#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr0 s VAL 2 N 0.00 4.79 -0.13 6.31 1.01 -1.26 -4.11 120.40 127.01 2qr0 s VAL 2 Ca 0.00 1.42 -0.25 0.00 0.00 0.00 0.00 61.98 63.15 2qr0 s VAL 2 Cb 0.00 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.43 2qr0 s VAL 2 CO 0.00 0.42 0.61 0.00 0.00 0.00 0.00 175.10 176.13 2qr0 s GLN 3 N -0.29 0.87 -0.07 2.72 -2.07 -0.25 -5.01 119.66 115.56 2qr0 s GLN 3 Ca 0.34 0.48 0.01 0.00 -1.82 0.00 0.00 55.36 54.37 2qr0 s GLN 3 Cb -0.20 0.41 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 2qr0 s GLN 3 CO 0.20 -0.20 -0.08 -0.51 -1.32 0.00 0.00 175.29 173.38 2qr0 s LEU 4 N -0.53 3.08 -0.07 2.60 1.02 -1.26 -1.66 118.68 121.87 2qr0 s LEU 4 Ca -0.06 -0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.04 2qr0 s LEU 4 Cb -0.03 -1.66 0.02 0.00 0.02 0.00 0.00 46.19 44.54 2qr0 s LEU 4 CO 0.05 0.36 -0.06 -0.69 0.02 0.00 0.00 176.35 176.03 2qr0 s VAL 5 N -0.77 0.75 0.25 -1.59 1.01 -0.96 -4.11 120.40 114.98 2qr0 s VAL 5 Ca 0.12 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2qr0 s VAL 5 Cb -0.11 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2qr0 s VAL 5 CO 0.01 0.29 0.18 -1.61 0.00 0.00 0.00 175.10 173.97 2qr0 s GLU 6 N 1.16 2.89 0.18 2.72 2.02 -1.26 0.83 118.70 127.25 2qr0 s GLU 6 Ca -0.07 -1.06 -0.23 0.00 0.02 0.00 0.00 54.97 53.63 2qr0 s GLU 6 Cb -0.14 -2.55 0.06 0.00 0.10 0.00 0.00 34.13 31.60 2qr0 s GLU 6 CO -0.01 0.40 0.72 -1.54 0.02 0.00 0.00 175.26 174.85 2qr0 s SER 7 N -3.78 -0.39 0.00 -0.19 1.04 -0.53 -4.88 113.70 104.97 2qr0 s SER 7 Ca 0.33 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2qr0 s SER 7 Cb -0.08 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2qr0 s SER 7 CO 0.25 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.02 2qr0 n GLY 8 N -0.40 0.46 3.77 7.32 0.00 -1.26 -1.87 105.19 113.21 2qr0 n GLY 8 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2qr0 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qr0 s GLY 9 N -1.33 1.66 0.00 -0.02 0.00 -1.26 -4.62 107.32 101.74 2qr0 s GLY 9 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.83 2qr0 s GLY 9 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.20 2qr0 n GLY 10 N -1.46 -0.54 3.76 0.20 0.00 -0.95 -4.89 105.19 101.30 2qr0 n GLY 10 Ca 0.08 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 2qr0 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qr0 s LEU 11 N 0.00 4.34 -0.06 0.99 0.20 -1.26 -1.15 118.68 121.74 2qr0 s LEU 11 Ca 0.00 0.85 -0.06 0.00 0.69 0.00 0.00 54.13 55.61 2qr0 s LEU 11 Cb 0.00 -2.64 0.02 0.00 -0.43 0.00 0.00 46.19 43.13 2qr0 s LEU 11 CO 0.00 0.12 0.17 0.68 -0.29 0.00 0.00 176.35 177.03 2qr0 s VAL 12 N 0.03 -0.00 0.31 1.68 -7.23 -1.06 -5.00 120.40 109.13 2qr0 s VAL 12 Ca 0.25 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.13 2qr0 s VAL 12 Cb -0.16 -0.24 -0.10 0.00 0.56 0.00 0.00 36.38 36.44 2qr0 s VAL 12 CO 0.11 0.00 1.24 -1.10 -0.31 0.00 0.00 175.10 175.04 2qr0 s GLN 13 N 0.09 4.45 0.43 4.82 -1.52 -1.25 -1.78 119.66 124.91 2qr0 s GLN 13 Ca -0.00 2.07 -0.23 0.00 -1.95 0.00 0.00 55.36 55.25 2qr0 s GLN 13 Cb -0.01 -3.11 -0.11 0.00 -0.22 0.00 0.00 33.01 29.55 2qr0 s GLN 13 CO 0.00 -0.05 0.71 -2.30 -0.25 0.00 0.00 175.29 173.40 2qr0 n PRO 14 N 0.99 0.81 -0.79 2.91 -0.02 -1.26 -0.92 135.00 136.72 2qr0 n PRO 14 Ca -0.00 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2qr0 n PRO 14 Cb 0.43 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2qr0 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qr0 n GLY 15 N 1.58 1.02 3.94 -1.23 0.00 0.26 -4.91 105.19 105.84 2qr0 n GLY 15 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2qr0 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qr0 s GLY 16 N -2.00 1.72 0.30 -0.02 0.00 -0.10 -4.00 107.32 103.22 2qr0 s GLY 16 Ca 0.00 -1.02 0.07 0.00 0.00 0.00 0.00 44.72 43.77 2qr0 s GLY 16 CO 0.00 -0.63 0.26 -0.56 0.00 0.00 0.00 173.10 172.17 2qr0 s SER 17 N -4.51 5.42 -0.29 1.64 0.01 -1.26 -1.92 113.70 112.80 2qr0 s SER 17 Ca 0.60 -0.38 -0.20 0.00 1.31 0.00 0.00 55.95 57.28 2qr0 s SER 17 Cb -0.10 -1.17 0.13 0.00 0.21 0.00 0.00 66.02 65.09 2qr0 s SER 17 CO 0.44 -0.23 0.98 -0.22 0.41 0.00 0.00 173.24 174.62 2qr0 s LEU 18 N -3.94 -0.52 -0.12 2.44 1.98 0.03 -4.99 118.68 113.56 2qr0 s LEU 18 Ca 0.38 0.90 0.03 0.00 -2.89 0.00 0.00 54.13 52.54 2qr0 s LEU 18 Cb -0.07 1.86 0.01 0.00 0.66 0.00 0.00 46.19 48.65 2qr0 s LEU 18 CO 0.26 -0.15 -0.22 -0.60 -1.89 0.00 0.00 176.35 173.76 2qr0 s ARG 19 N 0.87 2.91 -0.07 1.98 3.52 -1.26 -0.23 118.95 126.67 2qr0 s ARG 19 Ca -0.04 -0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 54.73 2qr0 s ARG 19 Cb -0.04 -2.31 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 2qr0 s ARG 19 CO -0.11 0.05 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.91 2qr0 s LEU 20 N 0.67 3.52 -0.11 -0.88 1.43 0.25 -4.57 118.68 118.99 2qr0 s LEU 20 Ca -0.11 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 2qr0 s LEU 20 Cb -0.16 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.24 2qr0 s LEU 20 CO 0.02 0.36 -0.18 -0.44 0.23 0.00 0.00 176.35 176.34 2qr0 s SER 21 N -0.97 2.65 -0.31 2.29 0.01 -0.78 -0.31 113.70 116.27 2qr0 s SER 21 Ca 0.14 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 2qr0 s SER 21 Cb -0.11 -1.21 0.05 0.00 0.21 0.00 0.00 66.02 64.96 2qr0 s SER 21 CO 0.03 0.05 0.03 0.00 0.41 0.00 0.00 173.24 173.76 2qr0 s ALA 23 N 1.26 3.41 0.40 0.00 0.00 0.24 -0.61 121.76 126.47 2qr0 s ALA 23 Ca -0.04 -1.94 -0.22 0.00 0.00 0.00 0.00 51.96 49.76 2qr0 s ALA 23 Cb -0.20 -2.83 -0.11 0.00 0.00 0.00 0.00 23.12 19.99 2qr0 s ALA 23 CO -0.01 -1.57 0.93 0.00 0.00 0.00 0.00 175.76 175.11 2qr0 s ALA 24 N 1.58 3.10 -0.15 0.00 0.00 -0.47 -2.26 121.76 123.56 2qr0 s ALA 24 Ca 0.03 0.41 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 2qr0 s ALA 24 Cb -0.22 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.83 2qr0 s ALA 24 CO 0.06 0.15 0.36 -1.12 0.00 0.00 0.00 175.76 175.21 2qr0 s SER 25 N -2.05 -0.35 0.00 0.00 0.01 -0.66 -4.86 113.70 105.77 2qr0 s SER 25 Ca 0.59 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.63 2qr0 s SER 25 Cb -0.11 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.86 2qr0 s SER 25 CO 0.16 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2qr0 n GLY 26 N 4.47 0.92 3.50 3.44 0.00 -1.26 -1.09 105.19 115.17 2qr0 n GLY 26 Ca -0.21 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 2qr0 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qr0 s PHE 27 N -2.00 -0.59 -0.62 1.61 -0.71 -1.26 -4.60 117.98 109.82 2qr0 s PHE 27 Ca 0.00 0.84 -0.27 0.00 -1.04 0.00 0.00 56.93 56.46 2qr0 s PHE 27 Cb 0.00 0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 42.25 2qr0 s PHE 27 CO 0.00 -0.64 1.77 -0.80 -1.34 0.00 0.00 175.22 174.21 2qr0 s ASN 28 N -1.63 5.43 0.56 1.98 -0.87 -1.26 -4.81 114.94 114.33 2qr0 s ASN 28 Ca -0.06 0.26 0.37 0.00 -1.57 0.00 0.00 52.86 51.86 2qr0 s ASN 28 Cb -0.00 -2.53 1.93 0.00 -0.02 0.00 0.00 41.25 40.62 2qr0 s ASN 28 CO 0.03 -2.27 2.14 0.15 -2.57 0.00 0.00 177.10 174.57 2qr0 h PHE 29 N 14.15 0.00 -0.19 2.20 3.57 -1.92 -1.45 116.94 133.29 2qr0 h PHE 29 Ca -0.26 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.18 2qr0 h PHE 29 Cb 1.15 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 2qr0 h PHE 29 CO 1.05 0.00 -0.10 0.66 -2.23 0.00 0.00 178.31 177.69 2qr0 h SER 30 N 0.00 0.42 -0.52 