#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2brr s VAL 3 N 0.00 4.69 -0.20 3.44 1.01 -1.26 -4.73 120.40 123.35 2brr s VAL 3 Ca 0.00 1.94 -0.12 0.00 0.00 0.00 0.00 61.98 63.80 2brr s VAL 3 Cb 0.00 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2brr s VAL 3 CO 0.00 0.12 0.21 -0.76 0.00 0.00 0.00 175.10 174.67 2brr s LEU 4 N 1.23 4.18 -0.21 3.92 1.43 -1.26 -2.26 118.68 125.71 2brr s LEU 4 Ca 0.53 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.89 2brr s LEU 4 Cb -0.22 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.79 2brr s LEU 4 CO 0.26 0.09 -0.07 -0.89 0.23 0.00 0.00 176.35 175.97 2brr s THR 5 N 0.72 3.12 -0.10 5.49 2.01 0.51 -4.05 115.64 123.34 2brr s THR 5 Ca 0.11 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.50 2brr s THR 5 Cb -0.13 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 2brr s THR 5 CO 0.02 0.45 0.02 -1.10 -0.69 0.00 0.00 174.62 173.33 2brr s GLN 6 N 1.42 3.18 0.03 4.92 -0.21 -1.26 -0.89 119.66 126.84 2brr s GLN 6 Ca 0.05 -0.37 -0.05 0.00 0.02 0.00 0.00 55.36 55.02 2brr s GLN 6 Cb -0.14 -2.89 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 2brr s GLN 6 CO -0.05 0.65 0.07 -1.54 -2.12 0.00 0.00 175.29 172.30 2brr s SER 7 N -0.71 0.19 0.84 5.90 1.04 -0.88 -4.30 113.70 115.78 2brr s SER 7 Ca 0.11 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 55.91 2brr s SER 7 Cb -0.12 0.20 0.10 0.00 0.10 0.00 0.00 66.02 66.30 2brr s SER 7 CO 0.02 -0.47 1.09 -2.16 0.98 0.00 0.00 173.24 172.71 2brr s PRO 8 N -2.40 1.72 0.14 4.02 0.04 -1.26 -0.85 135.00 136.41 2brr s PRO 8 Ca -0.07 0.90 -0.13 0.00 0.04 0.00 0.00 61.00 61.74 2brr s PRO 8 Cb -0.02 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2brr s PRO 8 CO -0.04 -1.94 1.60 0.00 0.04 0.00 0.00 177.00 176.66 2brr h ALA 9 N -1.33 0.61 -3.43 8.56 0.00 -1.81 -3.41 119.26 118.44 2brr h ALA 9 Ca -0.47 -0.26 -0.49 0.00 0.00 0.00 0.00 54.91 53.69 2brr h ALA 9 Cb 1.26 -0.17 -0.33 0.00 0.00 0.00 0.00 17.79 18.55 2brr h ALA 9 CO 0.54 0.39 -0.80 0.42 0.00 0.00 0.00 179.25 179.80 2brr s ILE 10 N -5.06 1.00 0.07 0.00 1.01 -1.26 -0.93 121.20 116.02 2brr s ILE 10 Ca -0.13 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.16 2brr s ILE 10 Cb 0.11 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 2brr s ILE 10 CO 0.81 0.32 -0.11 0.00 0.00 0.00 0.00 174.94 175.96 2brr s MET 11 N 0.71 0.72 -0.06 2.79 0.23 -0.09 -4.94 119.30 118.66 2brr s MET 11 Ca -0.14 -0.94 0.05 0.00 -1.03 0.00 0.00 55.69 53.64 2brr s MET 11 Cb -0.15 -0.57 -0.01 0.00 -1.53 0.00 0.00 34.83 32.57 2brr s MET 11 CO 0.03 0.11 -0.22 0.45 -2.03 0.00 0.00 175.02 173.36 2brr s SER 12 N -1.86 2.75 -0.06 -1.18 0.15 -1.26 -0.56 113.70 111.68 2brr s SER 12 Ca -0.03 -0.46 -0.06 0.00 0.70 0.00 0.00 55.95 56.10 2brr s SER 12 Cb -0.08 -0.80 0.02 0.00 -1.71 0.00 0.00 66.02 63.45 2brr s SER 12 CO 0.01 0.21 0.17 0.00 1.20 0.00 0.00 173.24 174.83 2brr s ALA 13 N -0.05 -0.42 0.37 5.45 0.00 -0.48 -4.95 121.76 121.67 2brr s ALA 13 Ca -0.05 0.