#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr0 s ILE 2 N 0.00 4.99 -0.30 0.53 1.09 -1.26 -5.04 121.20 121.21 2qr0 s ILE 2 Ca 0.00 1.34 -0.12 0.00 -1.10 0.00 0.00 60.65 60.76 2qr0 s ILE 2 Cb 0.00 -4.01 -0.04 0.00 -1.06 0.00 0.00 42.46 37.36 2qr0 s ILE 2 CO 0.00 0.11 0.24 -1.58 -0.10 0.00 0.00 174.94 173.61 2qr0 s GLN 3 N 1.80 3.82 -0.21 2.79 2.00 -1.26 -4.92 119.66 123.67 2qr0 s GLN 3 Ca 0.32 -0.36 -0.15 0.00 -2.00 0.00 0.00 55.36 53.18 2qr0 s GLN 3 Cb -0.16 -3.71 -0.04 0.00 0.80 0.00 0.00 33.01 29.90 2qr0 s GLN 3 CO 0.12 -0.29 0.34 -1.64 -0.50 0.00 0.00 175.29 173.33 2qr0 s MET 4 N 1.82 4.14 -0.30 1.67 -1.94 -1.26 -2.37 119.30 121.06 2qr0 s MET 4 Ca 0.08 0.09 0.03 0.00 -1.71 0.00 0.00 55.69 54.18 2qr0 s MET 4 Cb -0.16 -3.54 0.08 0.00 2.01 0.00 0.00 34.83 33.21 2qr0 s MET 4 CO 0.11 -0.03 -0.03 0.99 -0.01 0.00 0.00 175.02 176.04 2qr0 s THR 5 N 1.30 2.31 0.13 2.05 2.01 -0.52 -4.49 115.64 118.44 2qr0 s THR 5 Ca 0.16 -1.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.06 2qr0 s THR 5 Cb -0.15 -2.50 -0.07 0.00 0.01 0.00 0.00 72.50 69.79 2qr0 s THR 5 CO 0.07 -0.27 0.65 -1.10 -0.69 0.00 0.00 174.62 173.29 2qr0 s GLN 6 N 1.04 4.29 -0.01 4.92 -0.21 -1.26 -1.08 119.66 127.35 2qr0 s GLN 6 Ca -0.01 0.86 0.01 0.00 0.02 0.00 0.00 55.36 56.23 2qr0 s GLN 6 Cb -0.20 -3.15 0.01 0.00 1.00 0.00 0.00 33.01 30.67 2qr0 s GLN 6 CO -0.06 0.56 -0.02 0.45 -2.12 0.00 0.00 175.29 174.11 2qr0 s SER 7 N -1.28 0.30 1.01 5.90 0.15 -0.32 -4.62 113.70 114.85 2qr0 s SER 7 Ca 0.34 -0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.91 2qr0 s SER 7 Cb -0.20 -0.08 0.07 0.00 -1.71 0.00 0.00 66.02 64.11 2qr0 s SER 7 CO 0.21 -0.01 0.37 -2.65 1.20 0.00 0.00 173.24 172.36 2qr0 n PRO 8 N 3.33 -0.61 -0.09 5.44 -0.02 -1.26 -1.53 135.00 140.25 2qr0 n PRO 8 Ca -0.16 -0.57 -0.15 0.00 -2.02 0.00 0.00 63.50 60.59 2qr0 n PRO 8 Cb 0.57 -0.41 -0.09 0.00 -0.02 0.00 0.00 33.50 33.55 2qr0 n PRO 8 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2qr0 h SER 9 N -0.69 0.00 -1.01 2.55 0.02 -1.84 -3.43 113.55 109.14 2qr0 h SER 9 Ca -0.12 -0.41 -0.65 0.00 -0.84 0.00 0.00 61.79 59.76 2qr0 h SER 9 Cb 0.34 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.75 2qr0 h SER 9 CO 0.08 1.19 -0.53 -0.94 -1.14 0.00 0.00 176.83 175.50 2qr0 s SER 10 N -6.43 3.87 -0.30 3.07 1.04 -1.26 -2.14 113.70 111.56 2qr0 s SER 10 Ca -0.22 -1.60 -0.17 0.00 0.48 0.00 0.00 55.95 54.43 2qr0 s SER 10 Cb 0.04 0.35 0.20 0.00 0.10 0.00 0.00 66.02 66.71 2qr0 s SER 10 CO 0.48 -0.79 1.24 -0.22 0.98 0.00 0.00 173.24 174.93 2qr0 s LEU 11 N -3.80 -0.11 -0.02 2.42 2.96 -0.60 -4.88 118.68 114.63 2qr0 s LEU 11 Ca 0.14 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.29 2qr0 s LEU 11 Cb 0.03 1.17 -0.01 0.00 0.50 0.00 0.00 46.19 47.88 2qr0 s LEU 11 CO 0.07 -0.03 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.92 2qr0 s SER 12 N 0.98 2.51 0.10 3.68 1.04 -1.26 0.15 113.70 120.90 2qr0 s SER 12 Ca -0.07 -0.39 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 2qr0 s SER 12 Cb -0.03 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 2qr0 s SER 12 CO -0.11 0.25 0.09 0.00 0.98 0.00 0.00 173.24 174.45 2qr0 s ALA 13 N -0.39 0.41 0.76 5.32 0.00 -1.11 -4.92 121.76 121.83 2qr0 s ALA 13 Ca 0.05 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 2qr0 s ALA 13 Cb -0.09 0.60 0.07 0.00 0.00 0.00 0.00 23.12 23.70 2qr0 s ALA 13 CO 0.00 -0.48 1.11 -1.12 0.00 0.00 0.00 175.76 175.27 2qr0 s SER 14 N -2.96 4.67 -0.04 0.00 0.01 -1.26 -0.22 113.70 113.91 2qr0 s SER 14 Ca 0.14 0.66 -0.30 0.00 1.31 0.00 0.00 55.95 57.76 2qr0 s SER 14 Cb 0.07 -1.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.01 2qr0 s SER 14 CO -0.05 -1.76 1.50 -0.69 0.41 0.00 0.00 173.24 172.66 2qr0 s VAL 15 N -3.43 3.67 0.00 3.43 1.01 -1.25 -2.66 120.40 121.17 2qr0 s VAL 15 Ca 0.61 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2qr0 s VAL 15 Cb -0.11 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2qr0 s VAL 15 CO 0.47 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2qr0 n GLY 16 N 3.86 0.90 3.76 4.51 0.00 0.83 -4.97 105.19 114.08 2qr0 n GLY 16 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2qr0 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qr0 s ASP 17 N -1.97 4.09 -0.17 1.61 1.11 -1.09 -4.37 116.67 115.88 2qr0 s ASP 17 Ca 0.00 1.50 -0.15 0.00 0.18 0.00 0.00 52.55 54.08 2qr0 s ASP 17 Cb 0.00 -2.21 -0.04 0.00 1.07 0.00 0.00 42.92 41.73 2qr0 s ASP 17 CO 0.00 -2.25 0.36 -0.60 1.18 0.00 0.00 175.17 173.86 2qr0 s ARG 18 N -5.00 4.23 -0.06 8.23 3.52 -1.26 -1.63 118.95 126.98 2qr0 s ARG 18 Ca 0.62 0.17 0.04 0.00 -0.13 0.00 0.00 55.73 56.44 2qr0 s ARG 18 Cb -0.16 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2qr0 s ARG 18 CO 0.56 0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 175.05 2qr0 s VAL 19 N 0.85 2.62 -0.17 7.11 1.01 -0.20 -5.00 120.40 126.61 2qr0 s VAL 19 Ca 0.19 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2qr0 s VAL 19 Cb -0.14 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.28 2qr0 s VAL 19 CO 0.06 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.82 2qr0 s THR 20 N -0.36 0.93 -0.18 3.92 2.01 -1.26 -0.93 115.64 119.77 2qr0 s THR 20 Ca 0.03 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 2qr0 s THR 20 Cb -0.12 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 2qr0 s THR 20 CO 0.02 0.05 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.33 2qr0 s ILE 21 N 1.70 3.60 0.10 1.82 1.01 0.01 -4.77 121.20 124.66 2qr0 s ILE 21 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.25 2qr0 s ILE 21 Cb -0.16 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2qr0 s ILE 21 CO -0.07 0.46 0.03 0.42 0.00 0.00 0.00 174.94 175.78 2qr0 s THR 22 N 0.81 4.17 -0.15 2.92 -4.23 -0.58 -0.62 115.64 117.97 2qr0 s THR 22 Ca -0.01 -0.96 -0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2qr0 s THR 22 Cb -0.15 -3.01 0.07 0.00 1.34 0.00 0.00 72.50 70.75 2qr0 s THR 22 CO 0.02 0.09 0.18 0.00 -0.54 0.00 0.00 174.62 174.37 2qr0 s ARG 24 N 2.30 3.79 0.16 0.00 3.52 -0.24 -1.31 118.95 127.17 2qr0 s ARG 24 Ca 0.04 -0.41 -0.15 0.00 -0.13 0.00 0.00 55.73 55.08 2qr0 s ARG 24 Cb -0.14 -3.41 -0.07 0.00 -1.56 0.00 0.00 34.95 29.77 2qr0 s ARG 24 CO -0.09 -0.12 0.58 0.00 -0.81 0.00 0.00 175.30 174.86 2qr0 s ALA 25 N 1.49 3.55 0.03 6.12 0.00 -0.76 -1.43 121.76 130.75 2qr0 s ALA 25 Ca 0.06 -0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.71 2qr0 s ALA 25 Cb -0.15 -2.56 -0.15 0.00 0.00 0.00 0.00 23.12 20.26 2qr0 s ALA 25 CO 0.05 0.44 1.38 0.66 0.00 0.00 0.00 175.76 178.29 2qr0 h SER 26 N 3.46 0.25 -4.53 0.00 4.64 -1.81 -3.46 113.55 112.10 2qr0 h SER 26 Ca -0.48 -0.42 -0.24 0.00 -0.47 0.00 0.00 61.79 60.18 2qr0 h SER 26 Cb 1.19 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 63.07 2qr0 h SER 26 CO 0.66 0.61 -0.70 0.00 -0.87 0.00 0.00 176.83 176.53 2qr0 s GLN 27 N -4.55 0.87 -0.01 4.77 -2.07 -1.26 -5.05 119.66 112.36 2qr0 s GLN 27 Ca -0.15 -1.36 -0.37 0.00 -1.82 0.00 0.00 55.36 51.66 2qr0 s GLN 27 Cb 0.05 -0.26 -0.16 0.00 -1.09 0.00 0.00 33.01 31.55 2qr0 s GLN 27 CO 0.72 -0.01 1.47 -1.13 -1.32 0.00 0.00 175.29 175.02 2qr0 n SER 28 N -0.07 1.95 -0.16 12.60 3.41 -1.26 -4.86 113.62 125.23 2qr0 n SER 28 Ca -0.12 1.10 0.08 0.00 -0.26 0.00 0.00 