0.41 4.64 -1.88 -3.30 113.55 113.32 2qr0 h SER 30 Ca 0.00 -0.42 -0.27 0.00 -0.47 0.00 0.00 61.79 60.63 2qr0 h SER 30 Cb 0.11 -0.12 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 2qr0 h SER 30 CO 0.00 0.75 0.34 -1.54 -0.87 0.00 0.00 176.83 175.51 2qr0 n SER 31 N -4.57 3.40 -0.75 4.97 3.41 -0.55 -3.85 113.62 115.67 2qr0 n SER 31 Ca -0.05 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 2qr0 n SER 31 Cb 0.33 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2qr0 n SER 31 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qr0 n SER 32 N -0.36 0.00 -3.80 4.04 3.41 -1.21 -4.99 113.62 110.71 2qr0 n SER 32 Ca 0.31 -0.75 -0.10 0.00 -0.26 0.00 0.00 58.87 58.07 2qr0 n SER 32 Cb 1.12 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 65.01 2qr0 n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qr0 s SER 33 N -0.33 -0.04 -0.02 4.04 1.04 -1.26 -4.26 113.70 112.86 2qr0 s SER 33 Ca 0.00 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 55.88 2qr0 s SER 33 Cb 0.00 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2qr0 s SER 33 CO 0.00 -0.84 -0.12 -0.63 0.98 0.00 0.00 173.24 172.64 2qr0 s ILE 34 N -3.87 0.94 0.10 -1.02 -1.09 -0.78 -2.14 121.20 113.34 2qr0 s ILE 34 Ca 0.08 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 2qr0 s ILE 34 Cb 0.03 -0.80 -0.04 0.00 -1.58 0.00 0.00 42.46 40.07 2qr0 s ILE 34 CO -0.08 0.27 0.13 -1.00 -1.23 0.00 0.00 174.94 173.03 2qr0 s HIS 35 N -0.13 3.26 -0.13 3.97 3.76 0.46 -1.88 115.29 124.60 2qr0 s HIS 35 Ca 0.02 0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 55.00 2qr0 s HIS 35 Cb -0.06 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 2qr0 s HIS 35 CO -0.00 0.53 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.77 2qr0 s TRP 36 N -1.52 2.93 -0.01 1.40 0.52 0.66 -1.20 118.94 121.73 2qr0 s TRP 36 Ca 0.31 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 56.09 2qr0 s TRP 36 Cb -0.12 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.32 2qr0 s TRP 36 CO 0.24 -0.04 -0.09 0.08 0.02 0.00 0.00 176.95 177.15 2qr0 s VAL 37 N 0.18 0.73 0.19 4.03 1.01 0.15 -1.59 120.40 125.11 2qr0 s VAL 37 Ca -0.04 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 61.64 2qr0 s VAL 37 Cb -0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2qr0 s VAL 37 CO 0.04 0.21 -0.19 0.00 0.00 0.00 0.00 175.10 175.15 2qr0 s ARG 38 N -0.19 1.40 -0.20 2.72 1.70 -0.05 0.69 118.95 125.01 2qr0 s ARG 38 Ca 0.03 -1.52 -0.04 0.00 -0.47 0.00 0.00 55.73 53.73 2qr0 s ARG 38 Cb -0.04 -1.48 0.08 0.00 -0.57 0.00 0.00 34.95 32.94 2qr0 s ARG 38 CO -0.00 0.29 0.15 -1.14 -1.08 0.00 0.00 175.30 173.52 2qr0 s GLN 39 N -3.00 0.13 0.51 3.89 0.74 0.05 -1.08 119.66 120.89 2qr0 s GLN 39 Ca 0.20 -0.05 -0.21 0.00 0.05 0.00 0.00 55.36 55.36 2qr0 s GLN 39 Cb -0.05 -1.49 -0.07 0.00 1.10 0.00 0.00 33.01 32.50 2qr0 s GLN 39 CO 0.09 -0.73 1.11 0.00 -0.55 0.00 0.00 175.29 175.21 2qr0 s ALA 40 N 2.21 2.81 -0.21 1.58 0.00 -1.26 -1.13 121.76 125.77 2qr0 s ALA 40 Ca 0.05 0.78 -0.39 0.00 0.00 0.00 0.00 51.96 52.40 2qr0 s ALA 40 Cb -0.16 -3.33 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 2qr0 s ALA 40 CO -0.15 -0.60 1.72 -2.30 0.00 0.00 0.00 175.76 174.44 2qr0 n PRO 41 N -1.00 1.33 0.00 0.00 -0.02 -1.26 -1.46 135.00 132.58 2qr0 n PRO 41 Ca 0.10 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2qr0 n PRO 41 Cb 0.51 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2qr0 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qr0 n GLY 42 N 4.05 1.78 3.66 -1.23 0.00 -1.26 -4.99 105.19 107.20 2qr0 n GLY 42 Ca 0.25 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2qr0 n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qr0 s LYS 43 N 0.00 0.67 0.00 1.61 2.47 -0.54 -5.08 119.74 118.88 2qr0 s LYS 43 Ca 0.00 0.85 0.00 0.00 -1.56 0.00 0.00 55.97 55.26 2qr0 s LYS 43 Cb 0.00 -1.74 0.00 0.00 -1.46 0.00 0.00 37.83 34.63 2qr0 s LYS 43 CO 0.00 -2.65 0.00 0.41 0.16 0.00 0.00 175.35 173.27 2qr0 n GLY 44 N -0.62 -0.24 3.80 5.54 0.00 -1.26 -4.42 105.19 107.99 2qr0 n GLY 44 Ca 0.06 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 2qr0 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qr0 s LEU 45 N 0.00 4.52 -0.02 0.99 1.43 -1.26 -4.08 118.68 120.26 2qr0 s LEU 45 Ca 0.00 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 2qr0 s LEU 45 Cb 0.00 -3.15 0.02 0.00 0.03 0.00 0.00 46.19 43.09 2qr0 s LEU 45 CO 0.00 0.21 0.01 -0.70 0.23 0.00 0.00 176.35 176.10 2qr0 s GLU 46 N -1.27 0.09 0.18 1.70 2.12 -0.24 -5.01 118.70 116.27 2qr0 s GLU 46 Ca 0.34 0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.46 2qr0 s GLU 46 Cb -0.20 -0.27 -0.08 0.00 0.26 0.00 0.00 34.13 33.83 2qr0 s GLU 46 CO 0.22 -0.11 1.21 -0.46 -0.54 0.00 0.00 175.26 175.58 2qr0 s TRP 47 N 0.78 3.40 -0.05 5.30 -0.00 -1.26 -0.88 118.94 126.23 2qr0 s TRP 47 Ca -0.07 1.39 -0.06 0.00 -0.00 0.00 0.00 56.10 57.36 2qr0 s TRP 47 Cb -0.10 -3.46 -0.02 0.00 -0.00 0.00 0.00 33.47 29.89 2qr0 s TRP 47 CO -0.02 -1.31 -0.12 0.28 -0.00 0.00 0.00 176.95 175.78 2qr0 n VAL 48 N 2.58 0.62 -3.71 5.86 0.31 -0.62 -4.70 118.33 118.67 2qr0 n VAL 48 Ca 0.05 0.31 -0.08 0.00 -0.01 0.00 0.00 64.34 64.61 2qr0 n VAL 48 Cb 0.44 -1.74 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 2qr0 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qr0 s ALA 49 N -2.77 -1.45 -0.00 3.52 0.00 -1.15 -0.06 121.76 119.85 2qr0 s ALA 49 Ca -0.10 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 2qr0 s ALA 49 Cb 0.01 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.90 2qr0 s ALA 49 CO 0.15 -0.95 0.03 -0.47 0.00 0.00 0.00 175.76 174.52 2qr0 s TYR 50 N -3.67 0.08 0.01 0.00 5.04 0.91 -0.24 117.35 119.47 2qr0 s TYR 50 Ca 0.08 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.56 2qr0 s TYR 50 Cb -0.03 -0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.20 2qr0 s TYR 50 CO 0.00 -0.13 -0.03 -1.50 -1.34 0.00 0.00 175.55 172.55 2qr0 s ILE 51 N -0.75 0.18 -0.47 3.14 2.07 -0.79 -1.28 121.20 123.31 2qr0 s ILE 51 Ca -0.08 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 2qr0 s ILE 51 Cb -0.05 -0.23 0.15 0.00 0.13 0.00 0.00 42.46 42.46 2qr0 s ILE 51 CO -0.00 -0.21 0.32 -0.47 -1.91 0.00 0.00 174.94 172.67 2qr0 s TYR 52 N -0.72 1.82 0.34 3.50 6.14 -0.44 -1.87 117.35 126.13 2qr0 s TYR 52 Ca -0.07 -2.46 0.10 0.00 0.64 0.00 0.00 57.07 55.28 2qr0 s TYR 52 Cb -0.05 -1.60 0.84 0.00 0.42 0.00 0.00 41.96 41.58 2qr0 s TYR 52 CO -0.00 -0.76 1.80 -1.35 0.64 0.00 0.00 175.55 175.88 2qr0 h PRO 52 N 6.16 0.64 -0.93 4.97 0.11 -1.81 -2.23 132.00 138.90 2qr0 h PRO 52 Ca 0.12 -0.04 0.16 0.00 0.11 0.00 0.00 66.00 66.35 2qr0 h PRO 52 Cb 0.89 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 31.76 2qr0 h PRO 52 CO 0.46 0.42 0.53 1.03 -0.21 0.00 0.00 178.00 180.23 2qr0 h SER 53 N 0.66 0.67 -0.31 -2.05 0.87 -1.82 -1.67 113.55 109.90 2qr0 h SER 53 Ca 0.55 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 61.20 2qr0 h SER 53 Cb 0.99 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2qr0 h SER 53 CO -0.32 0.27 0.00 -1.22 -0.53 0.00 0.00 176.83 175.03 2qr0 n TYR 54 N -4.80 1.11 -3.97 2.24 4.02 -0.86 -4.97 117.16 109.93 2qr0 n TYR 54 Ca 0.20 -0.88 -0.29 0.00 -0.01 0.00 0.00 57.90 56.92 2qr0 n TYR 54 Cb 0.49 -0.35 -0.07 0.00 -0.02 0.00 0.00 39.34 39.39 2qr0 n TYR 54 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2qr0 n SER 55 N -0.38 -0.14 -4.88 7.72 