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.17 2brr s ALA 13 Cb -0.13 -0.28 -0.10 0.00 0.00 0.00 0.00 23.12 22.60 2brr s ALA 13 CO 0.04 -0.08 0.92 0.45 0.00 0.00 0.00 175.76 177.08 2brr s SER 14 N 0.10 7.10 0.47 0.00 0.15 -1.26 -0.37 113.70 119.88 2brr s SER 14 Ca -0.00 1.70 -0.25 0.00 0.70 0.00 0.00 55.95 58.10 2brr s SER 14 Cb -0.01 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 2brr s SER 14 CO 0.00 -0.21 1.41 -2.84 1.20 0.00 0.00 173.24 172.81 2brr s PRO 15 N -2.63 3.59 0.00 5.44 0.02 -1.26 -2.03 135.00 138.13 2brr s PRO 15 Ca 0.55 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.95 2brr s PRO 15 Cb -0.13 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.80 2brr s PRO 15 CO 0.18 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 2brr n GLY 16 N 0.61 2.54 3.80 0.52 0.00 0.64 -4.87 105.19 108.42 2brr n GLY 16 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2brr n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2brr s GLU 17 N -0.49 3.88 -0.00 1.61 2.02 -0.86 -4.40 118.70 120.46 2brr s GLU 17 Ca 0.00 1.35 -0.25 0.00 0.02 0.00 0.00 54.97 56.09 2brr s GLU 17 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 2brr s GLU 17 CO 0.00 -0.36 0.78 0.21 0.02 0.00 0.00 175.26 175.91 2brr s LYS 18 N -3.15 4.49 0.06 1.61 2.20 -1.21 -1.05 119.74 122.70 2brr s LYS 18 Ca 0.66 1.07 0.06 0.00 -0.36 0.00 0.00 55.97 57.39 2brr s LYS 18 Cb -0.16 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 2brr s LYS 18 CO 0.20 0.14 -0.16 0.14 -0.36 0.00 0.00 175.35 175.31 2brr s VAL 19 N 0.45 1.25 -0.05 4.02 -7.23 -0.36 -5.00 120.40 113.49 2brr s VAL 19 Ca 0.41 -1.24 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 2brr s VAL 19 Cb -0.20 -1.16 0.01 0.00 0.56 0.00 0.00 36.38 35.60 2brr s VAL 19 CO 0.22 -0.10 -0.08 -0.89 -0.31 0.00 0.00 175.10 173.95 2brr s THR 20 N -1.09 0.77 0.09 5.32 2.01 -1.26 -0.76 115.64 120.72 2brr s THR 20 Ca 0.01 -0.29 0.10 0.00 0.31 0.00 0.00 61.69 61.82 2brr s THR 20 Cb -0.09 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 2brr s THR 20 CO 0.02 0.27 -0.26 0.00 -0.69 0.00 0.00 174.62 173.96 2brr s MET 21 N 0.66 1.55 0.12 4.92 0.23 -0.45 -4.86 119.30 121.47 2brr s MET 21 Ca -0.11 -1.20 0.06 0.00 -1.03 0.00 0.00 55.69 53.41 2brr s MET 21 Cb -0.14 -1.87 -0.04 0.00 -1.53 0.00 0.00 34.83 31.26 2brr s MET 21 CO 0.01 0.46 -0.02 0.95 -2.03 0.00 0.00 175.02 174.40 2brr s THR 22 N -0.94 3.80 -0.15 3.16 -4.23 -0.03 -1.46 115.64 115.79 2brr s THR 22 Ca 0.12 -1.20 -0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2brr s THR 22 Cb -0.10 -2.84 0.04 0.00 1.34 0.00 0.00 72.50 70.94 2brr s THR 22 CO 0.04 0.03 -0.01 0.00 -0.54 0.00 0.00 174.62 174.14 2brr s ARG 24 N 1.79 2.75 0.17 0.00 0.52 -0.07 -0.96 118.95 123.15 2brr s ARG 24 Ca 0.01 -0.67 0.06 0.00 -0.52 0.00 0.00 55.73 54.61 2brr s ARG 24 Cb -0.15 -2.47 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 2brr s ARG 24 CO -0.07 0.53 0.05 0.00 0.02 0.00 0.00 175.30 175.82 2brr s ALA 25 N -0.48 3.33 -2.00 2.13 0.00 -0.24 -0.36 121.76 124.15 2brr s ALA 25 Ca 0.06 -1.30 0.13 0.00 0.00 0.00 0.00 51.96 50.85 2brr