58.87 59.67 2qr0 n SER 28 Cb 0.61 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.32 2qr0 n SER 28 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qr0 n VAL 29 N 3.15 0.00 -4.54 -3.33 0.31 -1.26 -5.10 118.33 107.56 2qr0 n VAL 29 Ca 0.20 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2qr0 n VAL 29 Cb 0.18 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.20 2qr0 n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qr0 n SER 30 N -0.82 -1.74 -2.94 4.52 3.41 -1.26 -3.88 113.62 110.91 2qr0 n SER 30 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.31 2qr0 n SER 30 Cb 0.28 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.22 2qr0 n SER 30 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qr0 n SER 31 N -1.59 7.16 -3.11 4.04 3.41 -1.26 -4.75 113.62 117.52 2qr0 n SER 31 Ca 0.00 -3.43 -0.27 0.00 -0.26 0.00 0.00 58.87 54.91 2qr0 n SER 31 Cb 0.00 -1.21 -0.05 0.00 -0.26 0.00 0.00 64.21 62.69 2qr0 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qr0 n ALA 32 N 0.53 4.47 -2.74 7.33 0.00 -1.25 -3.84 120.51 125.02 2qr0 n ALA 32 Ca 0.53 -4.73 -0.17 0.00 0.00 0.00 0.00 53.44 49.06 2qr0 n ALA 32 Cb 0.37 -0.79 -0.13 0.00 0.00 0.00 0.00 19.45 18.90 2qr0 n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qr0 s VAL 33 N -3.76 0.74 0.08 0.00 1.01 -1.26 -1.21 120.40 115.99 2qr0 s VAL 33 Ca 0.46 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2qr0 s VAL 33 Cb 0.23 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 2qr0 s VAL 33 CO -0.09 -0.06 -0.12 0.00 0.00 0.00 0.00 175.10 174.82 2qr0 s ALA 34 N -0.77 1.09 -0.07 5.51 0.00 0.16 0.22 121.76 127.90 2qr0 s ALA 34 Ca -0.02 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.96 2qr0 s ALA 34 Cb -0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2qr0 s ALA 34 CO 0.00 0.09 -0.20 -1.58 0.00 0.00 0.00 175.76 174.07 2qr0 s TRP 35 N -1.61 2.58 0.28 0.00 0.52 -0.42 -0.24 118.94 120.04 2qr0 s TRP 35 Ca -0.01 -0.52 0.10 0.00 0.02 0.00 0.00 56.10 55.69 2qr0 s TRP 35 Cb -0.08 -1.64 -0.05 0.00 -1.15 0.00 0.00 33.47 30.54 2qr0 s TRP 35 CO 0.02 -0.08 -0.14 0.71 0.02 0.00 0.00 176.95 177.47 2qr0 s TYR 36 N -0.28 2.14 -0.20 -1.98 2.02 0.87 -0.71 117.35 119.21 2qr0 s TYR 36 Ca 0.01 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.21 2qr0 s TYR 36 Cb -0.13 -1.05 0.06 0.00 -0.40 0.00 0.00 41.96 40.44 2qr0 s TYR 36 CO 0.03 0.55 0.03 -1.14 -1.57 0.00 0.00 175.55 173.45 2qr0 s GLN 37 N -3.59 0.73 -0.35 -0.62 0.74 0.15 -1.98 119.66 114.73 2qr0 s GLN 37 Ca 0.29 -0.49 -0.09 0.00 0.05 0.00 0.00 55.36 55.11 2qr0 s GLN 37 Cb -0.01 -2.14 0.03 0.00 1.10 0.00 0.00 33.01 31.98 2qr0 s GLN 37 CO 0.13 -0.65 0.16 -1.14 -0.55 0.00 0.00 175.29 173.24 2qr0 s GLN 38 N 1.81 2.82 0.94 1.67 0.74 0.18 -1.78 119.66 126.04 2qr0 s GLN 38 Ca -0.01 -1.07 -0.12 0.00 0.05 0.00 0.00 55.36 54.22 2qr0 s GLN 38 Cb -0.17 -3.61 0.15 0.00 1.10 0.00 0.00 33.01 30.48 2qr0 s GLN 38 CO -0.09 -0.65 1.09 0.15 -0.55 0.00 0.00 175.29 175.25 2qr0 s LYS 39 N 1.51 0.93 0.10 1.67 3.01 -1.26 -1.49 119.74 124.22 2qr0 s LYS 39 Ca 0.01 0.76 -0.31 0.00 -1.01 0.00 0.00 55.97 55.42 2qr0 s LYS 39 Cb -0.19 -1.78 -0.08 0.00 -1.01 0.00 0.00 37.83 34.78 2qr0 s LYS 39 CO 0.05 -2.45 1.37 -2.14 0.51 0.00 0.00 175.35 172.69 2qr0 s PRO 40 N -4.91 4.33 -0.64 -1.68 0.02 -1.26 -3.17 135.00 127.68 2qr0 s PRO 40 Ca 0.64 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2qr0 s PRO 40 Cb -0.19 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.06 2qr0 s PRO 40 CO 0.57 -0.42 0.00 0.41 -0.33 0.00 0.00 177.00 177.23 2qr0 n GLY 41 N 3.47 0.84 3.30 0.52 0.00 -1.26 -5.01 105.19 107.04 2qr0 n GLY 41 Ca 0.11 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 2qr0 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qr0 s LYS 42 N -2.27 1.36 0.49 1.61 1.02 -1.19 -5.16 119.74 115.60 2qr0 s LYS 42 Ca 0.00 -1.73 -0.11 0.00 0.02 0.00 0.00 55.97 54.15 2qr0 s LYS 42 Cb 0.00 -0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.02 2qr0 s LYS 42 CO 0.00 -0.28 0.87 0.00 -0.92 0.00 0.00 175.35 175.02 2qr0 s ALA 43 N -3.77 3.25 0.52 5.17 0.00 -1.26 -4.59 121.76 121.07 2qr0 s ALA 43 Ca 0.36 -0.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.94 2qr0 s ALA 43 Cb 0.08 -2.84 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 2qr0 s ALA 43 CO 0.12 -0.27 1.22 -2.30 0.00 0.00 0.00 175.76 174.54 2qr0 n PRO 44 N -1.85 1.55 -4.97 0.00 -0.02 -1.26 -4.64 135.00 123.80 2qr0 n PRO 44 Ca 0.04 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 2qr0 n PRO 44 Cb 0.54 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 2qr0 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qr0 s LYS 45 N -2.61 2.68 0.04 -0.52 2.20 -0.74 -4.92 119.74 115.89 2qr0 s LYS 45 Ca 0.69 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 55.25 2qr0 s LYS 45 Cb -0.45 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 2qr0 s LYS 45 CO 0.52 0.48 0.96 -1.17 -0.36 0.00 0.00 175.35 175.78 2qr0 s LEU 46 N -0.37 4.42 -0.14 5.43 2.96 -1.26 -0.67 118.68 129.05 2qr0 s LEU 46 Ca 0.03 1.70 -0.10 0.00 -0.22 0.00 0.00 54.13 55.55 2qr0 s LEU 46 Cb -0.12 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.94 2qr0 s LEU 46 CO 0.02 -0.17 -0.23 0.18 -1.32 0.00 0.00 176.35 174.83 2qr0 n LEU 47 N 3.43 1.38 -4.18 -0.68 4.77 0.12 -4.83 117.00 117.00 2qr0 n LEU 47 Ca 0.04 0.23 -0.21 0.00 -0.03 0.00 0.00 56.01 56.05 2qr0 n LEU 47 Cb 0.50 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 2qr0 n LEU 47 CO 0.51 0.07 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.54 2qr0 s ILE 48 N -2.41 1.25 0.32 -0.08 1.09 -1.11 -1.26 121.20 119.01 2qr0 s ILE 48 Ca -0.22 -1.18 0.03 0.00 -1.10 0.00 0.00 60.65 58.18 2qr0 s ILE 48 Cb 0.07 -1.15 -0.04 0.00 -1.06 0.00 0.00 42.46 40.28 2qr0 s ILE 48 CO 0.30 -0.05 0.15 -0.72 -0.10 0.00 0.00 174.94 174.52 2qr0 s TYR 49 N -1.00 1.65 -1.61 3.97 1.13 -0.74 -1.30 117.35 119.44 2qr0 s TYR 49 Ca 0.02 -1.34 -0.16 0.00 -1.41 0.00 0.00 57.07 54.17 2qr0 s TYR 49 Cb -0.09 -0.92 0.16 0.00 -1.10 0.00 0.00 41.96 40.02 2qr0 s TYR 49 CO 0.02 -0.47 0.41 0.43 -2.51 0.00 0.00 175.55 173.43 2qr0 n SER 50 N -0.97 -1.04 0.00 -0.18 7.64 -1.01 -2.20 113.62 115.86 2qr0 n SER 50 Ca 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.76 2qr0 n SER 50 Cb 0.65 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2qr0 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qr0 n ALA 51 N -3.80 0.00 0.00 -0.43 0.00 0.13 -4.13 120.51 112.29 2qr0 n ALA 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qr0 n ALA 51 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2qr0 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qr0 n SER 52 N 0.85 1.92 -4.77 0.00 3.41 -1.06 -2.67 113.62 111.30 2qr0 n SER 52 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 2qr0 n SER 52 Cb 0.00 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 2qr0 n SER 52 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qr0 s SER 53 N -2.01 7.10 -0.08 4.04 1.04 -0.94 -4.09 113.70 118.77 2qr0 s SER 53 Ca 0.00 2.11 -0.17 0.00 0.48 0.00 0.00 55.95 58.36 2qr0 s SER 53 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2qr0 s SER 53 CO 0.00 -0.25 0.46 -0.22 0.98 0.00 0.00 173.24 174.21 2qr0 s LEU 54 N -1.97 4.34 0.54 2.42 2.96 -1.26 -1.79 118.68 123.92 2qr0 s LEU 54 