3.41 -0.63 -4.92 113.62 113.81 2qr0 n SER 55 Ca 0.23 -1.03 -0.37 0.00 -0.26 0.00 0.00 58.87 57.44 2qr0 n SER 55 Cb 0.94 -1.29 -0.06 0.00 -0.26 0.00 0.00 64.21 63.54 2qr0 n SER 55 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qr0 s TYR 56 N -3.60 3.61 -0.06 7.33 5.04 -1.19 -5.01 117.35 123.48 2qr0 s TYR 56 Ca 0.28 0.55 -0.09 0.00 -2.44 0.00 0.00 57.07 55.37 2qr0 s TYR 56 Cb -0.16 -1.96 0.02 0.00 0.35 0.00 0.00 41.96 40.21 2qr0 s TYR 56 CO 0.82 0.73 0.22 -0.08 -1.34 0.00 0.00 175.55 175.91 2qr0 s THR 57 N -1.04 0.03 -0.04 4.34 -1.32 -1.26 -1.33 115.64 115.03 2qr0 s THR 57 Ca 0.16 -0.21 -0.08 0.00 -1.21 0.00 0.00 61.69 60.35 2qr0 s THR 57 Cb -0.12 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.49 2qr0 s THR 57 CO 0.05 -0.12 0.18 -0.94 -2.21 0.00 0.00 174.62 171.59 2qr0 s SER 58 N -0.39 -0.11 0.17 8.08 1.04 -0.41 -5.00 113.70 117.08 2qr0 s SER 58 Ca -0.05 0.11 0.09 0.00 0.48 0.00 0.00 55.95 56.58 2qr0 s SER 58 Cb -0.03 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2qr0 s SER 58 CO 0.01 -0.24 -0.18 -0.31 0.98 0.00 0.00 173.24 173.51 2qr0 s TYR 59 N -0.68 1.83 0.30 5.02 1.51 -1.26 -0.07 117.35 124.00 2qr0 s TYR 59 Ca -0.08 -0.47 -0.27 0.00 -1.01 0.00 0.00 57.07 55.24 2qr0 s TYR 59 Cb -0.04 -0.90 -0.10 0.00 -0.11 0.00 0.00 41.96 40.81 2qr0 s TYR 59 CO 0.01 0.35 0.94 0.00 -1.11 0.00 0.00 175.55 175.74 2qr0 s ALA 60 N -2.16 3.25 0.21 3.71 0.00 0.92 -4.80 121.76 122.89 2qr0 s ALA 60 Ca 0.17 0.54 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 2qr0 s ALA 60 Cb -0.05 -3.18 0.25 0.00 0.00 0.00 0.00 23.12 20.13 2qr0 s ALA 60 CO 0.07 0.19 1.61 -0.44 0.00 0.00 0.00 175.76 177.19 2qr0 h ASP 61 N 3.44 -0.69 0.00 0.00 3.45 -1.93 0.31 116.42 121.00 2qr0 h ASP 61 Ca -0.46 0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.20 2qr0 h ASP 61 Cb 1.19 0.44 0.00 0.00 -0.56 0.00 0.00 39.33 40.40 2qr0 h ASP 61 CO 0.66 -0.23 0.08 0.77 -1.57 0.00 0.00 179.24 178.95 2qr0 h SER 62 N -0.02 0.00 0.00 6.45 4.64 -1.96 -2.54 113.55 120.12 2qr0 h SER 62 Ca 0.31 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.54 2qr0 h SER 62 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2qr0 h SER 62 CO -0.69 0.00 -1.36 0.52 -0.87 0.00 0.00 176.83 174.42 2qr0 n VAL 63 N -2.27 0.36 -1.56 0.95 0.31 0.57 -5.01 118.33 111.69 2qr0 n VAL 63 Ca -0.01 -0.22 -0.53 0.00 -0.01 0.00 0.00 64.34 63.56 2qr0 n VAL 63 Cb 0.11 -0.86 -0.06 0.00 -0.91 0.00 0.00 33.84 32.13 2qr0 n VAL 63 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2qr0 n LYS 64 N -2.20 0.83 0.00 5.55 4.81 0.77 -1.13 118.16 126.80 2qr0 n LYS 64 Ca -0.09 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2qr0 n LYS 64 Cb 0.67 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.87 2qr0 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qr0 n GLY 65 N 2.15 3.04 0.13 3.14 0.00 -1.26 -4.82 105.19 107.56 2qr0 n GLY 65 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 2qr0 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qr0 n ARG 66 N -0.49 0.58 -2.98 1.61 1.74 -0.28 -5.00 116.66 111.85 2qr0 n ARG 66 Ca 0.00 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 57.02 2qr0 n ARG 66 Cb 0.00 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.00 2qr0 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qr0 s PHE 67 N -2.47 3.03 -0.23 -1.55 0.40 -1.16 -2.32 117.98 113.69 2qr0 s PHE 67 Ca -0.32 -0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 55.96 2qr0 s PHE 67 Cb 0.09 -2.40 0.13 0.00 0.51 0.00 0.00 43.02 41.35 2qr0 s PHE 67 CO 0.53 -0.46 0.39 0.99 0.70 0.00 0.00 175.22 177.37 2qr0 s THR 68 N -2.51 -0.62 0.06 0.64 2.01 0.20 -4.93 115.64 110.48 2qr0 s THR 68 Ca 0.51 -0.02 -0.26 0.00 0.31 0.00 0.00 61.69 62.23 2qr0 s THR 68 Cb -0.10 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.57 2qr0 s THR 68 CO 0.36 -0.08 0.80 -0.63 -0.69 0.00 0.00 174.62 174.38 2qr0 s ILE 69 N 2.56 4.69 0.32 1.82 1.01 -1.26 -1.14 121.20 129.20 2qr0 s ILE 69 Ca 0.10 1.71 0.03 0.00 0.00 0.00 0.00 60.65 62.50 2qr0 s ILE 69 Cb -0.15 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2qr0 s ILE 69 CO -0.15 0.36 0.16 -0.94 0.00 0.00 0.00 174.94 174.36 2qr0 s SER 70 N -0.06 1.74 -0.23 3.58 1.04 -0.48 -5.01 113.70 114.29 2qr0 s SER 70 Ca 0.40 -1.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.15 2qr0 s SER 70 Cb -0.21 0.39 0.08 0.00 0.10 0.00 0.00 66.02 66.38 2qr0 s SER 70 CO 0.24 -0.89 0.53 0.00 0.98 0.00 0.00 173.24 174.10 2qr0 s ALA 71 N -3.53 -1.45 -0.72 5.32 0.00 -1.26 -0.94 121.76 119.17 2qr0 s ALA 71 Ca 0.34 1.90 -0.16 0.00 0.00 0.00 0.00 51.96 54.05 2qr0 s ALA 71 Cb 0.05 -1.28 0.16 0.00 0.00 0.00 0.00 23.12 22.05 2qr0 s ALA 71 CO 0.18 -0.49 0.73 0.34 0.00 0.00 0.00 175.76 176.52 2qr0 s ASP 72 N 1.93 6.48 0.35 0.00 -1.08 -0.28 -4.92 116.67 119.15 2qr0 s ASP 72 Ca -0.08 -2.13 0.06 0.00 -0.52 0.00 0.00 52.55 49.89 2qr0 s ASP 72 Cb -0.09 -2.25 0.74 0.00 -1.46 0.00 0.00 42.92 39.86 2qr0 s ASP 72 CO -0.16 -0.82 1.91 0.74 0.52 0.00 0.00 175.17 177.36 2qr0 h THR 73 N 5.42 0.94 -0.03 1.71 2.02 -1.97 -1.12 112.91 119.89 2qr0 h THR 73 Ca -0.07 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 66.88 2qr0 h THR 73 Cb 1.06 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2qr0 h THR 73 CO 0.94 0.14 -0.23 -1.28 0.37 0.00 0.00 175.52 175.46 2qr0 h SER 74 N 0.78 -0.68 0.83 4.18 0.87 -1.95 -2.55 113.55 115.03 2qr0 h SER 74 Ca 0.39 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 2qr0 h SER 74 Cb 0.47 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2qr0 h SER 74 CO -0.16 -0.29 0.00 0.29 -0.53 0.00 0.00 176.83 176.14 2qr0 n LYS 75 N -5.35 0.07 -3.18 2.24 4.01 -0.68 -4.91 118.16 110.36 2qr0 n LYS 75 Ca -0.04 0.19 -0.15 0.00 -0.51 0.00 0.00 58.31 57.80 2qr0 n LYS 75 Cb 0.27 -1.60 0.05 0.00 -0.51 0.00 0.00 35.03 33.24 2qr0 n LYS 75 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2qr0 n ASN 76 N -1.72 -4.44 -3.88 4.39 4.05 -0.51 -4.85 115.26 108.30 2qr0 n ASN 76 Ca 0.05 -0.37 -0.13 0.00 0.45 0.00 0.00 54.58 54.58 2qr0 n ASN 76 Cb 0.27 -3.53 -0.14 0.00 1.23 0.00 0.00 39.78 37.61 2qr0 n ASN 76 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2qr0 s THR 77 N -3.22 0.08 0.09 -0.44 2.01 -1.07 -1.36 115.64 111.72 2qr0 s THR 77 Ca 0.33 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.34 2qr0 s THR 77 Cb -0.14 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2qr0 s THR 77 CO 0.49 0.03 0.03 0.00 -0.69 0.00 0.00 174.62 174.47 2qr0 s ALA 78 N 0.05 3.39 0.01 7.40 0.00 0.22 -1.12 121.76 131.70 2qr0 s ALA 78 Ca -0.00 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.92 2qr0 s ALA 78 Cb -0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 2qr0 s ALA 78 CO -0.00 0.72 -0.13 0.71 0.00 0.00 0.00 175.76 177.06 2qr0 s TYR 79 N -1.33 1.15 -0.26 0.00 2.02 -0.11 0.69 117.35 119.50 2qr0 s TYR 79 Ca 0.27 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 2qr0 s TYR 79 Cb -0.12 -0.72 0.06 0.00 -0.40 0.00 0.00 41.96 40.78 2qr0 s TYR 79 CO 0.19 -0.00 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.90 2qr0 s LEU 80 N -0.55 3.44 -0.33 -1.29 2.96 0.57 -1.38 118.68 122.11 2qr0 s LEU 80 Ca 0.04 -1.41 -0.19 0.00 -0.22 0.00 0.00 54.13 52.34 2qr0 s LEU 80 Cb -0.06 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2qr0 s LEU 80 CO 0.00 -0.20 0.55 -1.58 -1.32 0.00 0.00 176.35 173.80 2qr0 s GLN 81 N 1.11 3.76 -0.32 1.98 2.00 -0.29 -0.58 