s ALA 25 Cb -0.12 -1.13 0.75 0.00 0.00 0.00 0.00 23.12 22.62 2brr s ALA 25 CO 0.02 0.50 1.35 -1.13 0.00 0.00 0.00 175.76 176.51 2brr n SER 26 N -0.15 0.00 -4.78 0.00 3.41 -0.96 -4.81 113.62 106.33 2brr n SER 26 Ca -0.09 -1.27 -0.39 0.00 -0.26 0.00 0.00 58.87 56.85 2brr n SER 26 Cb 0.55 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 2brr n SER 26 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2brr s SER 27 N -1.56 7.20 -0.08 4.04 0.01 -1.26 -5.03 113.70 117.01 2brr s SER 27 Ca 0.19 1.42 0.05 0.00 1.31 0.00 0.00 55.95 58.92 2brr s SER 27 Cb 0.09 -2.43 -0.00 0.00 0.21 0.00 0.00 66.02 63.88 2brr s SER 27 CO 0.14 0.20 -0.24 -0.69 0.41 0.00 0.00 173.24 173.06 2brr s VAL 28 N -0.88 2.08 0.28 3.43 1.01 0.12 -4.92 120.40 121.51 2brr s VAL 28 Ca 0.33 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2brr s VAL 28 Cb -0.21 -1.77 -0.12 0.00 0.00 0.00 0.00 36.38 34.28 2brr s VAL 28 CO 0.22 0.56 1.55 -0.24 0.00 0.00 0.00 175.10 177.20 2brr n SER 29 N 3.27 3.57 0.16 3.32 2.88 -1.26 -3.68 113.62 121.88 2brr n SER 29 Ca -0.18 1.14 0.19 0.00 -1.33 0.00 0.00 58.87 58.69 2brr n SER 29 Cb 0.53 -1.55 0.74 0.00 -0.75 0.00 0.00 64.21 63.18 2brr n SER 29 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2brr h SER 30 N 4.70 0.00 0.90 -3.46 4.64 -1.93 -0.12 113.55 118.28 2brr h SER 30 Ca -0.46 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 2brr h SER 30 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2brr h SER 30 CO 0.79 0.00 -0.14 0.28 -0.87 0.00 0.00 176.83 176.89 2brr h SER 31 N 0.00 0.00 0.00 4.97 0.02 -1.89 -2.92 113.55 113.73 2brr h SER 31 Ca 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2brr h SER 31 Cb 1.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 2brr h SER 31 CO -0.00 0.14 -0.36 -1.22 -1.14 0.00 0.00 176.83 174.25 2brr n TYR 32 N -3.32 0.00 -4.16 3.45 4.01 -0.06 -3.95 117.16 113.13 2brr n TYR 32 Ca 0.00 -1.12 -0.33 0.00 -0.16 0.00 0.00 57.90 56.29 2brr n TYR 32 Cb 0.37 -0.19 -0.15 0.00 -0.31 0.00 0.00 39.34 39.06 2brr n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2brr s LEU 33 N -2.58 2.36 0.19 7.72 1.98 -1.22 -1.82 118.68 125.31 2brr s LEU 33 Ca 0.33 -0.56 0.06 0.00 -2.89 0.00 0.00 54.13 51.07 2brr s LEU 33 Cb 0.31 -1.55 -0.05 0.00 0.66 0.00 0.00 46.19 45.56 2brr s LEU 33 CO -0.04 0.01 -0.11 -1.00 -1.89 0.00 0.00 176.35 173.33 2brr s HIS 34 N 1.24 1.55 -0.02 5.38 3.76 0.75 -0.27 115.29 127.68 2brr s HIS 34 Ca 0.03 -0.68 0.04 0.00 -0.15 0.00 0.00 55.06 54.29 2brr s HIS 34 Cb -0.14 -0.78 -0.01 0.00 1.11 0.00 0.00 32.58 32.77 2brr s HIS 34 CO -0.08 0.21 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.31 2brr s TRP 35 N -3.15 1.23 0.10 1.40 0.52 0.15 -0.38 118.94 118.81 2brr s TRP 35 Ca 0.22 -0.26 0.10 0.00 0.02 0.00 0.00 56.10 56.17 2brr s TRP 35 Cb 0.01 -0.81 -0.04 0.00 -1.15 0.00 0.00 33.47 31.49 2brr s TRP 35 CO 0.05 -0.05 -0.24 0.71 0.02 0.00 0.00 176.95 177.44 2brr s TYR 36 N -0.21 2.10 -0.10 -1.98 1.51 0.81 -0.07 117.35 119.42 2brr s TYR 36 Ca 0.03 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2brr