Ca 0.50 0.87 -0.20 0.00 -0.22 0.00 0.00 54.13 55.09 2qr0 s LEU 54 Cb -0.26 -2.67 -0.06 0.00 0.50 0.00 0.00 46.19 43.70 2qr0 s LEU 54 CO 0.33 0.10 1.13 -0.47 -1.32 0.00 0.00 176.35 176.12 2qr0 s TYR 55 N 0.09 2.69 0.05 5.38 5.04 -0.39 -4.93 117.35 125.30 2qr0 s TYR 55 Ca 0.25 1.54 -0.30 0.00 -2.44 0.00 0.00 57.07 56.12 2qr0 s TYR 55 Cb -0.16 -3.28 -0.09 0.00 0.35 0.00 0.00 41.96 38.78 2qr0 s TYR 55 CO 0.11 -1.54 1.83 0.45 -1.34 0.00 0.00 175.55 175.06 2qr0 s SER 56 N -1.77 6.50 0.00 4.32 0.15 -1.26 -2.38 113.70 119.26 2qr0 s SER 56 Ca 0.72 2.60 0.00 0.00 0.70 0.00 0.00 55.95 59.97 2qr0 s SER 56 Cb -0.24 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2qr0 s SER 56 CO 0.27 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.33 2qr0 n GLY 57 N 4.30 0.61 3.73 9.45 0.00 -1.26 -5.06 105.19 116.96 2qr0 n GLY 57 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2qr0 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qr0 s VAL 58 N -2.42 4.95 0.75 1.61 1.01 -1.00 -5.04 120.40 120.25 2qr0 s VAL 58 Ca 0.00 1.42 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 2qr0 s VAL 58 Cb 0.00 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.41 2qr0 s VAL 58 CO 0.00 0.32 1.21 -2.16 0.00 0.00 0.00 175.10 174.47 2qr0 s PRO 59 N 0.36 2.02 0.49 2.72 0.04 -1.26 -4.90 135.00 134.47 2qr0 s PRO 59 Ca 0.36 1.77 0.26 0.00 0.04 0.00 0.00 61.00 63.43 2qr0 s PRO 59 Cb -0.18 -1.82 1.23 0.00 0.04 0.00 0.00 34.50 33.77 2qr0 s PRO 59 CO 0.19 -1.93 1.96 0.66 0.04 0.00 0.00 177.00 177.92 2qr0 h SER 60 N -0.42 0.00 -0.65 6.66 4.64 -1.99 -2.97 113.55 118.81 2qr0 h SER 60 Ca -0.47 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.91 2qr0 h SER 60 Cb 1.30 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 2qr0 h SER 60 CO 0.49 0.16 0.43 0.08 -0.87 0.00 0.00 176.83 177.12 2qr0 h ARG 61 N 0.00 0.61 -6.52 4.77 0.11 -1.93 -3.40 114.38 108.02 2qr0 h ARG 61 Ca -0.00 -0.04 -0.53 0.00 0.10 0.00 0.00 59.98 59.51 2qr0 h ARG 61 Cb 0.52 -0.14 0.02 0.00 1.11 0.00 0.00 29.97 31.48 2qr0 h ARG 61 CO 0.02 0.40 0.73 -0.06 0.10 0.00 0.00 179.97 181.16 2qr0 s PHE 62 N -5.57 3.20 -0.21 4.08 0.08 -1.12 -2.26 117.98 116.18 2qr0 s PHE 62 Ca -0.09 0.96 -0.09 0.00 0.12 0.00 0.00 56.93 57.83 2qr0 s PHE 62 Cb 0.19 -3.66 0.09 0.00 -0.57 0.00 0.00 43.02 39.07 2qr0 s PHE 62 CO 0.76 -2.32 0.47 -1.54 -0.10 0.00 0.00 175.22 172.49 2qr0 s SER 63 N 1.21 -0.49 0.21 1.36 1.04 -0.88 -4.99 113.70 111.18 2qr0 s SER 63 Ca 0.64 1.08 -0.05 0.00 0.48 0.00 0.00 55.95 58.10 2qr0 s SER 63 Cb -0.36 1.34 -0.06 0.00 0.10 0.00 0.00 66.02 67.05 2qr0 s SER 63 CO 0.30 -0.22 0.47 -0.83 0.98 0.00 0.00 173.24 173.93 2qr0 s GLY 64 N 2.28 2.06 0.21 7.32 0.00 -1.26 -1.09 107.32 116.85 2qr0 s GLY 64 Ca -0.05 -0.54 -0.14 0.00 0.00 0.00 0.00 44.72 43.99 2qr0 s GLY 64 CO -0.14 -0.44 0.47 -1.35 0.00 0.00 0.00 173.10 171.63 2qr0 s SER 65 N -2.75 -0.14 0.03 1.64 1.04 -0.79 -4.41 113.70 108.32 2qr0 s SER 65 Ca 0.43 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 56.16 2qr0 s SER 65 Cb -0.11 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2qr0 s SER 65 CO 0.26 -1.06 -0.05 -0.60 0.98 0.00 0.00 173.24 172.77 2qr0 s ARG 66 N -3.94 0.44 -0.38 4.02 3.52 -1.26 -1.46 118.95 119.89 2qr0 s ARG 66 Ca 0.15 -0.76 0.11 0.00 -0.13 0.00 0.00 55.73 55.10 2qr0 s ARG 66 Cb -0.00 -0.02 0.35 0.00 -1.56 0.00 0.00 34.95 33.72 2qr0 s ARG 66 CO 0.02 -0.02 0.80 0.45 -0.81 0.00 0.00 175.30 175.73 2qr0 n SER 67 N 1.31 0.34 -2.08 -2.12 2.88 0.08 -5.00 113.62 109.03 2qr0 n SER 67 Ca -0.22 -3.11 -0.16 0.00 -1.33 0.00 0.00 58.87 54.05 2qr0 n SER 67 Cb 0.56 -0.21 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 2qr0 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qr0 n GLY 68 N 0.28 0.24 0.00 0.46 0.00 -1.26 -3.29 105.19 101.61 2qr0 n GLY 68 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2qr0 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qr0 n THR 69 N -3.08 0.00 -3.15 2.61 -2.24 -1.26 -4.90 114.28 102.26 2qr0 n THR 69 Ca -0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 2qr0 n THR 69 Cb 0.60 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.76 2qr0 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qr0 s ASP 70 N 0.00 6.32 0.04 3.42 1.11 -1.21 -1.84 116.67 124.52 2qr0 s ASP 70 Ca 0.00 -0.30 0.00 0.00 0.18 0.00 0.00 52.55 52.44 2qr0 s ASP 70 Cb 0.00 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.65 2qr0 s ASP 70 CO 0.00 -0.70 0.14 -0.36 1.18 0.00 0.00 175.17 175.43 2qr0 s PHE 71 N 2.67 3.38 -0.20 4.23 0.40 -0.43 -0.74 117.98 127.30 2qr0 s PHE 71 Ca 0.21 0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.71 2qr0 s PHE 71 Cb -0.15 -1.72 0.09 0.00 0.51 0.00 0.00 43.02 41.75 2qr0 s PHE 71 CO 0.17 0.57 0.21 0.99 0.70 0.00 0.00 175.22 177.86 2qr0 s THR 72 N -1.38 -0.30 0.04 0.64 2.01 -0.53 0.12 115.64 116.24 2qr0 s THR 72 Ca 0.30 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.89 2qr0 s THR 72 Cb -0.12 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 2qr0 s THR 72 CO 0.22 -0.23 0.86 -0.22 -0.69 0.00 0.00 174.62 174.56 2qr0 s LEU 73 N 2.30 4.43 -0.12 4.42 0.20 0.21 -1.88 118.68 128.24 2qr0 s LEU 73 Ca 0.06 1.56 -0.00 0.00 0.69 0.00 0.00 54.13 56.44 2qr0 s LEU 73 Cb -0.16 -3.38 0.02 0.00 -0.43 0.00 0.00 46.19 42.25 2qr0 s LEU 73 CO -0.13 -0.08 -0.09 -0.89 -0.29 0.00 0.00 176.35 174.88 2qr0 s THR 74 N 0.26 1.11 -0.47 3.68 2.01 -0.25 -0.81 115.64 121.17 2qr0 s THR 74 Ca 0.43 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.91 2qr0 s THR 74 Cb -0.21 -1.11 0.05 0.00 0.01 0.00 0.00 72.50 71.23 2qr0 s THR 74 CO 0.25 0.38 0.49 -0.63 -0.69 0.00 0.00 174.62 174.43 2qr0 s ILE 75 N 1.67 5.05 0.25 1.82 1.01 -0.11 -2.07 121.20 128.83 2qr0 s ILE 75 Ca 0.05 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.20 2qr0 s ILE 75 Cb -0.13 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 2qr0 s ILE 75 CO -0.09 -0.61 1.56 0.77 0.00 0.00 0.00 174.94 176.58 2qr0 h SER 76 N 8.83 0.00 -1.93 3.58 4.64 -1.72 -0.52 113.55 126.43 2qr0 h SER 76 Ca -0.27 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.50 2qr0 h SER 76 Cb 1.10 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.82 2qr0 h SER 76 CO 0.88 0.67 -1.07 -0.24 -0.87 0.00 0.00 176.83 176.20 2qr0 n SER 77 N -3.73 -0.04 -4.49 4.97 2.88 -1.26 -4.20 113.62 107.76 2qr0 n SER 77 Ca -0.01 -2.69 -0.47 0.00 -1.33 0.00 0.00 58.87 54.37 2qr0 n SER 77 Cb 0.66 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 2qr0 n SER 77 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2qr0 n LEU 78 N 1.54 0.12 -4.01 2.46 7.94 -0.64 -4.53 117.00 119.87 2qr0 n LEU 78 Ca 0.21 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 56.17 2qr0 n LEU 78 Cb 0.53 -1.10 -0.11 0.00 0.53 0.00 0.00 43.42 43.27 2qr0 n LEU 78 CO 0.16 -2.26 -0.37 -1.10 -1.11 0.00 0.00 177.39 172.72 2qr0 s GLN 79 N -1.19 0.40 0.55 1.96 -0.21 -1.26 -0.12 119.66 119.79 2qr0 s GLN 79 Ca 0.62 -0.72 0.29 0.00 0.02 0.00 0.00 55.36 55.57 2qr0 s GLN 79 Cb -0.84 0.02 1.46 0.00 1.00 0.00 0.00 33.01 34.65 2qr0 s GLN 79 CO 0.58 -0.03 1.93 -1.00 -2.12 0.00 0.00 175.29 174.64 2qr0 h PRO 80 N 4.43 0.00 -0.13 2.91 0.13 -1.88 0.99 132.00 138.45 2qr0 h PRO 80 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2qr0 h PRO 80 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qr0 