119.66 127.32 2qr0 s GLN 81 Ca -0.08 0.04 -0.05 0.00 -2.00 0.00 0.00 55.36 53.27 2qr0 s GLN 81 Cb -0.20 -3.77 0.04 0.00 0.80 0.00 0.00 33.01 29.88 2qr0 s GLN 81 CO -0.05 -0.59 0.06 -1.64 -0.50 0.00 0.00 175.29 172.57 2qr0 s MET 82 N 2.47 2.60 0.10 1.67 -1.94 0.68 -0.63 119.30 124.25 2qr0 s MET 82 Ca 0.21 -1.18 0.05 0.00 -1.71 0.00 0.00 55.69 53.06 2qr0 s MET 82 Cb -0.15 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 2qr0 s MET 82 CO 0.13 -0.62 0.04 -0.80 -0.01 0.00 0.00 175.02 173.75 2qr0 s ASN 82 N 1.36 5.20 -0.95 3.03 0.01 -0.98 -0.79 114.94 121.82 2qr0 s ASN 82 Ca -0.02 -0.14 -0.00 0.00 -0.71 0.00 0.00 52.86 51.98 2qr0 s ASN 82 Cb -0.19 -1.29 -0.00 0.00 0.41 0.00 0.00 41.25 40.17 2qr0 s ASN 82 CO 0.01 0.16 0.79 -0.24 -1.51 0.00 0.00 177.10 176.31 2qr0 n SER 82 N 0.39 -2.20 -4.77 -1.22 2.88 -0.82 -4.60 113.62 103.28 2qr0 n SER 82 Ca -0.10 -0.50 -0.39 0.00 -1.33 0.00 0.00 58.87 56.56 2qr0 n SER 82 Cb 0.52 -4.19 -0.02 0.00 -0.75 0.00 0.00 64.21 59.78 2qr0 n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2qr0 s LEU 82 N -5.44 4.21 0.48 2.46 1.43 -0.81 -4.60 118.68 116.42 2qr0 s LEU 82 Ca 0.02 2.42 0.04 0.00 -1.03 0.00 0.00 54.13 55.58 2qr0 s LEU 82 Cb -0.00 -3.98 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 2qr0 s LEU 82 CO 0.58 -0.70 0.13 -0.13 0.23 0.00 0.00 176.35 176.45 2qr0 s ARG 83 N -2.25 2.18 0.25 1.70 0.52 -1.26 -0.58 118.95 119.51 2qr0 s ARG 83 Ca 0.57 -2.17 -0.04 0.00 -0.52 0.00 0.00 55.73 53.57 2qr0 s ARG 83 Cb -0.33 -1.76 0.29 0.00 0.52 0.00 0.00 34.95 33.68 2qr0 s ARG 83 CO 0.41 -0.32 1.81 0.00 0.02 0.00 0.00 175.30 177.22 2qr0 h ALA 84 N 1.30 1.14 0.00 2.13 0.00 -1.97 -2.47 119.26 119.39 2qr0 h ALA 84 Ca -0.42 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 2qr0 h ALA 84 Cb 1.29 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qr0 h ALA 84 CO 0.71 0.60 -0.15 1.05 0.00 0.00 0.00 179.25 181.45 2qr0 h GLU 85 N 0.97 0.00 0.00 0.00 9.09 -1.96 -2.70 114.58 119.98 2qr0 h GLU 85 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 2qr0 h GLU 85 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 2qr0 h GLU 85 CO -0.01 0.15 0.00 -0.25 0.05 0.00 0.00 179.01 178.95 2qr0 n ASP 86 N -3.58 0.00 -4.66 3.06 8.00 -0.93 -4.69 116.55 113.75 2qr0 n ASP 86 Ca -0.01 0.40 -0.42 0.00 0.71 0.00 0.00 54.79 55.47 2qr0 n ASP 86 Cb 0.29 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 2qr0 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qr0 s THR 87 N -2.91 3.13 0.08 -3.53 2.01 -1.02 -4.84 115.64 108.56 2qr0 s THR 87 Ca 0.09 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 62.04 2qr0 s THR 87 Cb 0.10 -3.13 0.09 0.00 0.01 0.00 0.00 72.50 69.56 2qr0 s THR 87 CO 0.26 -0.02 1.16 0.00 -0.69 0.00 0.00 174.62 175.34 2qr0 s ALA 88 N 4.19 -2.03 -0.25 7.40 0.00 -0.41 -4.65 121.76 126.02 2qr0 s ALA 88 Ca 0.84 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.64 2qr0 s ALA 88 Cb -0.41 0.77 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 2qr0 s ALA 88 CO 0.38 -1.10 0.15 0.08 0.00 0.00 0.00 175.76 175.27 2qr0 s VAL 89 N -2.18 5.17 -0.30 0.00 1.01 -0.28 -1.25 120.40 122.56 2qr0 s VAL 89 Ca 0.24 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 2qr0 s VAL 89 Cb -0.01 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2qr0 s VAL 89 CO 0.02 0.33 0.16 -0.31 0.00 0.00 0.00 175.10 175.30 2qr0 s TYR 90 N 1.26 3.18 -0.10 5.22 1.51 0.10 -0.77 117.35 127.75 2qr0 s TYR 90 Ca 0.07 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.75 2qr0 s TYR 90 Cb -0.14 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 2qr0 s TYR 90 CO 0.06 -0.37 -0.01 0.71 -1.11 0.00 0.00 175.55 174.83 2qr0 s TYR 91 N 1.66 3.10 -0.07 2.71 1.51 0.22 -1.95 117.35 124.54 2qr0 s TYR 91 Ca 0.06 0.09 -0.02 0.00 -1.01 0.00 0.00 57.07 56.18 2qr0 s TYR 91 Cb -0.17 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2qr0 s TYR 91 CO 0.07 0.36 0.05 0.00 -1.11 0.00 0.00 175.55 174.93 2qr0 s ALA 93 N -1.01 -0.39 0.49 0.00 0.00 -0.35 -0.81 121.76 119.69 2qr0 s ALA 93 Ca 0.17 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 2qr0 s ALA 93 Cb -0.12 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 2qr0 s ALA 93 CO 0.06 -0.11 0.89 -0.98 0.00 0.00 0.00 175.76 175.62 2qr0 s ARG 94 N 0.44 3.77 -0.15 0.00 1.04 -0.35 -0.41 118.95 123.29 2qr0 s ARG 94 Ca -0.03 0.63 -0.12 0.00 -1.04 0.00 0.00 55.73 55.18 2qr0 s ARG 94 Cb -0.04 -2.25 -0.05 0.00 -2.04 0.00 0.00 34.95 30.57 2qr0 s ARG 94 CO -0.02 -0.23 0.23 -0.47 -0.04 0.00 0.00 175.30 174.77 2qr0 s TYR 95 N -2.65 3.49 0.23 5.89 5.04 -0.91 -2.64 117.35 125.80 2qr0 s TYR 95 Ca 0.54 0.54 0.04 0.00 -2.44 0.00 0.00 57.07 55.74 2qr0 s TYR 95 Cb -0.10 -2.22 0.04 0.00 0.35 0.00 0.00 41.96 40.02 2qr0 s TYR 95 CO 0.37 0.36 0.31 0.98 -1.34 0.00 0.00 175.55 176.23 2qr0 n TYR 96 N 3.18 -2.71 -1.69 4.97 9.36 0.13 -4.84 117.16 125.56 2qr0 n TYR 96 Ca -0.14 -0.82 -0.50 0.00 3.32 0.00 0.00 57.90 59.75 2qr0 n TYR 96 Cb 0.52 -0.21 -0.05 0.00 -0.63 0.00 0.00 39.34 38.97 2qr0 n TYR 96 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2qr0 n GLY 97 N 2.25 1.36 2.31 2.98 0.00 -1.26 -2.49 105.19 110.34 2qr0 n GLY 97 Ca 0.06 0.87 -0.17 0.00 0.00 0.00 0.00 46.02 46.79 2qr0 n GLY 97 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qr0 n THR 98 N 5.05 -0.08 0.00 2.61 5.66 -1.26 -4.59 114.28 121.67 2qr0 n THR 98 Ca 0.23 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 2qr0 n THR 98 Cb 0.27 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.36 2qr0 n THR 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qr0 n GLY 99 N -0.37 0.72 0.81 1.09 0.00 -1.04 -5.17 105.19 101.24 2qr0 n GLY 99 Ca -0.17 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.77 2qr0 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr0 n ALA 100 N -1.00 -1.94 -3.48 4.61 0.00 -1.26 -3.38 120.51 114.06 2qr0 n ALA 100 Ca 0.00 0.47 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 2qr0 n ALA 100 Cb 0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 19.45 18.37 2qr0 n ALA 100 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2qr0 s MET 100 N -3.95 1.83 -0.26 0.00 1.00 -1.26 0.19 119.30 116.85 2qr0 s MET 100 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 55.69 55.20 2qr0 s MET 100 Cb 0.00 -1.52 -0.14 0.00 0.00 0.00 0.00 34.83 33.17 2qr0 s MET 100 CO 0.00 0.02 -0.27 -0.40 0.00 0.00 0.00 175.02 174.37 2qr0 n ASP 101 N 3.88 2.00 -4.33 3.03 5.75 -1.08 -4.90 116.55 120.89 2qr0 n ASP 101 Ca -0.22 0.04 -0.34 0.00 -0.01 0.00 0.00 54.79 54.26 2qr0 n ASP 101 Cb 0.52 -0.54 -0.14 0.00 -1.03 0.00 0.00 41.12 39.93 2qr0 n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2qr0 s TYR 102 N -2.49 2.91 0.12 2.11 1.51 -1.26 -5.02 117.35 115.23 2qr0 s TYR 102 Ca -0.35 -0.83 0.08 0.00 -1.01 0.00 0.00 57.07 54.96 2qr0 s TYR 102 Cb 0.11 -2.00 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2qr0 s TYR 102 CO 0.53 -0.41 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.86 2qr0 s TRP 103 N 1.01 2.65 0.72 2.71 0.52 -1.26 -1.21 118.94 124.08 2qr0 s TRP 103 Ca -0.00 -0.21 -0.11 0.00 0.02 0.00 0.00 56.10 55.80 2qr0 s TRP 103 Cb -0.15 -1.37 0.02 0.00 -1.15 0.00 0.00 33.47 30.82 2qr0 s TRP 103 CO -0.01 0.43 1.08 0.20 0.02 0.00 0.00 176.95 178.68 2qr0 s GLY 104 N -2.31 1.64 0.53 0.98 0.00 0.01 -4.60 107.32 103.56 2qr0 s GLY 104 Ca 0.21 -0.21 0.18 0.00 0.00 0.00 0.00 44.72 44.90 2qr0 