ca -0.03 -0.87 -0.20 0.00 -0.26 0.00 0.00 58.87 57.51 2qsc n SER 100 Cb 0.15 0.23 0.08 0.00 -0.26 0.00 0.00 64.21 64.41 2qsc n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qsc n GLY 100 N 0.23 -0.45 3.25 5.00 0.00 0.08 -5.00 105.19 108.31 2qsc n GLY 100 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 2qsc n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qsc s SER 100 N -3.87 0.81 0.05 1.61 1.04 -1.09 -4.98 113.70 107.27 2qsc s SER 100 Ca 0.28 -1.33 0.03 0.00 0.48 0.00 0.00 55.95 55.40 2qsc s SER 100 Cb -0.12 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 2qsc s SER 100 CO 0.73 -0.74 -0.09 0.20 0.98 0.00 0.00 173.24 174.32 2qsc s ASN 100 N -3.22 1.07 0.27 7.02 -0.87 -1.26 -0.40 114.94 117.54 2qsc s ASN 100 Ca 0.35 -0.59 -0.05 0.00 -1.57 0.00 0.00 52.86 51.00 2qsc s ASN 100 Cb 0.07 0.02 -0.01 0.00 -0.02 0.00 0.00 41.25 41.31 2qsc s ASN 100 CO 0.10 -0.19 0.36 0.00 -2.57 0.00 0.00 177.10 174.81 2qsc s ALA 100 N -1.46 0.61 -0.69 0.60 0.00 -0.81 -4.99 121.76 115.02 2qsc s ALA 100 Ca -0.07 -1.39 -0.13 0.00 0.00 0.00 0.00 51.96 50.38 2qsc s ALA 100 Cb -0.09 1.22 0.18 0.00 0.00 0.00 0.00 23.12 24.42 2qsc s ALA 100 CO 0.01 -0.75 0.62 -0.06 0.00 0.00 0.00 175.76 175.58 2qsc s PHE 100 N -3.74 3.56 -0.49 0.00 0.40 -1.26 -0.78 117.98 115.67 2qsc s PHE 100 Ca 0.31 -1.90 0.24 0.00 -0.60 0.00 0.00 56.93 54.98 2qsc s PHE 100 Cb 0.02 -3.71 0.40 0.00 0.51 0.00 0.00 43.02 40.24 2qsc s PHE 100 CO 0.14 -0.98 1.56 0.38 0.70 0.00 0.00 175.22 177.03 2qsc h ASP 101 N 8.03 0.00 -3.41 1.36 2.03 -1.63 -3.44 116.42 119.36 2qsc h ASP 101 Ca -0.04 -0.01 -0.38 0.00 -0.73 0.00 0.00 57.03 55.87 2qsc h ASP 101 Cb 1.05 0.00 -0.35 0.00 -0.83 0.00 0.00 39.33 39.19 2qsc h ASP 101 CO 0.83 0.01 -0.76 -0.69 -1.03 0.00 0.00 179.24 177.60 2qsc s VAL 102 N -3.20 0.26 0.29 4.15 1.01 -1.24 -5.00 120.40 116.66 2qsc s VAL 102 Ca 0.07 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.24 2qsc s VAL 102 Cb 0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 2qsc s VAL 102 CO 0.67 0.19 -0.05 0.26 0.00 0.00 0.00 175.10 176.17 2qsc s TRP 103 N 1.34 2.57 0.58 5.22 0.52 -1.26 0.25 118.94 128.15 2qsc s TRP 103 Ca -0.05 -0.29 -0.02 0.00 0.02 0.00 0.00 56.10 55.76 2qsc s TRP 103 Cb -0.13 -1.21 0.03 0.00 -1.15 0.00 0.00 33.47 31.01 2qsc s TRP 103 CO -0.02 0.61 0.84 0.20 0.02 0.00 0.00 176.95 178.59 2qsc s GLY 104 N -3.65 1.72 0.00 0.98 0.00 -0.61 -4.37 107.32 101.39 2qsc s GLY 104 Ca 0.32 -1.09 0.18 0.00 0.00 0.00 0.00 44.72 44.13 2qsc s GLY 104 CO 0.19 -0.80 1.59 -1.06 0.00 0.00 0.00 173.10 173.02 2qsc n GLN 105 N -2.48 0.02 0.00 2.90 6.02 -1.25 -4.84 117.38 117.74 2qsc n GLN 105 Ca 0.06 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2qsc n GLN 105 Cb 0.59 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.35 2qsc n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qsc n GLY 106 N 0.40 1.21 2.92 1.08 0.00 -1.26 -5.06 105.19 104.47 2qsc n GLY 106 Ca 0.05 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 2qsc n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qsc s THR 107 N -2.54 0.51 -0.06 2.61 -1.32 0.11 -4.80 115.64 110.14 2qsc s THR 107 Ca 0.00 -0.17 -0.19 0.00 -1.21 0.00 0.00 61.69 60.12 2qsc s THR 107 Cb 0.00 -0.50 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 2qsc s THR 107 CO 0.00 0.19 0.52 -0.32 -2.21 0.00 0.00 174.62 172.81 2qsc s MET 108 N 0.52 4.29 -0.15 7.08 1.75 -1.26 0.77 119.30 132.31 2qsc s MET 108 Ca -0.07 0.57 0.02 0.00 -1.25 0.00 0.00 55.69 54.96 2qsc s MET 108 Cb -0.10 -3.38 0.01 0.00 2.84 0.00 0.00 34.83 34.19 2qsc s MET 108 CO 0.00 0.28 -0.21 0.08 -0.65 0.00 0.00 