s TYR 36 Cb -0.06 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 2brr s TYR 36 CO -0.00 0.25 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.50 2brr s GLN 37 N -1.84 3.11 -0.04 -0.62 0.74 0.23 -1.11 119.66 120.13 2brr s GLN 37 Ca 0.11 -0.52 -0.00 0.00 0.05 0.00 0.00 55.36 55.00 2brr s GLN 37 Cb -0.10 -2.73 0.03 0.00 1.10 0.00 0.00 33.01 31.30 2brr s GLN 37 CO 0.05 0.53 0.00 -1.14 -0.55 0.00 0.00 175.29 174.18 2brr s GLN 38 N -0.42 0.34 -0.09 1.67 0.74 0.97 0.01 119.66 122.89 2brr s GLN 38 Ca 0.07 0.10 -0.05 0.00 0.05 0.00 0.00 55.36 55.53 2brr s GLN 38 Cb -0.12 -0.59 -0.04 0.00 1.10 0.00 0.00 33.01 33.36 2brr s GLN 38 CO 0.02 -0.18 0.11 0.15 -0.55 0.00 0.00 175.29 174.84 2brr s LYS 39 N 1.30 3.30 0.00 1.67 1.02 -1.26 -1.10 119.74 124.66 2brr s LYS 39 Ca -0.06 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.68 2brr s LYS 39 Cb -0.13 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2brr s LYS 39 CO -0.02 0.74 0.00 -1.13 -0.92 0.00 0.00 175.35 174.01 2brr n SER 40 N 1.81 0.00 0.00 2.83 3.41 -1.26 -1.80 113.62 118.61 2brr n SER 40 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2brr n SER 40 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 2brr n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2brr n GLY 41 N 0.00 0.75 3.12 5.00 0.00 -1.26 -4.97 105.19 107.82 2brr n GLY 41 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2brr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2brr n ALA 42 N 0.00 -3.46 -1.76 4.61 0.00 -0.74 -4.87 120.51 114.28 2brr n ALA 42 Ca 0.00 -1.22 -0.40 0.00 0.00 0.00 0.00 53.44 51.83 2brr n ALA 42 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 2brr n ALA 42 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2brr s SER 43 N -1.61 7.09 0.72 0.00 0.01 -1.26 -4.68 113.70 113.96 2brr s SER 43 Ca 0.44 2.30 -0.16 0.00 1.31 0.00 0.00 55.95 59.84 2brr s SER 43 Cb -0.04 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.59 2brr s SER 43 CO 0.56 -0.27 1.20 -2.65 0.41 0.00 0.00 173.24 172.49 2brr n PRO 44 N 0.91 0.68 -5.17 12.44 -0.02 -1.26 -4.72 135.00 137.85 2brr n PRO 44 Ca 0.00 0.30 -0.30 0.00 -2.02 0.00 0.00 63.50 61.48 2brr n PRO 44 Cb 0.45 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 2brr n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2brr s LYS 45 N -3.61 2.40 0.19 -0.52 1.02 0.10 -4.95 119.74 114.38 2brr s LYS 45 Ca 0.78 -0.84 -0.32 0.00 0.02 0.00 0.00 55.97 55.61 2brr s LYS 45 Cb -0.34 -2.04 -0.11 0.00 -0.52 0.00 0.00 37.83 34.82 2brr s LYS 45 CO 0.46 0.35 1.70 -1.17 -0.92 0.00 0.00 175.35 175.77 2brr s LEU 46 N -0.11 4.37 0.04 3.17 2.96 -1.26 -0.60 118.68 127.25 2brr s LEU 46 Ca -0.04 2.81 -0.02 0.00 -0.22 0.00 0.00 54.13 56.66 2brr s LEU 46 Cb -0.13 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2brr s LEU 46 CO 0.04 -0.95 -0.03 1.87 -1.32 0.00 0.00 176.35 175.95 2brr n TRP 47 N 4.15 0.00 -4.69 5.38 -0.00 0.90 -4.68 117.44 118.51 2brr n TRP 47 Ca 0.16 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.41 2brr n TRP 47 Cb 