s GLY 104 CO 0.13 0.16 2.15 0.06 0.00 0.00 0.00 173.10 175.60 2qr0 h GLN 105 N -0.75 0.00 0.00 2.90 -0.00 -1.91 -3.45 115.11 111.90 2qr0 h GLN 105 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2qr0 h GLN 105 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 2qr0 h GLN 105 CO 0.61 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.85 2qr0 n GLY 106 N -1.52 0.20 3.70 0.06 0.00 -1.26 -5.04 105.19 101.33 2qr0 n GLY 106 Ca -0.02 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 2qr0 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qr0 s THR 107 N -0.49 4.20 -0.39 2.61 -4.23 -0.82 -4.88 115.64 111.64 2qr0 s THR 107 Ca 0.00 -0.71 -0.16 0.00 -1.18 0.00 0.00 61.69 59.64 2qr0 s THR 107 Cb 0.00 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.92 2qr0 s THR 107 CO 0.00 0.28 0.38 -0.22 -0.54 0.00 0.00 174.62 174.51 2qr0 s LEU 108 N -1.87 4.75 -0.28 4.79 1.98 -1.26 0.00 118.68 126.79 2qr0 s LEU 108 Ca 0.23 -0.56 -0.10 0.00 -2.89 0.00 0.00 54.13 50.81 2qr0 s LEU 108 Cb -0.12 -2.32 -0.04 0.00 0.66 0.00 0.00 46.19 44.38 2qr0 s LEU 108 CO 0.14 -0.46 0.17 -0.69 -1.89 0.00 0.00 176.35 173.62 2qr0 s VAL 109 N 1.99 5.04 -0.27 1.68 1.01 -0.38 -2.25 120.40 127.23 2qr0 s VAL 109 Ca 0.10 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2qr0 s VAL 109 Cb -0.17 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.84 2qr0 s VAL 109 CO 0.12 0.22 -0.05 0.28 0.00 0.00 0.00 175.10 175.67 2qr0 s THR 110 N 1.71 1.88 -0.34 3.92 -1.32 -0.30 -1.28 115.64 119.90 2qr0 s THR 110 Ca 0.07 -1.58 -0.22 0.00 -1.21 0.00 0.00 61.69 58.74 2qr0 s THR 110 Cb -0.16 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 2qr0 s THR 110 CO 0.09 -0.18 0.72 -0.69 -2.21 0.00 0.00 174.62 172.35 2qr0 s VAL 111 N 1.21 4.82 -0.00 5.08 1.01 -1.26 -2.58 120.40 128.67 2qr0 s VAL 111 Ca -0.04 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.50 2qr0 s VAL 111 Cb -0.19 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.13 2qr0 s VAL 111 CO -0.07 -0.33 0.69 -0.55 0.00 0.00 0.00 175.10 174.84 2qr0 s SER 112 N 1.76 -0.61 0.00 3.32 0.15 -0.73 -4.75 113.70 112.84 2qr0 s SER 112 Ca 0.29 0.49 0.28 0.00 0.70 0.00 0.00 55.95 57.70 2qr0 s SER 112 Cb -0.14 0.53 1.08 0.00 -1.71 0.00 0.00 66.02 65.79 2qr0 s SER 112 CO 0.15 -0.68 1.80 -1.54 1.20 0.00 0.00 173.24 174.16 2qr0 n SER 113 N 0.52 0.24 -4.68 5.45 3.41 -1.26 -3.83 113.62 113.48 2qr0 n SER 113 Ca -0.17 -0.02 -0.30 0.00 -0.26 0.00 0.00 58.87 58.12 2qr0 n SER 113 Cb 0.59 -0.19 0.15 0.00 -0.26 0.00 0.00 64.21 64.51 2qr0 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qr0 s ALA 114 N -2.83 1.31 0.73 7.33 0.00 -1.26 -5.01 121.76 122.04 2qr0 s ALA 114 Ca 0.18 0.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 2qr0 s ALA 114 Cb 0.19 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 20.10 2qr0 s ALA 114 CO 0.55 -2.57 1.11 -1.12 0.00 0.00 0.00 175.76 173.73 2qr0 s SER 115 N -3.20 5.17 -0.17 0.00 0.01 -1.26 -5.03 113.70 109.22 2qr0 s SER 115 Ca 0.64 1.12 -0.14 0.00 1.31 0.00 0.00 55.95 58.88 2qr0 s SER 115 Cb -0.19 -1.87 -0.05 0.00 0.21 0.00 0.00 66.02 64.12 2qr0 s SER 115 CO 0.58 -1.52 0.30 -0.89 0.41 0.00 0.00 173.24 172.12 2qr0 s THR 116 N -3.35 5.29 -0.06 1.44 2.01 -1.26 -4.74 115.64 114.97 2qr0 s THR 116 Ca 0.59 0.55 0.03 0.00 0.31 0.00 0.00 61.69 63.17 2qr0 s THR 116 Cb -0.12 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.76 2qr0 s THR 116 CO 0.52 0.36 -0.14 -0.54 -0.69 0.00 0.00 174.62 174.13 2qr0 s LYS 117 N 0.63 1.80 0.41 4.92 -0.14 -0.74 -4.97 119.74 121.65 2qr0 s LYS 117 Ca 0.16 -0.49 -0.16 0.00 -1.36 0.00 0.00 55.97 54.12 2qr0 s LYS 117 Cb -0.13 -1.49 -0.09 0.00 -1.68 0.00 0.00 37.83 34.44 2qr0 s LYS 117 CO 0.04 0.09 0.86 0.20 -0.76 0.00 0.00 175.35 175.78 2qr0 s GLY 118 N 0.48 2.24 0.44 -3.33 0.00 -1.26 -1.67 107.32 104.21 2qr0 s GLY 118 Ca -0.12 0.15 -0.21 0.00 0.00 0.00 0.00 44.72 44.54 2qr0 s GLY 118 CO 0.04 0.39 0.96 2.56 0.00 0.00 0.00 173.10 177.05 2qr0 s PRO 119 N -3.40 4.16 -0.02 2.90 0.04 -1.26 -4.63 135.00 132.79 2qr0 s PRO 119 Ca 0.57 1.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 2qr0 s PRO 119 Cb -0.10 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2qr0 s PRO 119 CO 0.21 -0.09 0.43 -1.12 0.04 0.00 0.00 177.00 176.47 2qr0 s SER 120 N -2.20 6.80 -0.21 6.66 0.01 -0.63 -4.94 113.70 119.20 2qr0 s SER 120 Ca 0.63 0.95 -0.00 0.00 1.31 0.00 0.00 55.95 58.83 2qr0 s SER 120 Cb -0.10 -2.26 0.02 0.00 0.21 0.00 0.00 66.02 63.88 2qr0 s SER 120 CO 0.15 0.26 -0.13 -0.69 0.41 0.00 0.00 173.24 173.24 2qr0 s VAL 121 N -0.74 2.53 -0.04 3.43 1.01 -1.26 -1.10 120.40 124.23 2qr0 s VAL 121 Ca 0.24 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.38 2qr0 s VAL 121 Cb -0.17 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2qr0 s VAL 121 CO 0.13 0.41 -0.21 -0.36 0.00 0.00 0.00 175.10 175.06 2qr0 s PHE 122 N 1.33 2.49 0.20 5.22 0.08 -0.14 -4.97 117.98 122.19 2qr0 s PHE 122 Ca 0.03 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.40 2qr0 s PHE 122 Cb -0.14 -1.57 -0.08 0.00 -0.57 0.00 0.00 43.02 40.66 2qr0 s PHE 122 CO -0.09 0.01 0.94 -1.25 -0.10 0.00 0.00 175.22 174.74 2qr0 s PRO 123 N -0.57 4.81 -0.76 0.24 0.04 -1.26 0.04 135.00 137.53 2qr0 s PRO 123 Ca 0.08 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 2qr0 s PRO 123 Cb -0.11 -3.31 0.16 0.00 0.04 0.00 0.00 34.50 31.29 2qr0 s PRO 123 CO 0.00 0.44 0.81 -0.51 0.04 0.00 0.00 177.00 177.78 2qr0 s LEU 124 N -0.86 5.97 0.26 -3.56 1.43 0.11 -4.86 118.68 117.18 2qr0 s LEU 124 Ca 0.43 -2.14 -0.29 0.00 -1.03 0.00 0.00 54.13 51.09 2qr0 s LEU 124 Cb -0.25 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 2qr0 s LEU 124 CO 0.31 -0.85 0.99 0.00 0.23 0.00 0.00 176.35 177.03 2qr0 s ALA 125 N 1.52 3.34 0.82 4.21 0.00 -1.26 -1.42 121.76 128.97 2qr0 s ALA 125 Ca 0.18 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 2qr0 s ALA 125 Cb -0.14 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.81 2qr0 s ALA 125 CO -0.04 0.08 1.10 -1.25 0.00 0.00 0.00 175.76 175.65 2qr0 s PRO 126 N -1.38 1.93 0.00 0.00 0.04 -1.26 -4.96 135.00 129.38 2qr0 s PRO 126 Ca 0.43 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2qr0 s PRO 126 Cb -0.27 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2qr0 s PRO 126 CO 0.34 -1.72 0.00 0.45 0.04 0.00 0.00 177.00 176.10 2qr0 n SER 127 N -3.50 0.00 -4.51 6.66 2.88 -1.26 -4.71 113.62 109.18 2qr0 n SER 127 Ca 0.07 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.30 2qr0 n SER 127 Cb 0.56 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.91 2qr0 n SER 127 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qr0 s SER 128 N 0.37 4.10 0.00 -3.46 0.01 -1.26 -5.07 113.70 108.38 2qr0 s SER 128 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2qr0 s SER 128 Cb 0.00 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2qr0 s SER 128 CO 0.00 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2qr0 n GLY 134 N 1.59 0.00 3.17 3.44 0.00 -1.26 -5.02 105.19 107.11 2qr0 n GLY 134 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2qr0 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qr0 s THR 135 N 0.00 1.81 -0.06 2.61 2.01 -1.26 -3.32 115.64 117.43 2qr0 s THR 135 Ca 0.00 -0.