175.02 174.52 2qsc s VAL 109 N 0.18 2.17 -0.17 10.11 1.01 -0.42 -1.89 120.40 131.39 2qsc s VAL 109 Ca 0.28 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2qsc s VAL 109 Cb -0.16 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2qsc s VAL 109 CO 0.13 0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 175.02 2qsc s VAL 110 N 0.85 3.46 -0.30 2.92 1.01 -0.31 -2.73 120.40 125.30 2qsc s VAL 110 Ca -0.06 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2qsc s VAL 110 Cb -0.15 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2qsc s VAL 110 CO -0.02 0.48 0.14 -0.69 0.00 0.00 0.00 175.10 175.00 2qsc s VAL 111 N 0.68 4.53 0.04 2.92 1.01 -1.26 -1.24 120.40 127.09 2qsc s VAL 111 Ca -0.04 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 2qsc s VAL 111 Cb -0.15 -3.28 0.08 0.00 0.00 0.00 0.00 36.38 33.03 2qsc s VAL 111 CO 0.02 0.11 0.71 -0.55 0.00 0.00 0.00 175.10 175.40 2qsc s SER 112 N 1.61 -0.53 -0.02 3.32 0.15 -0.44 -4.82 113.70 112.97 2qsc s SER 112 Ca 0.05 0.22 0.16 0.00 0.70 0.00 0.00 55.95 57.08 2qsc s SER 112 Cb -0.17 0.51 0.50 0.00 -1.71 0.00 0.00 66.02 65.16 2qsc s SER 112 CO 0.06 -0.75 1.41 -1.54 1.20 0.00 0.00 173.24 173.62 2qsc n SER 113 N 0.07 3.15 -4.88 5.45 3.41 -1.26 -3.86 113.62 115.70 2qsc n SER 113 Ca -0.15 -2.08 -0.30 0.00 -0.26 0.00 0.00 58.87 56.08 2qsc n SER 113 Cb 0.62 -0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 2qsc n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qsc s ALA 114 N -1.38 3.25 0.28 7.33 0.00 -1.26 -5.07 121.76 124.90 2qsc s ALA 114 Ca 0.38 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 2qsc s ALA 114 Cb 0.21 -2.85 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 2qsc s ALA 114 CO 0.24 -0.37 0.60 -1.12 0.00 0.00 0.00 175.76 175.11 2qsc s SER 115 N -3.77 6.57 0.35 0.00 0.01 -1.26 -5.01 113.70 110.59 2qsc s SER 115 Ca 0.52 0.92 -0.28 0.00 1.31 0.00 0.00 55.95 58.42 2qsc s SER 115 Cb -0.10 -2.23 -0.11 0.00 0.21 0.00 0.00 66.02 63.79 2qsc s SER 115 CO 0.43 -0.17 1.37 -0.89 0.41 0.00 0.00 173.24 174.39 2qsc s THR 116 N -2.00 2.46 -0.03 1.44 2.01 -1.26 -4.88 115.64 113.39 2qsc s THR 116 Ca 0.48 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.94 2qsc s THR 116 Cb -0.11 -3.30 0.03 0.00 0.01 0.00 0.00 72.50 69.13 2qsc s THR 116 CO 0.25 0.11 0.01 -0.75 -0.69 0.00 0.00 174.62 173.55 2qsc s LYS 117 N -1.91 0.15 0.51 4.92 2.20 -0.98 -4.97 119.74 119.65 2qsc s LYS 117 Ca 0.50 0.13 -0.19 0.00 -0.36 0.00 0.00 55.97 56.05 2qsc s LYS 117 Cb -0.42 -0.38 -0.08 0.00 -1.51 0.00 0.00 37.83 35.44 2qsc s LYS 117 CO 0.57 -0.15 1.02 0.20 -0.36 0.00 0.00 175.35 176.63 2qsc s GLY 118 N 1.05 2.36 0.37 5.54 0.00 -1.26 -1.60 107.32 113.79 2qsc s GLY 118 Ca -0.09 0.49 -0.20 0.00 0.00 0.00 0.00 44.72 44.91 2qsc s GLY 118 CO -0.02 0.80 0.88 2.56 0.00 0.00 0.00 173.10 177.32 2qsc s PRO 119 N -3.50 4.23 -0.21 2.90 0.04 -1.26 -4.44 135.00 132.76 2qsc s PRO 119 Ca 0.65 1.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 2qsc s PRO 119 Cb -0.15 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 2qsc s PRO 119 CO 0.24 0.09 0.15 -1.12 0.04 0.00 0.00 177.00 176.40 2qsc s SER 120 N -2.07 6.20 -0.20 6.66 0.01 -0.37 -4.94 113.70 118.99 2qsc s SER 120 Ca 0.57 0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.99 2qsc s SER 120 Cb -0.11 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2qsc s SER 120 CO 0.16 0.15 0.01 -0.69 0.41 0.00 0.00 173.24 173.29 2qsc s VAL 121 N 0.53 4.08 0.03 3.43 1.01 -1.26 -0.82 120.40 127.40 2qsc s VAL 121 Ca 0.08 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2qsc s VAL 121 Cb -0.12 