h PRO 80 CO 0.44 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.36 2qr0 n GLU 81 N -4.13 1.36 0.00 0.86 0.00 -1.05 -3.12 120.64 114.57 2qr0 n GLU 81 Ca 0.13 -0.56 0.13 0.00 0.00 0.00 0.00 57.16 56.86 2qr0 n GLU 81 Cb 0.77 -1.23 0.35 0.00 0.00 0.00 0.00 31.44 31.33 2qr0 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2qr0 n ASP 82 N -0.13 1.46 -4.52 -1.84 8.00 0.34 -4.88 116.55 114.97 2qr0 n ASP 82 Ca 0.10 -1.24 -0.50 0.00 0.71 0.00 0.00 54.79 53.85 2qr0 n ASP 82 Cb 0.16 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 2qr0 n ASP 82 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2qr0 n PHE 83 N -0.16 1.80 -3.86 1.24 7.35 -1.18 -4.84 117.46 117.80 2qr0 n PHE 83 Ca 0.14 0.21 -0.01 0.00 -0.76 0.00 0.00 57.45 57.03 2qr0 n PHE 83 Cb 0.39 -2.57 0.01 0.00 0.35 0.00 0.00 39.48 37.66 2qr0 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qr0 s ALA 84 N 6.61 -1.94 -0.17 3.13 0.00 -1.24 -4.82 121.76 123.33 2qr0 s ALA 84 Ca 1.05 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 2qr0 s ALA 84 Cb -0.79 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2qr0 s ALA 84 CO 0.49 -1.09 0.04 0.99 0.00 0.00 0.00 175.76 176.20 2qr0 s THR 85 N -2.28 4.62 -0.17 0.00 2.01 -0.55 -0.58 115.64 118.67 2qr0 s THR 85 Ca 0.22 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 2qr0 s THR 85 Cb -0.01 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 2qr0 s THR 85 CO 0.02 0.48 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.06 2qr0 s TYR 86 N 0.26 2.95 -0.12 4.92 1.51 -0.56 -0.65 117.35 125.67 2qr0 s TYR 86 Ca 0.02 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 2qr0 s TYR 86 Cb -0.13 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.72 2qr0 s TYR 86 CO 0.01 -0.25 -0.14 0.71 -1.11 0.00 0.00 175.55 174.77 2qr0 s TYR 87 N 0.76 2.79 0.60 2.71 2.02 -0.84 -1.69 117.35 123.70 2qr0 s TYR 87 Ca -0.02 -0.65 -0.07 0.00 -0.37 0.00 0.00 57.07 55.96 2qr0 s TYR 87 Cb -0.15 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.59 2qr0 s TYR 87 CO 0.02 -0.21 0.92 0.00 -1.57 0.00 0.00 175.55 174.71 2qr0 s GLN 89 N -5.03 0.53 -0.05 0.00 0.74 0.66 -2.91 119.66 113.61 2qr0 s GLN 89 Ca 0.54 1.21 -0.02 0.00 0.05 0.00 0.00 55.36 57.14 2qr0 s GLN 89 Cb -0.11 0.44 -0.04 0.00 1.10 0.00 0.00 33.01 34.40 2qr0 s GLN 89 CO 0.47 -0.19 0.08 -1.14 -0.55 0.00 0.00 175.29 173.96 2qr0 s GLN 90 N 2.29 3.15 0.00 1.67 -0.44 -0.19 0.36 119.66 126.50 2qr0 s GLN 90 Ca -0.07 -0.38 0.00 0.00 -2.50 0.00 0.00 55.36 52.41 2qr0 s GLN 90 Cb -0.10 -2.93 0.00 0.00 -1.64 0.00 0.00 33.01 28.34 2qr0 s GLN 90 CO -0.17 0.69 0.00 2.48 0.50 0.00 0.00 175.29 178.79 2qr0 n TYR 91 N 1.56 0.00 -2.64 1.67 0.18 -0.35 -0.20 117.16 117.38 2qr0 n TYR 91 Ca -0.16 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.57 2qr0 n TYR 91 Cb 0.53 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.45 2qr0 n TYR 91 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2qr0 n SER 92 N 0.00 -1.43 -4.65 9.48 3.41 -1.25 -4.73 113.62 114.44 2qr0 n SER 92 Ca 0.00 1.34 -0.45 0.00 -0.26 0.00 0.00 58.87 59.49 2qr0 n SER 92 Cb 0.00 -4.87 -0.03 0.00 -0.26 0.00 0.00 64.21 59.06 2qr0 n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qr0 n TYR 93 N 1.83 1.96 0.00 7.33 9.36 -1.26 -4.85 117.16 131.53 2qr0 n TYR 93 Ca -0.37 0.51 0.00 0.00 3.32 0.00 0.00 57.90 61.36 2qr0 n TYR 93 Cb 0.57 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 2qr0 n TYR 93 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2qr0 n TYR 94 N 1.54 0.00 -0.07 2.98 0.53 -1.26 -5.14 117.16 115.74 2qr0 n TYR 94 Ca 0.11 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.90 2qr0 n TYR 94 Cb 0.31 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.69 2qr0 n TYR 94 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 2qr0 h PRO 95 N 0.00 0.76 -2.85 -0.72 0.13 -1.95 -3.48 132.00 123.88 2qr0 h PRO 95 Ca 0.00 -0.34 0.07 0.00 -0.87 0.00 0.00 66.00 64.85 2qr0 h PRO 95 Cb 0.00 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.08 2qr0 h PRO 95 CO 0.00 0.96 0.32 -0.59 -0.23 0.00 0.00 178.00 178.46 2qr0 s PHE 96 N -4.47 -0.05 -0.00 1.56 -0.12 -1.26 -3.90 117.98 109.74 2qr0 s PHE 96 Ca -0.09 -0.45 -0.17 0.00 -0.05 0.00 0.00 56.93 56.16 2qr0 s PHE 96 Cb 0.12 0.74 0.03 0.00 -0.63 0.00 0.00 43.02 43.29 2qr0 s PHE 96 CO 0.84 -1.26 0.37 0.99 -0.05 0.00 0.00 175.22 176.11 2qr0 s THR 97 N -3.10 0.05 0.53 -4.49 2.01 0.72 -4.98 115.64 106.39 2qr0 s THR 97 Ca 0.14 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.76 2qr0 s THR 97 Cb -0.05 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.75 2qr0 s THR 97 CO 0.08 -0.25 0.54 -0.36 -0.69 0.00 0.00 174.62 173.93 2qr0 s PHE 98 N -1.68 1.78 0.56 4.92 0.40 -1.26 -1.03 117.98 121.67 2qr0 s PHE 98 Ca -0.11 -0.73 0.06 0.00 -0.60 0.00 0.00 56.93 55.56 2qr0 s PHE 98 Cb -0.03 -2.08 0.05 0.00 0.51 0.00 0.00 43.02 41.48 2qr0 s PHE 98 CO 0.03 -0.64 0.51 0.20 0.70 0.00 0.00 175.22 176.01 2qr0 s GLY 99 N -4.39 2.21 0.01 4.36 0.00 -1.15 -4.25 107.32 104.11 2qr0 s GLY 99 Ca 0.47 -1.46 0.28 0.00 0.00 0.00 0.00 44.72 44.00 2qr0 s GLY 99 CO 0.29 -1.88 1.79 -1.06 0.00 0.00 0.00 173.10 172.24 2qr0 n GLN 100 N -1.90 0.01 0.00 2.90 3.00 -1.26 -4.89 117.38 115.23 2qr0 n GLN 100 Ca 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2qr0 n GLN 100 Cb 0.64 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.37 2qr0 n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qr0 n GLY 101 N 1.49 2.15 2.67 1.08 0.00 -1.26 -5.02 105.19 106.31 2qr0 n GLY 101 Ca 0.07 -2.01 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 2qr0 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qr0 s THR 102 N -2.38 -0.23 -0.37 2.61 2.01 -0.68 -4.72 115.64 111.87 2qr0 s THR 102 Ca 0.00 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.82 2qr0 s THR 102 Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.60 2qr0 s THR 102 CO 0.00 -0.64 1.44 -0.54 -0.69 0.00 0.00 174.62 174.19 2qr0 s LYS 103 N 1.82 3.64 0.15 4.92 1.02 -0.91 -1.49 119.74 128.88 2qr0 s LYS 103 Ca 0.13 1.10 -0.06 0.00 0.02 0.00 0.00 55.97 57.16 2qr0 s LYS 103 Cb -0.16 -4.01 -0.06 0.00 -0.52 0.00 0.00 37.83 33.08 2qr0 s LYS 103 CO -0.19 -1.48 0.39 0.08 -0.92 0.00 0.00 175.35 173.23 2qr0 s VAL 104 N 5.34 5.14 0.19 3.17 1.01 0.25 -1.56 120.40 133.94 2qr0 s VAL 104 Ca 0.63 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.74 2qr0 s VAL 104 Cb -0.16 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2qr0 s VAL 104 CO 0.31 0.05 -0.01 -1.61 0.00 0.00 0.00 175.10 173.83 2qr0 s GLU 105 N -2.62 1.18 -0.08 2.72 0.41 0.12 -3.70 118.70 116.73 2qr0 s GLU 105 Ca 0.41 -1.57 -0.01 0.00 -0.41 0.00 0.00 54.97 53.39 2qr0 s GLU 105 Cb -0.12 -0.43 -0.03 0.00 -1.78 0.00 0.00 34.13 31.76 2qr0 s GLU 105 CO 0.24 -0.09 -0.02 0.42 -0.49 0.00 0.00 175.26 175.32 2qr0 s ILE 106 N -3.53 4.12 -0.19 -1.63 -1.09 -1.26 -2.74 121.20 114.88 2qr0 s ILE 106 Ca 0.24 -0.32 -0.08 0.00 -2.23 0.00 0.00 60.65 58.26 2qr0 s ILE 106 Cb 0.05 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 2qr0 s ILE 106 CO 0.05 0.60 0.09 -0.54 -1.23 0.00 0.00 174.94 173.90 2qr0 s LYS 107 N -0.79 4.03 0.31 2.79 1.02 0.70 -4.83 119.74 122.97 2qr0 s LYS 107 Ca 0.12 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 55.87 2qr0 