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 2qr0 s THR 135 Cb 0.00 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 2qr0 s THR 135 CO 0.00 0.51 -0.03 0.00 -0.69 0.00 0.00 174.62 174.41 2qr0 s ALA 136 N 0.36 3.17 0.04 7.40 0.00 0.15 -4.88 121.76 128.01 2qr0 s ALA 136 Ca -0.16 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 50.99 2qr0 s ALA 136 Cb -0.17 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 2qr0 s ALA 136 CO 0.07 0.59 -0.12 0.00 0.00 0.00 0.00 175.76 176.30 2qr0 s ALA 137 N -0.90 2.82 0.24 0.00 0.00 -1.26 -0.38 121.76 122.28 2qr0 s ALA 137 Ca 0.14 -1.15 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 2qr0 s ALA 137 Cb -0.11 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.12 2qr0 s ALA 137 CO 0.03 0.60 0.56 -0.48 0.00 0.00 0.00 175.76 176.48 2qr0 s LEU 138 N -1.62 0.08 0.00 0.00 0.05 -0.26 -4.07 118.68 112.86 2qr0 s LEU 138 Ca 0.17 -0.71 -0.03 0.00 0.05 0.00 0.00 54.13 53.61 2qr0 s LEU 138 Cb -0.11 2.16 0.01 0.00 -2.05 0.00 0.00 46.19 46.21 2qr0 s LEU 138 CO 0.08 -1.18 0.14 0.61 -0.55 0.00 0.00 176.35 175.45 2qr0 n GLY 139 N -0.39 0.84 3.20 -3.48 0.00 -0.51 0.76 105.19 105.61 2qr0 n GLY 139 Ca -0.05 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 2qr0 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr0 s LEU 141 N -0.35 3.64 -0.66 0.00 2.96 0.11 -0.08 118.68 124.30 2qr0 s LEU 141 Ca 0.05 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 2qr0 s LEU 141 Cb -0.09 -1.99 0.17 0.00 0.50 0.00 0.00 46.19 44.79 2qr0 s LEU 141 CO 0.00 -0.03 0.49 -0.69 -1.32 0.00 0.00 176.35 174.81 2qr0 s VAL 142 N 1.58 4.01 0.03 1.68 1.01 0.25 -0.96 120.40 128.01 2qr0 s VAL 142 Ca 0.06 -2.89 -0.00 0.00 0.00 0.00 0.00 61.98 59.15 2qr0 s VAL 142 Cb -0.15 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2qr0 s VAL 142 CO 0.06 -0.90 0.14 -0.75 0.00 0.00 0.00 175.10 173.64 2qr0 s LYS 143 N -0.03 3.21 -0.51 2.72 2.20 -0.26 -1.74 119.74 125.33 2qr0 s LYS 143 Ca 0.17 -0.48 -0.14 0.00 -0.36 0.00 0.00 55.97 55.16 2qr0 s LYS 143 Cb -0.19 -2.93 0.02 0.00 -1.51 0.00 0.00 37.83 33.22 2qr0 s LYS 143 CO -0.04 0.63 0.63 -0.25 -0.36 0.00 0.00 175.35 175.95 2qr0 n ASP 144 N 0.72 -7.68 -4.13 1.43 8.00 -0.88 -1.60 116.55 112.41 2qr0 n ASP 144 Ca -0.09 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.63 2qr0 n ASP 144 Cb 0.52 -5.03 -0.10 0.00 -0.02 0.00 0.00 41.12 36.49 2qr0 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2qr0 s TYR 145 N -2.63 0.76 -0.25 1.24 1.13 0.18 -4.05 117.35 113.74 2qr0 s TYR 145 Ca 0.20 -1.16 -0.26 0.00 -1.41 0.00 0.00 57.07 54.44 2qr0 s TYR 145 Cb -0.05 -0.46 0.11 0.00 -1.10 0.00 0.00 41.96 40.45 2qr0 s TYR 145 CO 0.78 -0.44 0.93 0.12 -2.51 0.00 0.00 175.55 174.42 2qr0 s PHE 146 N -3.97 -0.55 0.01 -3.49 2.19 -0.67 0.57 117.98 112.07 2qr0 s PHE 146 Ca 0.18 1.26 -0.00 0.00 0.33 0.00 0.00 56.93 58.70 2qr0 s PHE 146 Cb 0.08 0.36 0.00 0.00 -1.31 0.00 0.00 43.02 42.14 2qr0 s PHE 146 CO -0.02 -0.30 0.01 -0.35 1.83 0.00 0.00 175.22 176.38 2qr0 n PRO 147 N 2.04 0.56 -1.27 10.12 -0.04 -1.26 -1.79 135.00 143.36 2qr0 n PRO 147 Ca -0.13 -0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 2qr0 n PRO 147 Cb 0.56 -0.01 0.10 0.00 -0.04 0.00 0.00 33.50 34.12 2qr0 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qr0 s GLU 148 N -2.46 2.02 0.37 0.54 0.41 -1.26 -4.75 118.70 113.57 2qr0 s GLU 148 Ca 0.01 1.48 0.08 0.00 -0.41 0.00 0.00 54.97 56.13 2qr0 s GLU 148 Cb -0.00 -1.85 -0.03 0.00 -1.78 0.00 0.00 34.13 30.48 2qr0 s GLU 148 CO 0.00 -1.87 0.32 -1.25 -0.49 0.00 0.00 175.26 171.97 2qr0 s PRO 149 N -4.38 2.60 -0.07 0.39 0.04 -1.26 -4.98 135.00 127.33 2qr0 s PRO 149 Ca 0.68 -1.44 0.05 0.00 0.04 0.00 0.00 61.00 60.33 2qr0 s PRO 149 Cb -0.23 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 2qr0 s PRO 149 CO 0.50 -0.04 -0.23 0.08 0.04 0.00 0.00 177.00 177.36 2qr0 s VAL 150 N -2.40 2.25 -0.09 -0.36 1.01 -1.26 -4.46 120.40 115.08 2qr0 s VAL 150 Ca 0.44 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2qr0 s VAL 150 Cb -0.04 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2qr0 s VAL 150 CO 0.27 0.57 -0.05 0.42 0.00 0.00 0.00 175.10 176.30 2qr0 s THR 151 N -0.13 3.81 -0.03 3.92 -4.23 -0.88 -5.00 115.64 113.10 2qr0 s THR 151 Ca -0.04 -0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.09 2qr0 s THR 151 Cb -0.14 -2.59 -0.00 0.00 1.34 0.00 0.00 72.50 71.11 2qr0 s THR 151 CO 0.04 0.57 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.85 2qr0 s VAL 152 N -0.51 1.23 0.03 2.29 1.01 -1.26 -1.51 120.40 121.67 2qr0 s VAL 152 Ca 0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 2qr0 s VAL 152 Cb -0.12 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2qr0 s VAL 152 CO 0.02 0.36 0.01 -0.94 0.00 0.00 0.00 175.10 174.55 2qr0 s SER 153 N -0.06 0.28 -0.14 3.32 1.04 -0.67 -5.00 113.70 112.48 2qr0 s SER 153 Ca -0.00 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.76 2qr0 s SER 153 Cb -0.09 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 2qr0 s SER 153 CO 0.01 -0.44 -0.04 0.26 0.98 0.00 0.00 173.24 174.01 2qr0 s TRP 154 N -2.44 3.03 -1.52 5.02 0.52 -1.26 0.57 118.94 122.86 2qr0 s TRP 154 Ca -0.07 -0.19 -0.09 0.00 0.02 0.00 0.00 56.10 55.77 2qr0 s TRP 154 Cb -0.03 -1.91 0.07 0.00 -1.15 0.00 0.00 33.47 30.46 2qr0 s TRP 154 CO -0.04 0.08 0.68 0.09 0.02 0.00 0.00 176.95 177.77 2qr0 n ASN 155 N 3.20 -2.27 -1.37 2.95 3.02 -0.50 -2.28 115.26 118.01 2qr0 n ASN 155 Ca -0.18 -0.95 -0.17 0.00 -0.03 0.00 0.00 54.58 53.26 2qr0 n ASN 155 Cb 0.53 -3.21 -0.06 0.00 -0.61 0.00 0.00 39.78 36.42 2qr0 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2qr0 n SER 156 N -2.85 -5.00 0.00 6.41 7.64 -1.26 -1.86 113.62 116.70 2qr0 n SER 156 Ca -0.11 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2qr0 n SER 156 Cb 0.59 -3.98 0.00 0.00 -1.01 0.00 0.00 64.21 59.81 2qr0 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qr0 n GLY 157 N -0.94 0.53 0.00 0.23 0.00 -0.96 -4.98 105.19 99.06 2qr0 n GLY 157 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2qr0 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr0 n ALA 158 N -1.40 2.41 -3.71 4.61 0.00 -0.78 -4.66 120.51 116.98 2qr0 n ALA 158 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 2qr0 n ALA 158 Cb 0.00 -1.42 -0.17 0.00 0.00 0.00 0.00 19.45 17.85 2qr0 n ALA 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2qr0 s LEU 159 N -2.20 0.52 0.00 0.00 2.96 -1.17 -5.00 118.68 113.78 2qr0 s LEU 159 Ca 0.34 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 2qr0 s LEU 159 Cb 0.18 -0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.71 2qr0 s LEU 159 CO 0.33 -0.20 0.00 0.35 -1.32 0.00 0.00 176.35 175.52 2qr0 n THR 160 N 4.89 0.00 -2.29 3.68 -2.24 -1.26 -4.42 114.28 112.65 2qr0 n THR 160 Ca -0.12 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 2qr0 n THR 160 Cb 0.50 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 2qr0 n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qr0 s SER 161 N -0.49 6.87 -0.50 3.42 0.15 -1.26 -3.19 113.70 118.70 2qr0 s SER 161 Ca 0.00 1.91 0.00 0.00 0.70 0.00 0.00 55.95 58.56 2qr0 s SER 161 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2qr0 s SER 161 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2qr0 n GLY 162 N 3.71 0.29 3.66 9.45 0.00 -1.26 -4.74 105.19 116.31 2qr0 n GLY 162 Ca 0.14 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 2qr0 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qr0 s VAL 163 N -2.26 4.82 -0.12 1.61 1.01 -1.19 -1.05 120.40 123.22 2qr0 s VAL 163 