0.36 -0.07 -0.16 0.00 -0.00 0.00 0.00 31.31 31.45 2brr n TRP 47 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 2brr s ILE 48 N -2.07 1.24 0.12 5.87 1.01 -0.82 -0.83 121.20 125.72 2brr s ILE 48 Ca -0.03 -0.59 0.09 0.00 0.00 0.00 0.00 60.65 60.12 2brr s ILE 48 Cb 0.01 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2brr s ILE 48 CO 0.04 0.37 -0.23 -0.72 0.00 0.00 0.00 174.94 174.40 2brr s TYR 49 N 0.21 2.01 -1.30 3.97 -0.85 0.85 0.30 117.35 122.54 2brr s TYR 49 Ca -0.06 -0.40 -0.15 0.00 -0.52 0.00 0.00 57.07 55.93 2brr s TYR 49 Cb -0.12 -1.08 0.01 0.00 0.38 0.00 0.00 41.96 41.15 2brr s TYR 49 CO 0.02 0.28 0.54 0.43 -1.52 0.00 0.00 175.55 175.31 2brr n SER 50 N 0.92 -2.63 0.00 -0.18 7.64 -1.03 -1.51 113.62 116.83 2brr n SER 50 Ca -0.18 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.58 2brr n SER 50 Cb 0.54 -2.63 0.00 0.00 -1.01 0.00 0.00 64.21 61.11 2brr n SER 50 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2brr n THR 51 N -4.52 0.00 -0.45 0.44 -1.04 0.62 -4.04 114.28 105.29 2brr n THR 51 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2brr n THR 51 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 2brr n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2brr n SER 52 N 2.36 0.26 -4.63 8.00 3.41 -1.22 -3.50 113.62 118.30 2brr n SER 52 Ca 0.00 -0.76 -0.39 0.00 -0.26 0.00 0.00 58.87 57.46 2brr n SER 52 Cb 0.00 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 2brr n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2brr s ASN 53 N -0.11 6.34 0.02 4.04 0.01 -0.57 -4.52 114.94 120.15 2brr s ASN 53 Ca 0.00 0.40 -0.30 0.00 -0.71 0.00 0.00 52.86 52.25 2brr s ASN 53 Cb 0.00 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 2brr s ASN 53 CO 0.00 -0.17 1.03 -0.76 -1.51 0.00 0.00 177.10 175.69 2brr s LEU 54 N 1.88 4.37 0.86 0.60 1.43 -1.26 -0.10 118.68 126.45 2brr s LEU 54 Ca 0.17 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 2brr s LEU 54 Cb -0.15 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.61 2brr s LEU 54 CO 0.09 -0.31 1.15 0.00 0.23 0.00 0.00 176.35 177.51 2brr s ALA 55 N 1.01 1.72 0.35 4.21 0.00 -0.01 -4.90 121.76 124.14 2brr s ALA 55 Ca 0.54 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.79 2brr s ALA 55 Cb -0.23 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.35 2brr s ALA 55 CO 0.28 -2.44 1.40 0.43 0.00 0.00 0.00 175.76 175.44 2brr n SER 56 N -3.87 3.27 0.00 0.00 7.64 -1.26 -1.81 113.62 117.58 2brr n SER 56 Ca 0.12 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.20 2brr n SER 56 Cb 0.52 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 2brr n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2brr n GLY 57 N 0.83 1.47 3.71 0.23 0.00 -1.26 -5.02 105.19 105.15 2brr n GLY 57 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2brr n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2brr s VAL 58 N -3.10 4.66 0.51 1.61 1.01 -0.75 -5.01 120.40 119.33 2brr s VAL 58 Ca 0.00 1.93 -0.22 0.00 0.00 0.00 0.00 61.98 63.69 2brr s VAL 58 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2brr