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 2qsc s VAL 121 CO -0.00 0.42 -0.25 -0.36 0.00 0.00 0.00 175.10 174.90 2qsc s PHE 122 N 1.01 2.24 0.44 5.22 0.08 0.18 -4.94 117.98 122.22 2qsc s PHE 122 Ca 0.02 -0.41 -0.23 0.00 0.12 0.00 0.00 56.93 56.43 2qsc s PHE 122 Cb -0.14 -1.37 -0.09 0.00 -0.57 0.00 0.00 43.02 40.86 2qsc s PHE 122 CO 0.02 0.09 1.06 -1.25 -0.10 0.00 0.00 175.22 175.04 2qsc s PRO 123 N -1.09 3.99 -0.29 0.24 0.04 -1.26 0.61 135.00 137.24 2qsc s PRO 123 Ca 0.11 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2qsc s PRO 123 Cb -0.10 -2.38 0.06 0.00 0.04 0.00 0.00 34.50 32.12 2qsc s PRO 123 CO 0.01 -0.30 -0.04 -0.51 0.04 0.00 0.00 177.00 176.21 2qsc s LEU 124 N -2.96 3.78 0.08 -3.56 1.43 0.13 -4.77 118.68 112.80 2qsc s LEU 124 Ca 0.62 -1.37 0.09 0.00 -1.03 0.00 0.00 54.13 52.43 2qsc s LEU 124 Cb -0.21 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2qsc s LEU 124 CO 0.26 -0.24 -0.24 0.00 0.23 0.00 0.00 176.35 176.36 2qsc s ALA 125 N 1.18 2.10 0.72 4.21 0.00 -1.26 -1.35 121.76 127.35 2qsc s ALA 125 Ca -0.06 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 2qsc s ALA 125 Cb -0.20 -0.38 0.11 0.00 0.00 0.00 0.00 23.12 22.65 2qsc s ALA 125 CO -0.03 0.47 0.71 -0.35 0.00 0.00 0.00 175.76 176.57 2qsc n PRO 126 N 1.42 -0.13 0.00 0.00 -0.04 -1.26 -5.07 135.00 129.92 2qsc n PRO 126 Ca -0.18 -1.66 0.02 0.00 -0.04 0.00 0.00 63.50 61.65 2qsc n PRO 126 Cb 0.53 -0.56 -0.01 0.00 -0.04 0.00 0.00 33.50 33.42 2qsc n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qsc n THR 137 N -0.70 0.00 -4.40 0.00 -1.04 -1.26 -5.29 114.28 101.59 2qsc n THR 137 Ca 0.02 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.76 2qsc n THR 137 Cb 0.09 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.49 2qsc n THR 137 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qsc s ALA 138 N 0.00 2.67 0.01 2.41 0.00 -1.16 -4.88 121.76 120.81 2qsc s ALA 138 Ca 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.36 2qsc s ALA 138 Cb 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2qsc s ALA 138 CO 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 175.76 176.00 2qsc s ALA 139 N -1.84 1.37 0.26 0.00 0.00 -1.26 -0.61 121.76 119.68 2qsc s ALA 139 Ca 0.23 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 2qsc s ALA 139 Cb -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 2qsc s ALA 139 CO 0.12 0.31 0.42 -0.48 0.00 0.00 0.00 175.76 176.13 2qsc s LEU 140 N -0.75 0.59 0.00 0.00 0.05 -0.74 -4.21 118.68 113.62 2qsc s LEU 140 Ca 0.05 -1.12 0.00 0.00 0.05 0.00 0.00 54.13 53.11 2qsc s LEU 140 Cb -0.07 1.49 0.00 0.00 -2.05 0.00 0.00 46.19 45.56 2qsc s LEU 140 CO 0.00 -1.13 0.00 0.61 -0.55 0.00 0.00 176.35 175.28 2qsc n GLY 141 N -0.40 -0.80 3.08 -3.48 0.00 -0.46 -0.37 105.19 102.75 2qsc n GLY 141 Ca -0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 2qsc n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsc s LEU 143 N -0.40 4.29 -0.52 0.00 2.96 0.20 -1.08 118.68 124.13 2qsc s LEU 143 Ca 0.04 -0.78 -0.16 0.00 -0.22 0.00 0.00 54.13 53.01 2qsc s LEU 143 Cb -0.05 -1.97 0.11 0.00 0.50 0.00 0.00 46.19 44.78 2qsc s LEU 143 CO -0.00 -0.27 0.47 -0.69 -1.32 0.00 0.00 176.35 174.53 2qsc s VAL 144 N 1.55 5.20 -0.04 1.68 1.01 0.67 -0.64 120.40 129.83 2qsc s VAL 144 Ca 0.03 -1.38 0.06 0.00 0.00 0.00 0.00 61.98 60.69 2qsc s VAL 144 Cb -0.18 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 2qsc s VAL 144 CO 0.05 -0.78 -0.22 -0.75 0.00 0.00 0.00 175.10 173.40 2qsc s LYS 145 N 1.61 2.40 -0.71 2.72 2.20 0.00 -0.73 119.74 127.23 2qsc s LYS 145 Ca 0.03 -0.84 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 2qsc s LYS 145 Cb -0.28 -2.