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2qr0 s VAL 163 Cb 0.00 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.25 2qr0 s VAL 163 CO 0.00 0.49 -0.11 -1.00 0.00 0.00 0.00 175.10 174.48 2qr0 s HIS 164 N 0.11 1.81 -0.36 5.22 3.76 0.29 -5.01 115.29 121.11 2qr0 s HIS 164 Ca 0.05 -0.94 -0.06 0.00 -0.15 0.00 0.00 55.06 53.96 2qr0 s HIS 164 Cb -0.12 -1.39 0.05 0.00 1.11 0.00 0.00 32.58 32.23 2qr0 s HIS 164 CO 0.01 -0.55 0.13 0.99 -0.85 0.00 0.00 174.74 174.46 2qr0 s THR 165 N 1.46 3.79 0.59 1.30 2.01 -1.26 -0.57 115.64 122.96 2qr0 s THR 165 Ca 0.02 -1.25 -0.17 0.00 0.31 0.00 0.00 61.69 60.60 2qr0 s THR 165 Cb -0.13 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2qr0 s THR 165 CO -0.08 -0.27 1.10 -0.36 -0.69 0.00 0.00 174.62 174.33 2qr0 s PHE 166 N 1.38 2.73 0.66 4.92 0.40 -0.69 -5.00 117.98 122.38 2qr0 s PHE 166 Ca -0.00 1.54 -0.18 0.00 -0.60 0.00 0.00 56.93 57.70 2qr0 s PHE 166 Cb -0.20 -3.18 -0.01 0.00 0.51 0.00 0.00 43.02 40.13 2qr0 s PHE 166 CO 0.02 -1.48 1.16 -2.30 0.70 0.00 0.00 175.22 173.31 2qr0 n PRO 167 N -1.79 0.92 -2.22 0.24 -0.02 -1.26 -4.59 135.00 126.28 2qr0 n PRO 167 Ca 0.11 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 2qr0 n PRO 167 Cb 0.52 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2qr0 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qr0 s ALA 168 N -1.51 3.49 -0.11 3.55 0.00 -1.26 -4.76 121.76 121.16 2qr0 s ALA 168 Ca 0.80 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 53.84 2qr0 s ALA 168 Cb -0.38 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 2qr0 s ALA 168 CO 0.44 -0.51 0.06 0.08 0.00 0.00 0.00 175.76 175.82 2qr0 s VAL 169 N -0.63 4.79 -0.32 0.00 1.01 -0.18 -4.93 120.40 120.13 2qr0 s VAL 169 Ca 0.51 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 2qr0 s VAL 169 Cb -0.37 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2qr0 s VAL 169 CO 0.45 0.59 0.51 -0.22 0.00 0.00 0.00 175.10 176.43 2qr0 s LEU 170 N -0.76 4.22 0.79 3.92 0.20 -1.26 -1.54 118.68 124.25 2qr0 s LEU 170 Ca 0.12 0.18 -0.10 0.00 0.69 0.00 0.00 54.13 55.03 2qr0 s LEU 170 Cb -0.12 -2.61 0.10 0.00 -0.43 0.00 0.00 46.19 43.13 2qr0 s LEU 170 CO 0.03 -0.40 1.13 -1.10 -0.29 0.00 0.00 176.35 175.71 2qr0 s GLN 171 N 2.37 1.78 0.46 1.98 -0.21 -0.79 -4.96 119.66 120.28 2qr0 s GLN 171 Ca 0.20 -0.21 0.17 0.00 0.02 0.00 0.00 55.36 55.53 2qr0 s GLN 171 Cb -0.15 -2.04 1.10 0.00 1.00 0.00 0.00 33.01 32.91 2qr0 s GLN 171 CO 0.12 -1.61 2.01 0.66 -2.12 0.00 0.00 175.29 174.35 2qr0 h SER 172 N -0.96 0.00 0.35 5.90 4.64 -1.98 -2.31 113.55 119.19 2qr0 h SER 172 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2qr0 h SER 172 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2qr0 h SER 172 CO 0.57 0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 175.16 2qr0 n SER 173 N -4.18 0.00 0.00 4.97 3.41 -1.26 -4.85 113.62 111.71 2qr0 n SER 173 Ca -0.02 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2qr0 n SER 173 Cb 0.24 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2qr0 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qr0 n GLY 174 N 0.02 0.55 3.56 5.00 0.00 -0.87 -5.04 105.19 108.41 2qr0 n GLY 174 Ca 0.06 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2qr0 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qr0 s LEU 175 N 0.00 3.03 0.44 0.99 1.02 -1.26 -4.91 118.68 117.99 2qr0 s LEU 175 Ca 0.00 -0.22 -0.15 0.00 0.02 0.00 0.00 54.13 53.78 2qr0 s LEU 175 Cb 0.00 -1.75 -0.08 0.00 0.02 0.00 0.00 46.19 44.38 2qr0 s LEU 175 CO 0.00 0.27 0.88 -0.31 0.02 0.00 0.00 176.35 177.21 2qr0 s TYR 176 N -0.98 3.43 -0.18 0.29 2.02 0.19 -1.89 117.35 120.23 2qr0 s TYR 176 Ca 0.17 1.31 -0.13 0.00 -0.37 0.00 0.00 57.07 58.05 2qr0 s TYR 176 Cb -0.11 -2.65 0.05 0.00 -0.40 0.00 0.00 41.96 38.85 2qr0 s TYR 176 CO 0.07 -0.19 0.47 0.45 -1.57 0.00 0.00 175.55 174.78 2qr0 s SER 177 N -2.88 -0.55 0.16 2.29 0.15 -0.59 -0.65 113.70 111.64 2qr0 s SER 177 Ca 0.56 0.98 -0.01 0.00 0.70 0.00 0.00 55.95 58.19 2qr0 s SER 177 Cb -0.10 0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 65.09 2qr0 s SER 177 CO 0.27 -0.18 0.08 -1.48 1.20 0.00 0.00 173.24 173.13 2qr0 s LEU 178 N 0.89 1.58 0.04 3.45 0.05 -0.71 -1.02 118.68 122.96 2qr0 s LEU 178 Ca -0.05 -1.28 0.07 0.00 0.05 0.00 0.00 54.13 52.93 2qr0 s LEU 178 Cb -0.06 0.29 -0.02 0.00 -2.05 0.00 0.00 46.19 44.35 2qr0 s LEU 178 CO -0.07 -0.76 -0.21 -0.44 -0.55 0.00 0.00 176.35 174.32 2qr0 s SER 179 N -3.11 2.50 -0.15 1.48 0.01 -1.26 -0.58 113.70 112.60 2qr0 s SER 179 Ca 0.30 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2qr0 s SER 179 Cb 0.07 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.12 2qr0 s SER 179 CO 0.06 0.17 -0.10 -0.55 0.41 0.00 0.00 173.24 173.23 2qr0 s SER 180 N -1.11 2.63 0.15 2.44 0.15 0.89 -1.70 113.70 117.15 2qr0 s SER 180 Ca 0.08 -0.50 0.10 0.00 0.70 0.00 0.00 55.95 56.32 2qr0 s SER 180 Cb -0.09 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2qr0 s SER 180 CO 0.02 -0.11 -0.22 0.54 1.20 0.00 0.00 173.24 174.67 2qr0 s VAL 181 N 1.57 1.99 -0.05 4.45 0.11 0.27 0.81 120.40 129.55 2qr0 s VAL 181 Ca 0.04 -1.82 -0.05 0.00 -2.93 0.00 0.00 61.98 57.21 2qr0 s VAL 181 Cb -0.13 -1.86 0.01 0.00 -1.53 0.00 0.00 36.38 32.87 2qr0 s VAL 181 CO -0.09 -0.13 0.14 0.54 -3.33 0.00 0.00 175.10 172.22 2qr0 s VAL 182 N -1.56 0.00 -0.11 2.04 0.11 0.23 -0.55 120.40 120.56 2qr0 s VAL 182 Ca 0.14 -0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 59.08 2qr0 s VAL 182 Cb -0.08 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2qr0 s VAL 182 CO 0.07 -0.01 0.19 0.42 -3.33 0.00 0.00 175.10 172.43 2qr0 s THR 183 N 0.02 5.41 0.10 5.04 -4.23 -0.21 -1.10 115.64 120.68 2qr0 s THR 183 Ca -0.01 0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.76 2qr0 s THR 183 Cb -0.01 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 2qr0 s THR 183 CO 0.00 0.58 0.16 0.68 -0.54 0.00 0.00 174.62 175.50 2qr0 s VAL 184 N -0.79 0.14 0.62 2.29 -7.23 0.48 -4.72 120.40 111.20 2qr0 s VAL 184 Ca 0.16 -1.36 -0.18 0.00 -1.81 0.00 0.00 61.98 58.79 2qr0 s VAL 184 Cb -0.13 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 2qr0 s VAL 184 CO 0.05 -0.63 1.21 -2.84 -0.31 0.00 0.00 175.10 172.58 2qr0 s PRO 185 N -3.90 2.82 0.12 4.82 0.02 -1.26 -0.67 135.00 136.95 2qr0 s PRO 185 Ca 0.08 1.82 -0.14 0.00 0.02 0.00 0.00 61.00 62.79 2qr0 s PRO 185 Cb 0.05 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 2qr0 s PRO 185 CO -0.08 -1.33 1.52 0.77 -0.33 0.00 0.00 177.00 177.55 2qr0 h SER 186 N 0.67 0.75 0.83 2.53 0.02 -1.89 -3.17 113.55 113.29 2qr0 h SER 186 Ca -0.50 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 2qr0 h SER 186 Cb 1.30 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2qr0 h SER 186 CO 0.54 0.95 0.00 0.77 -1.14 0.00 0.00 176.83 177.95 2qr0 h SER 187 N 0.55 0.00 1.37 3.07 4.64 -1.93 -2.81 113.55 118.44 2qr0 h SER 187 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2qr0 h SER 187 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2qr0 h SER 187 CO 0.04 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.77 2qr0 h SER 188 N 0.00 0.00 -3.75 4.97 4.64 -1.95 -3.45 113.55 114.02 2qr0 h SER 188 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2qr0 h SER 188 Cb 0.42 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.57 2qr0 h SER 188 CO 0.00 0.00 0.69 -0.76 -0.87 0.00 0.00 176.83 175.89 2qr0 s LEU 