s LYS 107 Cb -0.11 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2qr0 s LYS 107 CO 0.02 0.26 0.27 2.89 -0.92 0.00 0.00 175.35 177.87 2qr0 n ARG 108 N 3.60 0.39 -1.64 1.68 -4.01 -1.26 -3.77 116.66 111.64 2qr0 n ARG 108 Ca -0.16 -3.11 -0.33 0.00 -1.04 0.00 0.00 57.85 53.21 2qr0 n ARG 108 Cb 0.52 2.56 0.06 0.00 -3.04 0.00 0.00 32.46 32.56 2qr0 n ARG 108 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 2qr0 s THR 109 N -3.26 2.93 0.17 8.89 -4.23 -1.26 -4.94 115.64 113.94 2qr0 s THR 109 Ca 0.37 0.44 -0.31 0.00 -1.18 0.00 0.00 61.69 61.01 2qr0 s THR 109 Cb 0.02 -2.96 -0.10 0.00 1.34 0.00 0.00 72.50 70.80 2qr0 s THR 109 CO 0.26 -0.26 1.54 -0.69 -0.54 0.00 0.00 174.62 174.93 2qr0 s VAL 110 N -2.23 2.69 -0.04 2.29 1.01 -1.26 -4.80 120.40 118.06 2qr0 s VAL 110 Ca 0.69 0.50 0.02 0.00 0.00 0.00 0.00 61.98 63.19 2qr0 s VAL 110 Cb -0.23 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.84 2qr0 s VAL 110 CO 0.43 0.04 -0.09 0.00 0.00 0.00 0.00 175.10 175.48 2qr0 s ALA 111 N 1.04 0.90 0.09 5.51 0.00 -0.65 -4.95 121.76 123.70 2qr0 s ALA 111 Ca 0.69 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 2qr0 s ALA 111 Cb -0.43 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.25 2qr0 s ALA 111 CO 0.32 0.11 0.49 0.00 0.00 0.00 0.00 175.76 176.68 2qr0 s ALA 112 N 0.41 3.64 0.34 0.00 0.00 -1.26 -1.21 121.76 123.67 2qr0 s ALA 112 Ca -0.07 -0.17 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 2qr0 s ALA 112 Cb -0.11 -2.46 -0.09 0.00 0.00 0.00 0.00 23.12 20.46 2qr0 s ALA 112 CO 0.01 0.47 1.13 -1.25 0.00 0.00 0.00 175.76 176.12 2qr0 s PRO 113 N -1.59 4.37 -0.11 0.00 0.04 -1.26 -4.64 135.00 131.81 2qr0 s PRO 113 Ca 0.32 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 62.88 2qr0 s PRO 113 Cb -0.16 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 2qr0 s PRO 113 CO 0.18 -0.03 0.92 -1.12 0.04 0.00 0.00 177.00 176.99 2qr0 s SER 114 N -1.04 7.15 -0.12 6.66 0.01 -0.92 -4.87 113.70 120.57 2qr0 s SER 114 Ca 0.51 1.41 -0.03 0.00 1.31 0.00 0.00 55.95 59.14 2qr0 s SER 114 Cb -0.30 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 2qr0 s SER 114 CO 0.39 -0.38 -0.00 -0.69 0.41 0.00 0.00 173.24 172.97 2qr0 s VAL 115 N 1.83 4.26 0.08 3.43 1.01 -1.26 -1.55 120.40 128.19 2qr0 s VAL 115 Ca 0.45 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.21 2qr0 s VAL 115 Cb -0.18 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2qr0 s VAL 115 CO 0.17 0.55 -0.09 -0.36 0.00 0.00 0.00 175.10 175.37 2qr0 s PHE 116 N -0.32 0.95 -0.01 5.22 0.08 -0.14 -5.00 117.98 118.77 2qr0 s PHE 116 Ca 0.06 -0.66 0.02 0.00 0.12 0.00 0.00 56.93 56.47 2qr0 s PHE 116 Cb -0.12 -0.53 0.00 0.00 -0.57 0.00 0.00 43.02 41.79 2qr0 s PHE 116 CO 0.02 -0.04 -0.06 -1.50 -0.10 0.00 0.00 175.22 173.54 2qr0 s ILE 117 N -2.40 0.47 -0.12 0.64 2.07 -1.26 -0.10 121.20 120.50 2qr0 s ILE 117 Ca 0.03 -0.23 0.02 0.00 -1.41 0.00 0.00 60.65 59.07 2qr0 s ILE 117 Cb -0.03 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.15 2qr0 s ILE 117 CO -0.01 0.15 -0.19 -0.36 -1.91 0.00 0.00 174.94 172.62 2qr0 s PHE 118 N 0.06 2.37 0.70 3.50 0.08 0.11 -5.00 117.98 119.79 2qr0 s PHE 118 Ca -0.00 -1.15 -0.11 0.00 0.12 0.00 0.00 56.93 55.79 2qr0 s PHE 118 Cb -0.05 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 2qr0 s PHE 118 CO -0.00 -0.54 1.07 -1.25 -0.10 0.00 0.00 175.22 174.39 2qr0 s PRO 119 N 0.85 2.92 0.57 0.24 0.04 -1.26 -1.75 135.00 136.61 2qr0 s PRO 119 Ca -0.08 0.74 -0.20 0.00 0.04 0.00 0.00 61.00 61.50 2qr0 s PRO 119 Cb -0.15 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2qr0 s PRO 119 CO -0.01 -1.06 1.24 -2.14 0.04 0.00 0.00 177.00 175.07 2qr0 s PRO 120 N -5.17 3.09 0.43 0.56 0.02 -1.22 -4.86 135.00 127.85 2qr0 s PRO 120 Ca 0.58 1.93 -0.24 0.00 0.02 0.00 0.00 61.00 63.28 2qr0 s PRO 120 Cb -0.13 -2.06 -0.08 0.00 0.02 0.00 0.00 34.50 32.25 2qr0 s PRO 120 CO 0.54 -1.13 1.16 0.45 -0.33 0.00 0.00 177.00 177.69 2qr0 s SER 121 N -1.40 6.38 0.46 2.53 0.15 -1.26 -4.93 113.70 115.62 2qr0 s SER 121 Ca 0.75 2.31 0.13 0.00 0.70 0.00 0.00 55.95 59.84 2qr0 s SER 121 Cb -0.33 -2.61 1.05 0.00 -1.71 0.00 0.00 66.02 62.43 2qr0 s SER 121 CO 0.37 -0.77 2.05 0.44 1.20 0.00 0.00 173.24 176.52 2qr0 h ASP 122 N 2.37 0.09 -0.06 5.45 3.45 -2.00 -1.38 116.42 124.34 2qr0 h ASP 122 Ca -0.49 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 56.88 2qr0 h ASP 122 Cb 1.24 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 2qr0 h ASP 122 CO 0.61 0.16 -0.20 -0.08 -1.57 0.00 0.00 179.24 178.17 2qr0 h GLU 123 N 0.10 0.45 -0.30 3.56 4.81 -2.01 -3.05 114.58 118.13 2qr0 h GLU 123 Ca 0.02 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 58.92 2qr0 h GLU 123 Cb 0.17 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2qr0 h GLU 123 CO 0.01 0.63 -0.53 0.37 -0.73 0.00 0.00 179.01 178.76 2qr0 h GLN 124 N 0.41 0.90 -0.10 1.92 4.15 -1.62 -3.18 115.11 117.58 2qr0 h GLN 124 Ca 0.07 -0.56 0.03 0.00 0.77 0.00 0.00 58.65 58.96 2qr0 h GLN 124 Cb 0.58 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 2qr0 h GLN 124 CO 0.04 1.19 0.07 -0.07 -1.93 0.00 0.00 178.83 178.14 2qr0 h LEU 125 N 0.69 0.00 -0.74 -2.39 4.07 -1.25 -1.54 115.31 114.16 2qr0 h LEU 125 Ca 0.02 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.01 2qr0 h LEU 125 Cb 1.14 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.83 2qr0 h LEU 125 CO 0.12 0.00 0.46 0.11 -1.08 0.00 0.00 178.44 178.05 2qr0 h LYS 126 N 0.00 0.88 0.00 1.13 1.79 -1.51 -2.93 116.57 115.93 2qr0 h LYS 126 Ca 0.05 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2qr0 h LYS 126 Cb 0.20 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2qr0 h LYS 126 CO -0.00 0.58 0.00 0.66 -1.08 0.00 0.00 179.45 179.61 2qr0 h SER 127 N 0.91 0.00 0.00 0.86 4.64 -1.40 -3.47 113.55 115.10 2qr0 h SER 127 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2qr0 h SER 127 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2qr0 h SER 127 CO -0.11 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.46 2qr0 n GLY 128 N 0.34 0.74 3.72 -0.77 0.00 -1.11 -5.09 105.19 103.02 2qr0 n GLY 128 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2qr0 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qr0 s THR 129 N -2.00 2.54 -0.14 2.61 -4.23 -1.25 -1.66 115.64 111.51 2qr0 s THR 129 Ca 0.00 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 58.73 2qr0 s THR 129 Cb 0.00 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.95 2qr0 s THR 129 CO 0.00 -0.08 0.24 0.00 -0.54 0.00 0.00 174.62 174.24 2qr0 s ALA 130 N -2.54 -0.44 -0.20 3.99 0.00 0.07 -3.74 121.76 118.90 2qr0 s ALA 130 Ca 0.39 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 2qr0 s ALA 130 Cb 0.02 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 22.07 2qr0 s ALA 130 CO 0.22 -0.77 -0.12 -1.12 0.00 0.00 0.00 175.76 173.97 2qr0 s SER 131 N 2.38 3.72 -0.11 0.00 0.01 -1.26 -0.24 113.70 118.20 2qr0 s SER 131 Ca 0.03 -0.52 -0.08 0.00 1.31 0.00 0.00 55.95 56.70 2qr0 s SER 131 Cb -0.13 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.45 2qr0 s SER 131 CO -0.09 -0.01 0.16 -0.69 0.41 0.00 0.00 173.24 173.02 2qr0 s VAL 132 N 1.39 5.47 -0.15 3.43 1.01 0.88 -3.41 120.40 129.02 2qr0 s VAL 132 Ca 0.05 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.30 2qr0 s VAL 132 Cb -0.14 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2qr0 s VAL 132 CO -0.08 0.61 -0.16 -0.69 0.00 0.00 0.00 175.10 174.78 2qr0 s VAL 133 N -0.97 1.69 -0.23 2.92 1.01 -0.72 0.11 120.40 124.21 2qr0 s VAL 133 Ca 0.15 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2qr0 s VAL 133 Cb -0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2qr0 s VAL 133 CO 0.04 0.48 0.12 0.00 0.00 0.00 0.00 175.10 175.74 2qr0 s LEU 135 N 0.98 2.77 -0.19 0.00 1.98 0.86 -0.57 118.68 124.51 2qr0 s LEU 135 Ca 0.06 -0.42 -0.06 0.00 -2.89 0.00 0.00 54.13 50.82 2qr0 s LEU 135 Cb -0.14 -1.69 -0.04 0.00 0.66 0.00 0.00 46.19 44.99 2qr0 s LEU 135 CO 0.03 0.01 0.04 -0.76 -1.89 0.00 0.00 176.35 173.78 2qr0 s LEU 136 N 1.29 3.60 -0.07 -0.68 1.02 0.17 -0.96 118.68 123.06 2qr0 s LEU 136 Ca 0.03 -0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.20 2qr0 s LEU 136 Cb -0.14 -1.91 0.00 0.00 0.02 0.00 0.00 46.19 44.16 2qr0 s LEU 136 CO -0.04 0.13 -0.19 0.21 0.02 0.00 0.00 176.35 176.49 2qr0 s ASN 137 N 0.61 2.41 -0.75 2.29 2.47 -0.60 0.40 114.94 121.77 2qr0 s ASN 137 Ca 0.02 -0.41 -0.03 0.00 0.42 0.00 0.00 52.86 52.85 2qr0 s ASN 137 Cb -0.13 -0.90 0.00 0.00 -1.45 0.00 0.00 41.25 38.77 2qr0 s ASN 137 CO 0.02 0.13 0.65 0.59 -3.72 0.00 0.00 177.10 174.77 2qr0 n ASN 138 N 3.39 -6.35 -4.10 -4.21 4.13 -0.53 -2.16 115.26 105.44 2qr0 n ASN 138 Ca -0.20 -0.45 -0.14 0.00 1.68 0.00 0.00 54.58 55.48 2qr0 n ASN 138 Cb 0.53 -3.47 -0.11 0.00 -1.54 0.00 0.00 39.78 35.18 2qr0 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2qr0 s PHE 139 N -2.89 0.80 0.00 3.10 -0.71 0.86 -4.41 117.98 114.75 2qr0 s PHE 139 Ca 0.04 -0.56 0.00 0.00 -1.04 0.00 0.00 56.93 55.37 2qr0 s PHE 139 Cb -0.01 -0.47 -0.00 0.00 -1.21 0.00 0.00 43.02 41.33 2qr0 s PHE 139 CO 0.82 -0.07 -0.01 -0.47 -1.34 0.00 0.00 175.22 174.16 2qr0 s TYR 140 N -1.72 0.08 0.82 3.49 6.14 -0.35 -0.17 117.35 125.64 2qr0 s TYR 140 Ca -0.05 -0.08 -0.14 0.00 0.64 0.00 0.00 57.07 57.44 2qr0 s TYR 140 Cb -0.08 -0.05 0.19 0.00 0.42 0.00 0.00 41.96 42.44 2qr0 s TYR 140 CO 0.00 -0.03 1.11 -2.30 0.64 0.00 0.00 175.55 174.98 2qr0 n PRO 141 N 2.86 -1.09 -0.06 4.97 -0.02 -1.26 -1.63 135.00 138.77 2qr0 n PRO 141 Ca -0.14 -1.72 -0.02 0.00 -2.02 0.00 0.00 63.50 59.60 2qr0 n PRO 141 Cb 0.59 -1.15 0.22 0.00 -0.02 0.00 0.00 33.50 33.14 2qr0 n PRO 141 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2qr0 h ARG 142 N 0.00 0.66 -5.35 -0.52 2.43 -1.98 -3.42 114.38 106.20 2qr0 h ARG 142 Ca -0.36 -0.17 -0.21 0.00 -0.81 0.00 0.00 59.98 58.43 2qr0 h ARG 142 Cb 0.99 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2qr0 h ARG 142 CO 0.25 0.69 0.84 0.39 -1.51 0.00 0.00 179.97 180.64 2qr0 n GLU 143 N -4.24 0.59 -4.10 0.20 4.71 -1.26 -4.89 120.64 111.65 2qr0 n GLU 143 Ca 0.02 -0.45 -0.14 0.00 -0.01 0.00 0.00 57.16 56.57 2qr0 n GLU 143 Cb 0.28 -3.15 -0.13 0.00 -1.01 0.00 0.00 31.44 27.43 2qr0 n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qr0 s ALA 144 N 11.91 0.42 -0.23 0.62 0.00 -1.26 -4.63 121.76 128.59 2qr0 s ALA 144 Ca 1.02 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 2qr0 s ALA 144 Cb -0.31 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2qr0 s ALA 144 CO 0.22 0.05 -0.06 0.21 0.00 0.00 0.00 175.76 176.19 2qr0 s LYS 145 N -0.55 3.07 -0.12 0.00 2.20 -0.89 -5.03 119.74 118.43 2qr0 s LYS 145 Ca -0.02 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.74 2qr0 s LYS 145 Cb -0.04 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 2qr0 s LYS 145 CO -0.00 -0.31 -0.02 0.08 -0.36 0.00 0.00 175.35 174.74 2qr0 s VAL 146 N 1.39 4.10 -0.03 4.02 1.01 -1.26 -1.25 120.40 128.38 2qr0 s VAL 146 Ca 0.03 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2qr0 s VAL 146 Cb -0.15 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.49 2qr0 s VAL 146 CO -0.04 0.55 -0.03 -1.58 0.00 0.00 0.00 175.10 174.00 2qr0 s GLN 147 N -0.32 0.55 0.18 2.72 0.74 -0.80 -4.97 119.66 117.76 2qr0 s GLN 147 Ca 0.06 -0.06 -0.11 0.00 0.05 0.00 0.00 55.36 55.30 2qr0 s GLN 147 Cb -0.12 -0.61 -0.07 0.00 1.10 0.00 0.00 33.01 33.31 2qr0 s GLN 147 CO 0.02 -0.06 0.53 -1.58 -0.55 0.00 0.00 175.29 173.65 2qr0 s TRP 148 N 0.71 3.51 -0.17 1.67 0.52 -1.26 0.42 118.94 124.33 2qr0 s TRP 148 Ca -0.08 0.92 -0.02 0.00 0.02 0.00 0.00 56.10 56.94 2qr0 s TRP 148 Cb -0.11 -2.28 0.05 0.00 -1.15 0.00 0.00 33.47 29.98 2qr0 s TRP 148 CO -0.01 0.36 0.01 0.15 0.02 0.00 0.00 176.95 177.49 2qr0 s LYS 149 N -2.39 0.86 -0.45 4.98 3.01 0.37 -3.52 119.74 122.61 2qr0 s LYS 149 Ca 0.42 -0.40 -0.12 0.00 -1.01 0.00 0.00 55.97 54.85 2qr0 s LYS 149 Cb -0.13 -1.96 0.07 0.00 -1.01 0.00 0.00 37.83 34.80 2qr0 s LYS 149 CO 0.20 -0.55 0.33 0.08 0.51 0.00 0.00 175.35 175.92 2qr0 s VAL 150 N 1.80 4.75 -1.22 3.17 1.01 -0.86 -0.86 120.40 128.19 2qr0 s VAL 150 Ca -0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 61.98 60.70 2qr0 s VAL 150 Cb -0.16 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2qr0 s VAL 150 CO -0.07 -0.54 0.77 0.47 0.00 0.00 0.00 175.10 175.73 2qr0 n ASP 151 N 5.06 -3.12 -2.49 3.32 8.00 -0.00 -2.48 116.55 124.85 2qr0 n ASP 151 Ca -0.11 -0.84 -0.16 0.00 0.71 0.00 0.00 54.79 54.38 2qr0 n ASP 151 Cb 0.43 -4.12 -0.01 0.00 -0.02 0.00 0.00 41.12 37.41 2qr0 n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qr0 n ASN 152 N -3.00 -4.66 -4.29 -2.24 4.13 -1.26 -4.98 115.26 98.96 2qr0 n ASN 152 Ca -0.21 0.08 -0.33 0.00 1.68 0.00 0.00 54.58 55.80 2qr0 n ASN 152 Cb 0.65 -3.91 -0.15 0.00 -1.54 0.00 0.00 39.78 34.82 2qr0 n ASN 152 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qr0 s ALA 153 N -2.79 2.54 1.30 5.41 0.00 -1.03 -5.09 121.76 122.09 2qr0 s ALA 153 Ca 0.03 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 2qr0 s ALA 153 Cb -0.01 -1.25 0.33 0.00 0.00 0.00 0.00 23.12 22.18 2qr0 s ALA 153 CO 0.04 -0.00 0.95 1.47 0.00 0.00 0.00 175.76 178.21 2qr0 n LEU 154 N 4.00 -1.44 -4.21 0.00 -0.00 -1.26 -2.03 117.00 112.06 2qr0 n LEU 154 Ca -0.19 -0.43 -0.14 0.00 -0.00 0.00 0.00 56.01 55.25 2qr0 n LEU 154 Cb 0.52 -1.16 -0.11 0.00 -0.00 0.00 0.00 43.42 42.67 2qr0 n LEU 154 CO 0.29 -3.79 -0.42 -1.10 -0.00 0.00 0.00 177.39 172.37 2qr0 s GLN 155 N -4.58 0.93 -0.06 1.47 -1.52 -1.23 -4.79 119.66 109.88 2qr0 s GLN 155 Ca 0.68 -1.27 0.02 0.00 -1.95 0.00 0.00 55.36 52.84 2qr0 s GLN 155 Cb -0.21 -0.57 0.02 0.00 -0.22 0.00 0.00 33.01 32.02 2qr0 s GLN 155 CO 0.63 0.08 -0.09 -1.12 -0.25 0.00 0.00 175.29 174.54 2qr0 s SER 156 N -2.72 1.47 -0.34 5.90 0.01 -1.26 -4.93 113.70 111.83 2qr0 s SER 156 Ca 0.10 -0.24 -0.04 0.00 1.31 0.00 0.00 55.95 57.08 2qr0 s SER 156 Cb -0.01 -0.69 0.04 0.00 0.21 0.00 0.00 66.02 65.58 2qr0 s SER 156 CO 0.00 0.00 0.11 0.61 0.41 0.00 0.00 173.24 174.37 2qr0 n GLY 157 N 3.89 -0.11 0.11 3.44 0.00 -1.26 -4.61 105.19 106.65 2qr0 n GLY 157 Ca -0.24 0.01 0.09 0.00 0.00 0.00 0.00 46.02 45.89 2qr0 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qr0 n ASN 158 N -0.14 2.22 -3.80 1.61 2.04 -1.26 -5.01 115.26 110.91 2qr0 n ASN 158 Ca 0.02 -3.07 -0.13 0.00 -0.44 0.00 0.00 54.58 50.97 2qr0 n ASN 158 Cb 0.12 -0.42 -0.11 0.00 -2.53 0.00 0.00 39.78 36.83 2qr0 n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2qr0 s SER 159 N -2.81 -0.22 0.03 0.53 1.04 -1.26 -1.96 113.70 109.05 2qr0 s SER 159 Ca 0.31 0.39 0.06 0.00 0.48 0.00 