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.80 2qsc s LYS 145 CO 0.04 0.52 0.62 -0.25 -0.36 0.00 0.00 175.35 175.92 2qsc n ASP 146 N 2.58 -4.93 -4.46 1.43 8.00 -0.55 -1.23 116.55 117.39 2qsc n ASP 146 Ca -0.17 -0.47 -0.23 0.00 0.71 0.00 0.00 54.79 54.63 2qsc n ASP 146 Cb 0.52 -3.65 -0.10 0.00 -0.02 0.00 0.00 41.12 37.86 2qsc n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2qsc s TYR 147 N -3.26 2.22 -0.22 1.24 1.13 -0.73 -4.33 117.35 113.39 2qsc s TYR 147 Ca 0.29 -0.38 -0.17 0.00 -1.41 0.00 0.00 57.07 55.40 2qsc s TYR 147 Cb -0.04 -1.00 0.06 0.00 -1.10 0.00 0.00 41.96 39.89 2qsc s TYR 147 CO 0.49 0.65 0.56 0.12 -2.51 0.00 0.00 175.55 174.86 2qsc s PHE 148 N -2.59 -0.71 0.00 -3.49 5.36 -0.63 -0.49 117.98 115.44 2qsc s PHE 148 Ca 0.29 1.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 2qsc s PHE 148 Cb -0.04 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.96 2qsc s PHE 148 CO 0.14 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 173.19 2qsc n PRO 149 N 3.43 3.52 -3.16 10.12 -0.04 -1.26 -2.32 135.00 145.29 2qsc n PRO 149 Ca -0.17 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 2qsc n PRO 149 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2qsc n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qsc s GLU 150 N 3.31 3.22 0.58 0.54 2.02 -1.26 -4.78 118.70 122.34 2qsc s GLU 150 Ca 0.00 -0.47 0.07 0.00 0.02 0.00 0.00 54.97 54.58 2qsc s GLU 150 Cb 0.00 -2.62 0.08 0.00 0.10 0.00 0.00 34.13 31.70 2qsc s GLU 150 CO 0.00 -0.09 0.81 -1.25 0.02 0.00 0.00 175.26 174.74 2qsc s PRO 151 N -4.44 2.25 -0.11 0.39 0.04 -1.26 -4.87 135.00 126.99 2qsc s PRO 151 Ca 0.45 -1.42 0.01 0.00 0.04 0.00 0.00 61.00 60.08 2qsc s PRO 151 Cb -0.10 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.88 2qsc s PRO 151 CO 0.37 -0.90 -0.13 0.08 0.04 0.00 0.00 177.00 176.45 2qsc s VAL 152 N -2.73 1.38 -0.12 -0.36 1.01 -1.26 -4.50 120.40 113.82 2qsc s VAL 152 Ca 0.62 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 2qsc s VAL 152 Cb -0.06 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2qsc s VAL 152 CO 0.39 0.42 0.15 0.42 0.00 0.00 0.00 175.10 176.49 2qsc s THR 153 N 1.16 5.49 -0.05 3.92 -4.23 -0.62 -4.96 115.64 116.36 2qsc s THR 153 Ca -0.03 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.74 2qsc s THR 153 Cb -0.14 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.29 2qsc s THR 153 CO -0.04 0.61 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.86 2qsc s VAL 154 N -1.00 0.96 0.22 2.29 1.01 -1.26 -1.16 120.40 121.45 2qsc s VAL 154 Ca 0.15 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2qsc s VAL 154 Cb -0.12 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 2qsc s VAL 154 CO 0.04 0.30 -0.03 -0.94 0.00 0.00 0.00 175.10 174.48 2qsc s SER 156 N 0.48 1.92 -0.08 3.32 1.04 -0.68 -4.96 113.70 114.72 2qsc s SER 156 Ca -0.09 -1.18 0.04 0.00 0.48 0.00 0.00 55.95 55.20 2qsc s SER 156 Cb -0.13 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 2qsc s SER 156 CO 0.02 -0.46 -0.23 0.26 0.98 0.00 0.00 173.24 173.81 2qsc s TRP 157 N -3.36 2.54 -1.52 5.02 0.52 -1.26 0.31 118.94 121.20 2qsc s TRP 157 Ca 0.27 -0.80 -0.12 0.00 0.02 0.00 0.00 56.10 55.47 2qsc s TRP 157 Cb 0.05 -1.67 0.08 0.00 -1.15 0.00 0.00 33.47 30.78 2qsc s TRP 157 CO 0.08 -0.26 0.86 0.09 0.02 0.00 0.00 176.95 177.73 2qsc n ASN 162 N 3.18 -3.63 -1.55 2.95 3.02 0.51 -1.74 115.26 118.00 2qsc n ASN 162 Ca -0.18 -0.85 -0.19 0.00 -0.03 0.00 0.00 54.58 53.33 2qsc n ASN 162 Cb 0.52 -3.64 -0.07 0.00 -0.61 0.00 0.00 39.78 35.98 2qsc n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2qsc