189 N -5.38 4.40 0.00 5.97 1.43 -1.06 -0.90 118.68 123.14 2qr0 s LEU 189 Ca 0.06 2.72 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 2qr0 s LEU 189 Cb 0.09 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2qr0 s LEU 189 CO 0.56 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 177.13 2qr0 n GLY 190 N 1.15 2.51 0.09 -3.19 0.00 -1.26 -4.73 105.19 99.76 2qr0 n GLY 190 Ca 0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 2qr0 n GLY 190 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qr0 h THR 191 N 0.00 0.36 -3.91 2.61 2.02 -1.82 -3.46 112.91 108.71 2qr0 h THR 191 Ca 0.00 -1.17 -0.47 0.00 0.77 0.00 0.00 66.41 65.54 2qr0 h THR 191 Cb 0.00 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2qr0 h THR 191 CO 0.00 0.12 0.36 -1.10 0.37 0.00 0.00 175.52 175.27 2qr0 s GLN 192 N -2.08 4.47 -0.26 6.66 -1.52 -0.08 -5.05 119.66 121.81 2qr0 s GLN 192 Ca -0.05 1.36 -0.06 0.00 -1.95 0.00 0.00 55.36 54.65 2qr0 s GLN 192 Cb -0.00 -2.70 -0.01 0.00 -0.22 0.00 0.00 33.01 30.08 2qr0 s GLN 192 CO 0.19 0.17 0.05 0.99 -0.25 0.00 0.00 175.29 176.43 2qr0 s THR 193 N -1.67 3.97 -0.42 -0.19 2.01 -1.26 -4.81 115.64 113.27 2qr0 s THR 193 Ca 0.53 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 2qr0 s THR 193 Cb -0.19 -2.92 0.07 0.00 0.01 0.00 0.00 72.50 69.48 2qr0 s THR 193 CO 0.24 0.26 0.27 -0.31 -0.69 0.00 0.00 174.62 174.39 2qr0 s TYR 194 N 1.54 3.32 -0.03 4.92 2.02 -1.26 -4.94 117.35 122.92 2qr0 s TYR 194 Ca 0.05 -1.41 0.02 0.00 -0.37 0.00 0.00 57.07 55.36 2qr0 s TYR 194 Cb -0.16 -2.92 -0.03 0.00 -0.40 0.00 0.00 41.96 38.45 2qr0 s TYR 194 CO 0.02 -0.82 -0.07 0.96 -1.57 0.00 0.00 175.55 174.07 2qr0 s ILE 195 N 1.46 3.70 -0.16 2.71 -5.25 -1.26 -0.74 121.20 121.66 2qr0 s ILE 195 Ca 0.03 -0.62 -0.03 0.00 -0.99 0.00 0.00 60.65 59.04 2qr0 s ILE 195 Cb -0.23 -2.56 -0.02 0.00 2.95 0.00 0.00 42.46 42.60 2qr0 s ILE 195 CO 0.03 0.50 -0.05 0.00 -1.79 0.00 0.00 174.94 173.62 2qr0 s ASN 197 N 0.47 6.08 -0.06 0.00 -0.87 0.19 -2.23 114.94 118.53 2qr0 s ASN 197 Ca -0.05 -1.76 -0.14 0.00 -1.57 0.00 0.00 52.86 49.34 2qr0 s ASN 197 Cb -0.15 -2.16 -0.05 0.00 -0.02 0.00 0.00 41.25 38.87 2qr0 s ASN 197 CO 0.03 -0.80 0.35 -0.69 -2.57 0.00 0.00 177.10 173.42 2qr0 s VAL 198 N 1.55 5.16 -0.09 1.60 1.01 -0.50 -1.67 120.40 127.47 2qr0 s VAL 198 Ca 0.04 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 2qr0 s VAL 198 Cb -0.29 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2qr0 s VAL 198 CO 0.03 0.53 0.06 0.21 0.00 0.00 0.00 175.10 175.93 2qr0 s ASN 199 N -0.65 1.64 -0.44 3.32 3.84 -0.57 -2.21 114.94 119.87 2qr0 s ASN 199 Ca 0.21 -0.19 -0.01 0.00 0.21 0.00 0.00 52.86 53.08 2qr0 s ASN 199 Cb -0.15 -0.22 0.12 0.00 -0.55 0.00 0.00 41.25 40.44 2qr0 s ASN 199 CO 0.10 -0.28 0.22 -2.28 -2.79 0.00 0.00 177.10 172.07 2qr0 s HIS 200 N 2.12 3.57 0.16 0.43 5.65 -0.85 -2.06 115.29 124.31 2qr0 s HIS 200 Ca 0.04 -2.62 -0.15 0.00 0.25 0.00 0.00 55.06 52.58 2qr0 s HIS 200 Cb -0.13 -3.15 0.04 0.00 -1.18 0.00 0.00 32.58 28.16 2qr0 s HIS 200 CO -0.05 -0.93 1.81 0.87 -0.65 0.00 0.00 174.74 175.78 2qr0 h LYS 201 N 7.72 0.63 0.00 2.88 1.57 -1.84 -2.81 116.57 124.72 2qr0 h LYS 201 Ca -0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2qr0 h LYS 201 Cb 1.02 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2qr0 h LYS 201 CO 0.67 0.44 0.00 -0.35 -0.57 0.00 0.00 179.45 179.64 2qr0 n PRO 202 N -4.74 0.47 -0.54 3.15 -0.05 -1.26 -1.68 135.00 130.34 2qr0 n PRO 202 Ca 0.02 0.04 0.05 0.00 -0.05 0.00 0.00 63.50 63.55 2qr0 n PRO 202 Cb 0.04 -1.50 0.07 0.00 -0.05 0.00 0.00 33.50 32.06 2qr0 n PRO 202 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 2qr0 n SER 203 N -1.08 1.12 -4.43 3.54 3.41 -1.17 -5.01 113.62 110.00 2qr0 n SER 203 Ca 0.12 -2.59 -0.40 0.00 -0.26 0.00 0.00 58.87 55.74 2qr0 n SER 203 Cb 0.08 -0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 2qr0 n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qr0 n ASN 204 N -0.51 -2.00 -4.52 4.04 3.02 -0.68 -4.92 115.26 109.69 2qr0 n ASN 204 Ca 0.08 -1.18 -0.39 0.00 -0.03 0.00 0.00 54.58 53.07 2qr0 n ASN 204 Cb 0.75 -1.96 -0.11 0.00 -0.61 0.00 0.00 39.78 37.85 2qr0 n ASN 204 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qr0 s THR 205 N -3.36 5.02 -0.25 3.41 -4.23 -1.07 -5.04 115.64 110.12 2qr0 s THR 205 Ca 0.73 -0.12 0.01 0.00 -1.18 0.00 0.00 61.69 61.14 2qr0 s THR 205 Cb -0.42 -3.48 0.05 0.00 1.34 0.00 0.00 72.50 69.99 2qr0 s THR 205 CO 1.00 0.14 -0.11 -0.54 -0.54 0.00 0.00 174.62 174.57 2qr0 s LYS 206 N 1.70 2.50 -0.06 3.99 -0.14 -1.26 -2.01 119.74 124.46 2qr0 s LYS 206 Ca 0.06 -1.18 0.05 0.00 -1.36 0.00 0.00 55.97 53.54 2qr0 s LYS 206 Cb -0.17 -2.87 -0.01 0.00 -1.68 0.00 0.00 37.83 33.11 2qr0 s LYS 206 CO 0.09 -0.48 -0.21 0.08 -0.76 0.00 0.00 175.35 174.07 2qr0 s VAL 207 N 1.19 1.78 -0.58 3.17 1.01 -0.94 -5.05 120.40 120.99 2qr0 s VAL 207 Ca -0.04 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2qr0 s VAL 207 Cb -0.18 -1.52 0.15 0.00 0.00 0.00 0.00 36.38 34.83 2qr0 s VAL 207 CO -0.06 0.50 0.36 -1.81 0.00 0.00 0.00 175.10 174.09 2qr0 s ASP 208 N 0.02 4.19 -0.10 3.32 1.01 -1.26 -1.41 116.67 122.44 2qr0 s ASP 208 Ca -0.06 -3.31 -0.25 0.00 0.71 0.00 0.00 52.55 49.64 2qr0 s ASP 208 Cb -0.14 -1.44 -0.03 0.00 1.01 0.00 0.00 42.92 42.32 2qr0 s ASP 208 CO 0.04 -0.17 0.77 -0.75 0.21 0.00 0.00 175.17 175.27 2qr0 s LYS 209 N -0.65 4.39 -0.02 8.23 2.47 -0.95 -4.85 119.74 128.36 2qr0 s LYS 209 Ca 0.22 0.96 -0.28 0.00 -1.56 0.00 0.00 55.97 55.31 2qr0 s LYS 209 Cb -0.14 -3.50 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 2qr0 s LYS 209 CO -0.09 -0.09 0.88 0.21 0.16 0.00 0.00 175.35 176.42 2qr0 s LYS 210 N 1.33 4.52 -0.24 4.03 2.20 -1.26 -0.90 119.74 129.42 2qr0 s LYS 210 Ca 0.39 1.23 -0.07 0.00 -0.36 0.00 0.00 55.97 57.16 2qr0 s LYS 210 Cb -0.18 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 2qr0 s LYS 210 CO 0.17 -0.00 0.05 0.08 -0.36 0.00 0.00 175.35 175.28 2qr0 s VAL 211 N 0.92 4.11 0.07 4.02 1.01 0.08 -4.93 120.40 125.67 2qr0 s VAL 211 Ca 0.47 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2qr0 s VAL 211 Cb -0.20 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 2qr0 s VAL 211 CO 0.24 0.36 -0.05 -1.83 0.00 0.00 0.00 175.10 173.82 2qr0 s GLU 212 N 1.58 0.68 0.01 2.72 -1.05 -1.26 -4.18 118.70 117.19 2qr0 s GLU 212 Ca 0.06 -1.17 -0.30 0.00 -0.15 0.00 0.00 54.97 53.41 2qr0 s GLU 212 Cb -0.15 -0.05 -0.06 0.00 -0.44 0.00 0.00 34.13 33.43 2qr0 s GLU 212 CO 0.02 -0.04 1.39 -2.14 0.95 0.00 0.00 175.26 175.44 2qr0 s PRO 213 N -3.39 4.29 0.09 -4.83 0.02 -1.26 -4.75 135.00 125.17 2qr0 s PRO 213 Ca 0.05 1.96 -0.31 0.00 0.02 0.00 0.00 61.00 62.72 2qr0 s PRO 213 Cb 0.03 -3.54 -0.07 0.00 0.02 0.00 0.00 34.50 30.94 2qr0 s PRO 213 CO -0.06 -0.55 1.34 0.21 -0.33 0.00 0.00 177.00 177.61 2qr0 s LYS 214 N 2.26 4.35 0.00 5.54 2.20 -1.26 -4.88 119.74 127.95 2qr0 s LYS 214 Ca 0.64 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 58.23 2qr0 s LYS 214 Cb -0.32 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2qr0 s LYS 214 CO 0.27 -0.40 0.00 -1.13 -0.36 0.00 0.00 175.35 173.73 2qr0 n SER 215 N 4.05 0.00 0.00 1.43 3.41 -1.26 -5.14 113.62 116.10 2qr0 n SER 215 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2qr0 n SER 215 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2qr0 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88