0.00 55.95 57.19 2qr0 s SER 159 Cb 0.27 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 2qr0 s SER 159 CO 0.02 -0.13 -0.18 -1.10 0.98 0.00 0.00 173.24 172.84 2qr0 s GLN 160 N -0.09 1.24 -0.09 4.02 -0.21 -1.01 -4.92 119.66 118.61 2qr0 s GLN 160 Ca -0.02 -0.79 -0.02 0.00 0.02 0.00 0.00 55.36 54.55 2qr0 s GLN 160 Cb -0.02 -1.28 -0.03 0.00 1.00 0.00 0.00 33.01 32.67 2qr0 s GLN 160 CO 0.01 0.33 0.02 -1.21 -2.12 0.00 0.00 175.29 172.32 2qr0 s GLU 161 N -0.94 3.04 -0.04 2.91 2.02 -1.26 -0.87 118.70 123.56 2qr0 s GLU 161 Ca 0.05 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.70 2qr0 s GLU 161 Cb -0.08 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.31 2qr0 s GLU 161 CO 0.01 0.71 -0.13 0.45 0.02 0.00 0.00 175.26 176.32 2qr0 s SER 162 N -0.93 1.79 -0.12 -0.19 0.15 0.01 -5.00 113.70 109.40 2qr0 s SER 162 Ca 0.14 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.52 2qr0 s SER 162 Cb -0.11 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2qr0 s SER 162 CO 0.03 0.09 -0.21 -0.69 1.20 0.00 0.00 173.24 173.66 2qr0 s VAL 163 N 0.27 2.24 0.68 4.45 1.01 -1.26 -0.76 120.40 127.02 2qr0 s VAL 163 Ca -0.07 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 2qr0 s VAL 163 Cb -0.12 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2qr0 s VAL 163 CO 0.02 0.55 0.88 0.41 0.00 0.00 0.00 175.10 176.96 2qr0 n THR 164 N 3.73 2.96 -3.22 3.92 -1.04 0.92 -4.99 114.28 116.56 2qr0 n THR 164 Ca -0.19 -0.42 -0.35 0.00 -2.04 0.00 0.00 64.05 61.04 2qr0 n THR 164 Cb 0.52 -1.04 -0.06 0.00 -1.82 0.00 0.00 70.33 67.93 2qr0 n THR 164 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2qr0 s GLU 165 N -3.01 4.10 0.11 -2.82 2.56 -1.26 -4.56 118.70 113.82 2qr0 s GLU 165 Ca 0.73 0.67 -0.35 0.00 0.00 0.00 0.00 54.97 56.02 2qr0 s GLU 165 Cb -0.37 -2.86 -0.17 0.00 2.00 0.00 0.00 34.13 32.73 2qr0 s GLU 165 CO 0.50 0.41 1.23 0.94 -0.56 0.00 0.00 175.26 177.79 2qr0 n GLN 166 N 0.65 1.02 -2.12 4.30 7.27 -1.26 -4.86 117.38 122.38 2qr0 n GLN 166 Ca -0.03 0.37 -0.38 0.00 0.07 0.00 0.00 57.00 57.03 2qr0 n GLN 166 Cb 0.52 -1.93 0.00 0.00 2.41 0.00 0.00 30.24 31.24 2qr0 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2qr0 s ASP 167 N 0.23 5.95 0.26 1.69 2.15 -0.76 -4.94 116.67 121.25 2qr0 s ASP 167 Ca 0.81 2.45 0.14 0.00 0.43 0.00 0.00 52.55 56.37 2qr0 s ASP 167 Cb -0.95 -2.61 0.04 0.00 -0.30 0.00 0.00 42.92 39.10 2qr0 s ASP 167 CO 0.50 -1.08 1.43 0.77 -0.17 0.00 0.00 175.17 176.62 2qr0 h SER 168 N 1.95 0.00 0.00 -0.34 4.64 -1.89 -2.90 113.55 115.01 2qr0 h SER 168 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2qr0 h SER 168 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2qr0 h SER 168 CO 0.60 0.58 -0.10 0.11 -0.87 0.00 0.00 176.83 177.15 2qr0 h LYS 169 N 0.00 0.00 0.00 4.77 1.57 -1.93 -2.78 116.57 118.21 2qr0 h LYS 169 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qr0 h LYS 169 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 2qr0 h LYS 169 CO 0.08 0.00 -0.83 -0.40 -0.57 0.00 0.00 179.45 177.73 2qr0 n ASP 170 N -2.80 0.80 -0.84 0.86 5.68 -1.26 -4.82 116.55 114.17 2qr0 n ASP 170 Ca -0.01 -0.70 -0.10 0.00 -0.50 0.00 0.00 54.79 53.48 2qr0 n ASP 170 Cb 0.05 0.73 -0.03 0.00 -1.14 0.00 0.00 41.12 40.73 2qr0 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2qr0 n SER 171 N -1.52 -3.97 -4.94 -1.12 7.64 -1.09 -4.99 113.62 103.62 2qr0 n SER 171 Ca 0.04 0.18 -0.24 0.00 1.01 0.00 0.00 58.87 59.86 2qr0 n SER 171 Cb 0.34 -2.55 0.05 0.00 -1.01 0.00 0.00 64.21 61.04 2qr0 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2qr0 s THR 172 N -2.39 2.62 0.35 0.44 -4.23 -1.26 -4.54 115.64 106.63 2qr0 s THR 172 Ca 0.00 -0.38 0.08 0.00 -1.18 0.00 0.00 61.69 60.22 2qr0 s THR 172 Cb 0.00 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.72 2qr0 s THR 172 CO 0.00 -0.07 0.08 -0.31 -0.54 0.00 0.00 174.62 173.79 2qr0 s TYR 173 N -3.03 2.62 0.05 3.99 1.51 0.76 -1.83 117.35 121.42 2qr0 s TYR 173 Ca 0.58 -0.43 -0.00 0.00 -1.01 0.00 0.00 57.07 56.21 2qr0 s TYR 173 Cb -0.11 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 2qr0 s TYR 173 CO 0.42 0.39 -0.04 -1.12 -1.11 0.00 0.00 175.55 174.10 2qr0 s SER 174 N -3.79 0.57 -0.16 2.29 0.01 -1.26 -0.10 113.70 111.26 2qr0 s SER 174 Ca 0.37 -0.87 -0.13 0.00 1.31 0.00 0.00 55.95 56.62 2qr0 s SER 174 Cb -0.01 0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.42 2qr0 s SER 174 CO 0.21 -0.49 0.42 -0.22 0.41 0.00 0.00 173.24 173.57 2qr0 s LEU 175 N -2.56 0.22 -0.10 2.44 0.20 0.16 -0.05 118.68 118.98 2qr0 s LEU 175 Ca 0.02 0.87 0.03 0.00 0.69 0.00 0.00 54.13 55.75 2qr0 s LEU 175 Cb 0.03 1.44 -0.00 0.00 -0.43 0.00 0.00 46.19 47.22 2qr0 s LEU 175 CO -0.07 -0.16 -0.22 -0.94 -0.29 0.00 0.00 176.35 174.67 2qr0 s SER 176 N 0.59 3.26 -0.16 3.68 1.04 0.06 0.42 113.70 122.59 2qr0 s SER 176 Ca -0.03 -0.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.86 2qr0 s SER 176 Cb -0.05 -1.42 -0.02 0.00 0.10 0.00 0.00 66.02 64.64 2qr0 s SER 176 CO -0.04 0.17 -0.06 -0.55 0.98 0.00 0.00 173.24 173.74 2qr0 s SER 177 N 0.31 4.55 -0.33 7.02 0.15 0.27 -0.81 113.70 124.86 2qr0 s SER 177 Ca -0.17 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.30 2qr0 s SER 177 Cb -0.17 -1.74 0.09 0.00 -1.71 0.00 0.00 66.02 62.49 2qr0 s SER 177 CO 0.08 0.15 0.03 -0.89 1.20 0.00 0.00 173.24 173.81 2qr0 s THR 178 N 0.48 2.45 -0.42 6.45 2.01 -0.05 -0.33 115.64 126.24 2qr0 s THR 178 Ca -0.05 -2.09 -0.25 0.00 0.31 0.00 0.00 61.69 59.62 2qr0 s THR 178 Cb -0.15 -2.69 0.02 0.00 0.01 0.00 0.00 72.50 69.70 2qr0 s THR 178 CO 0.03 -0.46 0.86 -0.22 -0.69 0.00 0.00 174.62 174.15 2qr0 s LEU 179 N 1.00 4.08 -0.17 4.42 2.96 0.12 -2.41 118.68 128.67 2qr0 s LEU 179 Ca 0.05 0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 54.13 2qr0 s LEU 179 Cb -0.20 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.33 2qr0 s LEU 179 CO -0.06 -0.91 0.05 -0.89 -1.32 0.00 0.00 176.35 173.22 2qr0 s THR 180 N 3.45 4.67 0.24 3.68 2.01 -0.83 -0.08 115.64 128.78 2qr0 s THR 180 Ca 0.35 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2qr0 s THR 180 Cb -0.12 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2qr0 s THR 180 CO 0.22 0.47 0.18 -0.76 -0.69 0.00 0.00 174.62 174.04 2qr0 s LEU 181 N 0.31 1.30 0.55 4.42 1.43 0.67 -4.85 118.68 122.51 2qr0 s LEU 181 Ca 0.02 -1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 51.56 2qr0 s LEU 181 Cb -0.13 0.46 -0.04 0.00 0.03 0.00 0.00 46.19 46.52 2qr0 s LEU 181 CO 0.01 -0.91 0.90 -0.94 0.23 0.00 0.00 176.35 175.64 2qr0 s SER 182 N -3.22 6.23 0.21 2.29 1.04 -1.26 -0.76 113.70 118.24 2qr0 s SER 182 Ca 0.39 1.15 -0.10 0.00 0.48 0.00 0.00 55.95 57.88 2qr0 s SER 182 Cb 0.06 -2.34 0.17 0.00 0.10 0.00 0.00 66.02 64.00 2qr0 s SER 182 CO 0.16 -0.73 1.88 0.50 0.98 0.00 0.00 173.24 176.04 2qr0 h LYS 183 N -0.04 1.04 -0.27 4.02 3.64 -1.55 -0.01 116.57 123.41 2qr0 h LYS 183 Ca -0.46 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 2qr0 h LYS 183 Cb 1.20 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2qr0 h LYS 183 CO 0.62 0.70 0.04 0.00 -2.27 0.00 0.00 179.45 178.54 2qr0 h ALA 184 N 1.28 0.35 -0.51 5.00 0.00 -1.94 0.20 119.26 123.63 2qr0 h ALA 184 Ca 0.29 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2qr0 h ALA 184 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2qr0 