n SER 163 N -2.85 -5.34 0.00 6.41 7.64 -1.26 -2.09 113.62 116.13 2qsc n SER 163 Ca -0.03 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2qsc n SER 163 Cb 0.56 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 59.24 2qsc n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qsc n GLY 164 N -0.66 0.97 0.23 0.23 0.00 -0.71 -4.97 105.19 100.28 2qsc n GLY 164 Ca -0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.98 2qsc n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsc h ALA 165 N 0.00 1.00 -3.78 4.61 0.00 -1.28 -3.41 119.26 116.40 2qsc h ALA 165 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2qsc h ALA 165 Cb 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.41 2qsc h ALA 165 CO 0.00 0.00 -0.79 -1.17 0.00 0.00 0.00 179.25 177.29 2qsc s LEU 166 N -5.74 3.29 0.00 0.00 2.96 -0.90 -4.95 118.68 113.34 2qsc s LEU 166 Ca 0.03 -1.40 0.00 0.00 -0.22 0.00 0.00 54.13 52.54 2qsc s LEU 166 Cb 0.09 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.34 2qsc s LEU 166 CO 0.53 -0.22 0.00 0.35 -1.32 0.00 0.00 176.35 175.69 2qsc n THR 167 N 4.49 0.00 -2.29 3.68 -2.24 -1.26 -4.00 114.28 112.66 2qsc n THR 167 Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2qsc n THR 167 Cb 0.43 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 2qsc n THR 167 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qsc s SER 168 N -4.14 6.91 0.00 3.42 1.04 -1.26 -2.40 113.70 117.27 2qsc s SER 168 Ca 0.00 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.47 2qsc s SER 168 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2qsc s SER 168 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2qsc n GLY 169 N 3.56 2.95 3.74 7.32 0.00 -1.26 -4.86 105.19 116.64 2qsc n GLY 169 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2qsc n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qsc s VAL 171 N -2.69 3.02 -0.26 1.61 1.01 -1.01 -3.04 120.40 119.04 2qsc s VAL 171 Ca 0.00 0.86 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 2qsc s VAL 171 Cb 0.00 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.91 2qsc s VAL 171 CO 0.00 0.14 0.05 -1.00 0.00 0.00 0.00 175.10 174.29 2qsc s HIS 172 N -0.05 1.75 -0.26 5.22 3.76 0.71 -4.98 115.29 121.43 2qsc s HIS 172 Ca 0.56 -1.54 -0.15 0.00 -0.15 0.00 0.00 55.06 53.78 2qsc s HIS 172 Cb -0.38 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 2qsc s HIS 172 CO 0.41 -0.78 0.37 0.99 -0.85 0.00 0.00 174.74 174.88 2qsc s THR 173 N 1.61 5.18 0.31 1.30 2.01 -1.26 -1.25 115.64 123.54 2qsc s THR 173 Ca 0.04 0.57 -0.19 0.00 0.31 0.00 0.00 61.69 62.42 2qsc s THR 173 Cb -0.18 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.55 2qsc s THR 173 CO -0.16 0.17 0.79 -0.36 -0.69 0.00 0.00 174.62 174.37 2qsc s PHE 174 N 2.00 3.50 0.45 4.92 0.08 -0.42 -5.02 117.98 123.49 2qsc s PHE 174 Ca 0.15 1.41 -0.24 0.00 0.12 0.00 0.00 56.93 58.37 2qsc s PHE 174 Cb -0.16 -2.66 -0.09 0.00 -0.57 0.00 0.00 43.02 39.54 2qsc s PHE 174 CO 0.10 0.16 1.12 -2.30 -0.10 0.00 0.00 175.22 174.20 2qsc n PRO 175 N 0.08 1.53 -1.83 0.24 -0.02 -1.26 -4.56 135.00 129.17 2qsc n PRO 175 Ca 0.02 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 2qsc n PRO 175 Cb 0.52 -2.22 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 2qsc n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qsc s ALA 176 N -1.28 2.44 -0.07 3.55 0.00 -1.26 -4.81 121.76 120.33 2qsc s ALA 176 Ca 0.65 0.80 0.02 0.00 0.00 0.00 0.00 51.96 53.42 2qsc s ALA 176 Cb -0.51 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2qsc s ALA 176 CO 0.55 -1.31 -0.10 0.14 0.00 0.00 0.00 175.76 175.04 2qsc s VAL 177 N -1.95 3.40 -0.48 0.00 -7.23 0.65 -4.93 120.40 109.86 2qsc s VAL 177 Ca 0.73 -0.58 -0.27 0.00 -1.81 0.00 0.00 61.98 60.05 2qsc s VAL 177 Cb -0.26 -2.38 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2qsc s VAL 177 CO 0.38 0.58 1.00 -0.22 -0.31 0.00 0.00 175.10 176.53 2qsc s LEU 178 N -0.59 3.88 0.69 1.32 2.96 -1.26 -2.04 118.68 123.63 2qsc s LEU 178 Ca 0.09 0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 54.07 2qsc s LEU 178 Cb -0.12 -3.27 0.01 0.00 0.50 0.00 0.00 46.19 43.31 2qsc s LEU 178 CO 0.02 -1.15 1.06 -1.10 -1.32 0.00 0.00 176.35 173.86 2qsc s GLN 179 N 4.04 2.95 0.35 1.98 -0.21 -0.62 -4.92 119.66 123.23 2qsc s GLN 179 Ca 0.40 0.95 0.24 0.00 0.02 0.00 0.00 55.36 56.97 2qsc s GLN 179 Cb -0.09 -1.99 1.28 0.00 1.00 0.00 0.00 33.01 33.20 2qsc s GLN 179 CO 0.27 -1.09 1.73 0.66 -2.12 0.00 0.00 175.29 174.75 2qsc h SER 180 N -0.71 0.00 1.46 5.90 4.64 -1.96 0.56 113.55 123.44 2qsc h SER 180 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2qsc h SER 180 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2qsc h SER 180 CO 0.57 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.30 2qsc h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.02 -3.47 113.55 117.68 2qsc h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qsc h SER 182 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2qsc h SER 182 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2qsc n GLY 183 N 0.76 0.42 3.91 -0.77 0.00 0.19 -5.07 105.19 104.63 2qsc n GLY 183 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2qsc n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qsc s LEU 184 N 0.00 4.28 0.48 0.99 1.43 -1.26 -4.84 118.68 119.76 2qsc s LEU 184 Ca 0.00 0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 2qsc s LEU 184 Cb 0.00 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 2qsc s LEU 184 CO 0.00 0.06 0.78 -0.31 0.23 0.00 0.00 176.35 177.11 2qsc s TYR 185 N -1.68 3.56 -0.27 0.29 1.51 0.36 -1.59 117.35 119.53 2qsc s TYR 185 Ca 0.38 0.79 -0.24 0.00 -1.01 0.00 0.00 57.07 57.00 2qsc s TYR 185 Cb -0.12 -2.29 0.08 0.00 -0.11 0.00 0.00 41.96 39.52 2qsc s TYR 185 CO 0.27 -0.27 0.75 0.45 -1.11 0.00 0.00 175.55 175.64 2qsc s SER 186 N -4.11 -0.75 0.15 2.29 0.15 -0.87 -1.48 113.70 109.08 2qsc s SER 186 Ca 0.47 1.40 -0.08 0.00 0.70 0.00 0.00 55.95 58.44 2qsc s SER 186 Cb -0.10 1.40 -0.01 0.00 -1.71 0.00 0.00 66.02 65.60 2qsc s SER 186 CO 0.45 -0.24 0.25 -1.48 1.20 0.00 0.00 173.24 173.42 2qsc s LEU 187 N 0.57 1.11 0.08 3.45 0.05 0.09 -0.25 118.68 123.78 2qsc s LEU 187 Ca -0.01 -0.84 0.09 0.00 0.05 0.00 0.00 54.13 53.42 2qsc s LEU 187 Cb -0.05 1.11 -0.03 0.00 -2.05 0.00 0.00 46.19 45.17 2qsc s LEU 187 CO -0.03 -0.85 -0.25 -0.44 -0.55 0.00 0.00 176.35 174.24 2qsc s SER 188 N -2.95 2.99 -0.13 1.48 0.01 -1.26 -0.24 113.70 113.60 2qsc s SER 188 Ca 0.15 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.79 2qsc s SER 188 Cb 0.04 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.05 2qsc s SER 188 CO -0.02 0.19 -0.19 -0.55 0.41 0.00 0.00 173.24 173.07 2qsc s SER 189 N -1.58 2.83 0.29 2.44 0.15 -0.24 -1.30 113.70 116.30 2qsc s SER 189 Ca 0.11 -0.53 0.08 0.00 0.70 0.00 0.00 55.95 56.31 2qsc s SER 189 Cb -0.10 -1.30 -0.06 0.00 -1.71 0.00 0.00 66.02 62.86 2qsc s SER 189 CO 0.04 0.05 -0.10 0.68 1.20 0.00 0.00 173.24 175.11 2qsc s VAL 190 N 0.88 1.94 -0.04 4.45 -7.23 -0.38 0.21 120.40 120.24 2qsc s VAL 190 Ca -0.07 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 57.86 2qsc s VAL 190 Cb -0.15 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.34 2qsc s VAL 190 CO -0.02 -0.31 