h ALA 184 CO -0.06 0.04 -0.10 0.22 0.00 0.00 0.00 179.25 179.35 2qr0 h ASP 185 N 0.25 0.94 -0.42 0.00 3.58 -1.93 -2.78 116.42 116.06 2qr0 h ASP 185 Ca 0.08 -0.30 -0.06 0.00 0.42 0.00 0.00 57.03 57.17 2qr0 h ASP 185 Cb 0.33 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2qr0 h ASP 185 CO 0.01 1.05 0.04 0.22 -2.88 0.00 0.00 179.24 177.68 2qr0 h TYR 186 N 0.84 0.84 0.00 0.28 5.03 -0.88 -2.95 116.97 120.14 2qr0 h TYR 186 Ca 0.14 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2qr0 h TYR 186 Cb 0.64 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.68 2qr0 h TYR 186 CO 0.04 0.75 0.00 0.39 -1.32 0.00 0.00 178.16 178.02 2qr0 n GLU 187 N -4.24 0.87 -0.35 1.82 -0.58 0.05 -3.28 120.64 114.93 2qr0 n GLU 187 Ca 0.03 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.84 2qr0 n GLU 187 Cb 0.27 -1.46 0.22 0.00 -0.57 0.00 0.00 31.44 29.91 2qr0 n GLU 187 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qr0 n LYS 188 N -0.96 3.01 -3.91 3.49 3.00 -1.11 -4.98 118.16 116.70 2qr0 n LYS 188 Ca 0.19 -2.51 -0.10 0.00 -0.00 0.00 0.00 58.31 55.89 2qr0 n LYS 188 Cb 0.09 -1.60 -0.10 0.00 0.00 0.00 0.00 35.03 33.42 2qr0 n LYS 188 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2qr0 s HIS 189 N -1.94 0.15 -0.19 5.64 3.76 -1.21 -5.10 115.29 116.41 2qr0 s HIS 189 Ca 0.35 -0.37 -0.05 0.00 -0.15 0.00 0.00 55.06 54.83 2qr0 s HIS 189 Cb 0.24 -0.11 -0.10 0.00 1.11 0.00 0.00 32.58 33.72 2qr0 s HIS 189 CO 0.13 -0.32 -0.21 0.36 -0.85 0.00 0.00 174.74 173.85 2qr0 n LYS 190 N 1.08 0.43 -3.50 1.40 2.85 -1.26 -4.88 118.16 114.29 2qr0 n LYS 190 Ca -0.21 0.15 -0.38 0.00 -1.05 0.00 0.00 58.31 56.82 2qr0 n LYS 190 Cb 0.57 -1.27 -0.10 0.00 -0.65 0.00 0.00 35.03 33.58 2qr0 n LYS 190 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2qr0 s VAL 191 N -2.36 5.25 -0.08 0.58 1.01 -1.26 -3.33 120.40 120.20 2qr0 s VAL 191 Ca -0.26 0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2qr0 s VAL 191 Cb 0.09 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2qr0 s VAL 191 CO 0.38 0.21 -0.18 -0.31 0.00 0.00 0.00 175.10 175.20 2qr0 s TYR 192 N 1.88 2.64 -0.18 5.22 1.51 -0.86 -0.82 117.35 126.73 2qr0 s TYR 192 Ca 0.11 -0.52 -0.16 0.00 -1.01 0.00 0.00 57.07 55.49 2qr0 s TYR 192 Cb -0.16 -1.68 0.05 0.00 -0.11 0.00 0.00 41.96 40.05 2qr0 s TYR 192 CO 0.10 -0.08 0.48 0.00 -1.11 0.00 0.00 175.55 174.94 2qr0 s ALA 193 N -0.19 -1.19 -0.09 3.71 0.00 -0.04 -1.20 121.76 122.77 2qr0 s ALA 193 Ca -0.01 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.35 2qr0 s ALA 193 Cb -0.13 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 2qr0 s ALA 193 CO 0.03 -0.23 -0.14 0.00 0.00 0.00 0.00 175.76 175.42 2qr0 s GLU 195 N -0.21 2.66 -0.18 0.00 2.12 0.17 -2.31 118.70 120.94 2qr0 s GLU 195 Ca 0.00 -1.14 -0.15 0.00 0.36 0.00 0.00 54.97 54.04 2qr0 s GLU 195 Cb -0.13 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2qr0 s GLU 195 CO 0.03 -0.60 0.36 0.08 -0.54 0.00 0.00 175.26 174.59 2qr0 s VAL 196 N 1.37 5.24 -0.22 3.70 1.01 0.03 -1.90 120.40 129.64 2qr0 s VAL 196 Ca -0.02 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2qr0 s VAL 196 Cb -0.19 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.53 2qr0 s VAL 196 CO 0.01 0.31 -0.16 -0.89 0.00 0.00 0.00 175.10 174.37 2qr0 s THR 197 N 0.97 2.14 0.02 3.92 2.01 -0.38 -2.45 115.64 121.87 2qr0 s THR 197 Ca 0.18 -1.23 -0.02 0.00 0.31 0.00 0.00 61.69 60.94 2qr0 s THR 197 Cb -0.14 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 2qr0 s THR 197 CO 0.07 0.29 0.01 -2.28 -0.69 0.00 0.00 174.62 172.01 2qr0 s HIS 198 N 1.21 0.22 0.54 4.92 2.46 -1.26 -2.09 115.29 121.29 2qr0 s HIS 198 Ca -0.01 -0.46 0.22 0.00 0.47 0.00 0.00 55.06 55.28 2qr0 s HIS 198 Cb -0.16 -0.16 1.40 0.00 -0.13 0.00 0.00 32.58 33.53 2qr0 s HIS 198 CO -0.09 -0.22 2.09 0.37 -2.47 0.00 0.00 174.74 174.42 2qr0 h GLN 199 N 4.53 0.00 0.00 2.88 4.15 -1.93 -3.31 115.11 121.43 2qr0 h GLN 199 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.10 2qr0 h GLN 199 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 2qr0 h GLN 199 CO 0.42 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.73 2qr0 n GLY 200 N -1.55 -1.60 3.76 2.39 0.00 -1.26 -4.81 105.19 102.13 2qr0 n GLY 200 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2qr0 n GLY 200 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qr0 s LEU 201 N -2.86 3.73 -0.03 0.99 -0.00 -1.25 -4.88 118.68 114.39 2qr0 s LEU 201 Ca 0.00 2.31 -0.19 0.00 -0.00 0.00 0.00 54.13 56.25 2qr0 s LEU 201 Cb 0.00 -4.56 -0.33 0.00 -0.00 0.00 0.00 46.19 41.30 2qr0 s LEU 201 CO 0.00 -1.40 0.90 0.77 -0.00 0.00 0.00 176.35 176.62 2qr0 h SER 202 N 1.10 0.60 -3.65 1.48 4.64 -1.87 -3.43 113.55 112.41 2qr0 h SER 202 Ca -0.50 -0.94 -0.69 0.00 -0.47 0.00 0.00 61.79 59.19 2qr0 h SER 202 Cb 1.28 -0.19 -0.28 0.00 -0.31 0.00 0.00 62.40 62.90 2qr0 h SER 202 CO 0.56 1.53 -0.61 -0.55 -0.87 0.00 0.00 176.83 176.89 2qr0 s SER 203 N -7.20 5.26 -0.71 4.97 0.15 -1.26 -5.02 113.70 109.88 2qr0 s SER 203 Ca -0.13 -1.02 -0.37 0.00 0.70 0.00 0.00 55.95 55.13 2qr0 s SER 203 Cb 0.02 -1.87 -0.20 0.00 -1.71 0.00 0.00 66.02 62.26 2qr0 s SER 203 CO 0.87 -0.29 2.40 -2.65 1.20 0.00 0.00 173.24 174.77 2qr0 n PRO 204 N 4.83 0.08 -2.65 5.44 -0.02 -1.26 -4.84 135.00 136.58 2qr0 n PRO 204 Ca -0.13 0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 60.97 2qr0 n PRO 204 Cb 0.46 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 2qr0 n PRO 204 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qr0 s VAL 205 N 7.56 3.87 -0.03 -1.45 0.11 -1.03 -4.82 120.40 124.62 2qr0 s VAL 205 Ca 1.26 1.80 0.06 0.00 -2.93 0.00 0.00 61.98 62.17 2qr0 s VAL 205 Cb -1.33 -4.11 -0.01 0.00 -1.53 0.00 0.00 36.38 29.40 2qr0 s VAL 205 CO 0.57 0.37 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.61 2qr0 s THR 206 N -1.27 1.61 -0.02 5.04 2.01 -1.26 -0.79 115.64 120.95 2qr0 s THR 206 Ca 0.45 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.64 2qr0 s THR 206 Cb -0.27 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 2qr0 s THR 206 CO 0.33 0.46 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.83 2qr0 s LYS 207 N -0.26 1.25 0.18 4.92 2.47 -0.98 -5.03 119.74 122.29 2qr0 s LYS 207 Ca 0.02 -0.49 -0.15 0.00 -1.56 0.00 0.00 55.97 53.79 2qr0 s LYS 207 Cb -0.10 -1.16 0.02 0.00 -1.46 0.00 0.00 37.83 35.13 2qr0 s LYS 207 CO 0.01 0.25 0.46 -1.54 0.16 0.00 0.00 175.35 174.69 2qr0 s SER 208 N -0.14 -0.18 0.12 1.43 1.04 -1.26 -1.78 113.70 112.92 2qr0 s SER 208 Ca 0.02 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 55.76 2qr0 s SER 208 Cb -0.07 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2qr0 s SER 208 CO 0.00 -1.00 0.32 0.72 0.98 0.00 0.00 173.24 174.26 2qr0 s PHE 209 N -3.89 0.01 -0.09 5.02 -0.12 -0.34 -5.01 117.98 113.57 2qr0 s PHE 209 Ca 0.11 -0.38 0.04 0.00 -0.05 0.00 0.00 56.93 56.64 2qr0 s PHE 209 Cb 0.00 0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.51 2qr0 s PHE 209 CO -0.03 -0.66 -0.22 -0.80 -0.05 0.00 0.00 175.22 173.46 2qr0 s ASN 210 N -2.85 2.85 0.00 1.98 0.01 -1.26 -2.04 114.94 113.63 2qr0 s ASN 210 Ca 0.06 -0.51 0.29 0.00 -0.71 0.00 0.00 52.86 51.99 2qr0 s ASN 210 Cb 0.03 -1.26 1.72 0.00 0.41 0.00 0.00 41.25 42.15 2qr0 s ASN 210 CO -0.09 0.14 2.06 -2.11 -1.51 0.00 0.00 177.10 175.59