0.12 0.54 -0.31 0.00 0.00 175.10 175.12 2qsc s VAL 191 N -2.82 0.01 -0.36 1.32 0.11 0.50 -0.21 120.40 118.95 2qsc s VAL 191 Ca 0.30 -0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.23 2qsc s VAL 191 Cb 0.02 -0.20 0.05 0.00 -1.53 0.00 0.00 36.38 34.73 2qsc s VAL 191 CO 0.13 -0.03 0.13 0.42 -3.33 0.00 0.00 175.10 172.42 2qsc s THR 192 N -0.05 3.74 -0.15 5.04 -4.23 -1.17 -1.80 115.64 117.02 2qsc s THR 192 Ca -0.01 -1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 59.19 2qsc s THR 192 Cb -0.01 -3.19 0.04 0.00 1.34 0.00 0.00 72.50 70.67 2qsc s THR 192 CO 0.00 -0.28 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.08 2qsc s VAL 193 N 1.36 0.85 0.54 2.29 1.01 0.22 -4.78 120.40 121.90 2qsc s VAL 193 Ca -0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 2qsc s VAL 193 Cb -0.21 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2qsc s VAL 193 CO 0.02 0.11 1.22 -2.84 0.00 0.00 0.00 175.10 173.60 2qsc s PRO 194 N 1.74 3.28 0.49 2.72 0.02 -1.26 -2.98 135.00 139.00 2qsc s PRO 194 Ca 0.02 1.88 0.07 0.00 0.02 0.00 0.00 61.00 62.99 2qsc s PRO 194 Cb -0.15 -2.15 0.01 0.00 0.02 0.00 0.00 34.50 32.23 2qsc s PRO 194 CO -0.07 -0.98 0.40 -1.54 -0.33 0.00 0.00 177.00 174.48 2qsc s SER 195 N -1.40 4.79 0.00 2.53 1.04 -1.26 -4.88 113.70 114.53 2qsc s SER 195 Ca 0.72 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2qsc s SER 195 Cb -0.32 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2qsc s SER 195 CO 0.36 -0.90 0.00 0.35 0.98 0.00 0.00 173.24 174.03 2qsc n THR 200 N -1.67 0.00 -3.20 2.02 -2.24 -1.26 -5.15 114.28 102.78 2qsc n THR 200 Ca 0.02 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.34 2qsc n THR 200 Cb 0.63 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 2qsc n THR 200 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2qsc s GLN 203 N 0.00 3.63 0.66 -0.78 -0.44 -1.26 -5.04 119.66 116.43 2qsc s GLN 203 Ca 0.00 -2.27 -0.10 0.00 -2.50 0.00 0.00 55.36 50.49 2qsc s GLN 203 Cb 0.00 -4.60 -0.00 0.00 -1.64 0.00 0.00 33.01 26.77 2qsc s GLN 203 CO 0.00 -1.45 1.05 0.95 0.50 0.00 0.00 175.29 176.34 2qsc s THR 205 N 0.92 3.83 -0.20 -0.34 -4.23 -1.26 -5.08 115.64 109.28 2qsc s THR 205 Ca 0.23 0.50 -0.00 0.00 -1.18 0.00 0.00 61.69 61.24 2qsc s THR 205 Cb -0.08 -3.58 0.05 0.00 1.34 0.00 0.00 72.50 70.23 2qsc s THR 205 CO -0.09 -0.73 -0.05 -0.31 -0.54 0.00 0.00 174.62 172.90 2qsc s TYR 206 N -3.25 2.02 -0.19 3.99 2.02 -1.26 -5.01 117.35 115.66 2qsc s TYR 206 Ca 0.56 -1.42 -0.01 0.00 -0.37 0.00 0.00 57.07 55.83 2qsc s TYR 206 Cb -0.11 -1.44 0.01 0.00 -0.40 0.00 0.00 41.96 40.02 2qsc s TYR 206 CO 0.51 -0.70 -0.14 0.99 -1.57 0.00 0.00 175.55 174.64 2qsc s THR 207 N 1.53 2.57 0.20 -0.71 2.01 -1.26 -1.56 115.64 118.41 2qsc s THR 207 Ca -0.03 -0.77 -0.19 0.00 0.31 0.00 0.00 61.69 61.01 2qsc s THR 207 Cb -0.17 -2.12 -0.08 0.00 0.01 0.00 0.00 72.50 70.14 2qsc s THR 207 CO -0.07 0.50 0.69 0.00 -0.69 0.00 0.00 174.62 175.05 2qsc s ASN 209 N -1.59 4.33 -0.17 0.00 -0.87 0.15 -1.40 114.94 115.39 2qsc s ASN 209 Ca 0.41 -1.21 -0.06 0.00 -1.57 0.00 0.00 52.86 50.43 2qsc s ASN 209 Cb -0.17 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.25 39.44 2qsc s ASN 209 CO 0.21 -0.17 0.03 -0.69 -2.57 0.00 0.00 177.10 173.91 2qsc s VAL 210 N 1.18 4.49 -0.18 1.60 1.01 0.80 -1.69 120.40 127.61 2qsc s VAL 210 Ca -0.05 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2qsc s VAL 210 Cb -0.19 -3.00 0.04 0.00 0.00 0.00 0.00 36.38 33.23 2qsc s VAL 210 CO -0.05 0.48 -0.12 -0.62 0.00 0.00 0.00 175.10 174.79 2qsc s ASP 211 N 0.26 3.17 -0.35 3.32 -1.08 -0.31 -1.40 116.67 120.29 2qsc s ASP 211 Ca 0.02 -0.76 0.03 0.00 -0.52 0.00 0.00 52.55 51.32 2qsc s ASP 211 Cb -0.13 -1.22 0.10 0.00 -1.46 0.00 0.00 42.92 40.21 2qsc s ASP 211 CO 0.01 -0.11 0.07 -2.28 0.52 0.00 0.00 175.17 173.38 2qsc s HIS 212 N 1.42 3.40 0.15 -5.34 5.65 -0.14 -1.58 115.29 118.85 2qsc s HIS 212 Ca 0.01 -2.82 -0.09 0.00 0.25 0.00 0.00 55.06 52.41 2qsc s HIS 212 Cb -0.15 -2.73 -0.03 0.00 -1.18 0.00 0.00 32.58 28.49 2qsc s HIS 212 CO -0.09 -0.92 1.43 0.87 -0.65 0.00 0.00 174.74 175.37 2qsc h LYS 213 N 7.60 0.75 -0.68 2.88 1.57 -1.80 -0.44 116.57 126.46 2qsc h LYS 213 Ca -0.06 -0.50 0.20 0.00 -1.87 0.00 0.00 60.65 58.42 2qsc h LYS 213 Cb 1.01 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2qsc h LYS 213 CO 0.52 1.12 0.55 -1.35 -0.57 0.00 0.00 179.45 179.73 2qsc h PRO 214 N 0.57 0.00 -0.32 3.15 0.11 -1.88 0.58 132.00 134.20 2qsc h PRO 214 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qsc h PRO 214 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qsc h PRO 214 CO 0.12 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.78 2qsc n SER 215 N -4.07 2.93 -4.16 -2.05 3.41 -1.19 -4.83 113.62 103.66 2qsc n SER 215 Ca 0.14 -2.07 -0.30 0.00 -0.26 0.00 0.00 58.87 56.38 2qsc n SER 215 Cb 0.81 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 2qsc n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qsc n ASN 216 N 0.39 -0.33 -4.42 4.04 5.03 0.19 -4.94 115.26 115.22 2qsc n ASN 216 Ca 0.12 -1.12 -0.35 0.00 0.87 0.00 0.00 54.58 54.10 2qsc n ASN 216 Cb 0.45 -2.40 -0.13 0.00 -1.02 0.00 0.00 39.78 36.68 2qsc n ASN 216 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2qsc s THR 217 N -3.98 3.78 -0.28 3.41 2.01 -0.20 -5.01 115.64 115.37 2qsc s THR 217 Ca 0.15 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 61.79 2qsc s THR 217 Cb -0.08 -2.70 0.08 0.00 0.01 0.00 0.00 72.50 69.81 2qsc s THR 217 CO 0.94 0.44 0.03 -0.54 -0.69 0.00 0.00 174.62 174.80 2qsc s LYS 218 N 1.00 1.22 -0.13 4.92 1.02 -1.26 -0.97 119.74 125.54 2qsc s LYS 218 Ca 0.01 -1.19 -0.01 0.00 0.02 0.00 0.00 55.97 54.80 2qsc s LYS 218 Cb -0.14 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 2qsc s LYS 218 CO 0.01 -0.81 -0.10 0.08 -0.92 0.00 0.00 175.35 173.61 2qsc s VAL 219 N 1.38 3.33 -0.04 3.17 1.01 -0.49 -4.99 120.40 123.77 2qsc s VAL 219 Ca 0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 2qsc s VAL 219 Cb -0.18 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2qsc s VAL 219 CO -0.13 0.52 -0.00 -1.81 0.00 0.00 0.00 175.10 173.68 2qsc s ASP 220 N 0.28 5.14 -0.11 3.32 1.01 -1.26 -0.14 116.67 124.91 2qsc s ASP 220 Ca -0.08 0.06 -0.03 0.00 0.71 0.00 0.00 52.55 53.21 2qsc s ASP 220 Cb -0.15 -1.39 0.05 0.00 1.01 0.00 0.00 42.92 42.44 2qsc s ASP 220 CO 0.05 0.33 0.07 -0.75 0.21 0.00 0.00 175.17 175.08 2qsc s LYS 221 N -1.21 0.04 0.02 8.23 2.47 -0.49 -5.00 119.74 123.79 2qsc s LYS 221 Ca 0.16 0.11 -0.27 0.00 -1.56 0.00 0.00 55.97 54.42 2qsc s LYS 221 Cb -0.11 -1.24 -0.04 0.00 -1.46 0.00 0.00 37.83 34.97 2qsc s LYS 221 CO 0.06 -0.51 0.86 0.99 0.16 0.00 0.00 175.35 176.91 2qsc s THR 222 N 2.14 4.80 -0.14 3.43 2.01 -1.26 -1.24 115.64 125.37 2qsc s THR 222 Ca 0.03 1.82 -0.07 0.00 0.31 0.00 0.00 61.69 63.78 2qsc s THR 222 Cb -0.14 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2qsc s THR 222 CO -0.06 0.27 0.10 -0.69 -0.69 0.00 0.00 174.62 173.54 2qsc s VAL 223 N 0.48 5.14 0.00 3.82 1.01 -0.60 -4.93 120.40 125.32 2qsc s VAL 223 Ca 0.44 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2qsc s VAL 223 Cb -0.21 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2qsc s VAL 223 CO 0.25 0.55 0.00 -1.84 0.00 0.00 0.00 175.10 174.06