s VAL 58 CO 0.00 0.16 1.25 -2.84 0.00 0.00 0.00 175.10 173.67 2brr s PRO 59 N 0.94 3.39 0.04 2.72 0.02 -1.26 -4.90 135.00 135.95 2brr s PRO 59 Ca 0.53 1.97 0.10 0.00 0.02 0.00 0.00 61.00 63.62 2brr s PRO 59 Cb -0.23 -2.27 0.43 0.00 0.02 0.00 0.00 34.50 32.45 2brr s PRO 59 CO 0.28 -0.91 1.31 0.00 -0.33 0.00 0.00 177.00 177.35 2brr n ALA 60 N -0.88 1.34 0.31 -1.55 0.00 -1.26 -1.63 120.51 116.85 2brr n ALA 60 Ca 0.09 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.73 2brr n ALA 60 Cb 0.47 -1.16 0.93 0.00 0.00 0.00 0.00 19.45 19.69 2brr n ALA 60 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2brr h ARG 61 N 0.00 0.00 -6.53 0.00 0.11 -1.95 -3.43 114.38 102.58 2brr h ARG 61 Ca 0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 2brr h ARG 61 Cb 0.14 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.19 2brr h ARG 61 CO 0.00 0.00 0.09 -0.06 0.10 0.00 0.00 179.97 180.10 2brr s PHE 62 N -3.88 3.66 0.14 4.08 0.40 -0.64 -0.82 117.98 120.93 2brr s PHE 62 Ca -0.02 1.36 -0.09 0.00 -0.60 0.00 0.00 56.93 57.59 2brr s PHE 62 Cb 0.11 -2.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.04 2brr s PHE 62 CO 0.48 0.36 0.26 -1.54 0.70 0.00 0.00 175.22 175.48 2brr s SER 63 N -1.62 0.06 0.09 1.36 1.04 0.39 -4.99 113.70 110.03 2brr s SER 63 Ca 0.42 -0.81 0.03 0.00 0.48 0.00 0.00 55.95 56.07 2brr s SER 63 Cb -0.17 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2brr s SER 63 CO 0.21 -0.85 -0.09 -0.83 0.98 0.00 0.00 173.24 172.66 2brr s GLY 64 N -2.94 0.80 0.26 7.32 0.00 -1.25 -0.35 107.32 111.16 2brr s GLY 64 Ca 0.14 -1.17 -0.15 0.00 0.00 0.00 0.00 44.72 43.54 2brr s GLY 64 CO -0.03 -1.24 0.56 -1.35 0.00 0.00 0.00 173.10 171.03 2brr s SER 65 N -2.44 -0.12 0.00 1.64 1.04 -0.43 -4.25 113.70 109.13 2brr s SER 65 Ca 0.05 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2brr s SER 65 Cb -0.02 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2brr s SER 65 CO -0.01 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.61 2brr n GLY 66 N -0.41 1.23 3.62 7.32 0.00 -1.26 -0.27 105.19 115.42 2brr n GLY 66 Ca -0.02 -2.09 -0.03 0.00 0.00 0.00 0.00 46.02 43.87 2brr n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2brr s SER 67 N 0.00 -0.17 1.15 1.61 1.04 -0.50 -4.91 113.70 111.91 2brr s SER 67 Ca 0.00 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2brr s SER 67 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2brr s SER 67 CO 0.00 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2brr n GLY 68 N -0.33 0.77 0.00 7.32 0.00 -1.24 -1.57 105.19 110.15 2brr n GLY 68 Ca -0.06 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.44 2brr n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2brr n THR 69 N 0.00 0.68 -3.77 2.61 -2.24 -1.26 0.12 114.28 110.43 2brr n THR 69 Ca 0.00 -0.79 -0.27 0.00 -2.27 0.00 0.00 64.05 60.73 2brr n THR 69 Cb 0.00 0.68 -0.17 0.00 -2.10 0.00 0.00 70.33 68.75 2brr n THR 69 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2brr s SER 70 N -0.68 2.69 0.18 3.42 0.15 -0.61 -1.08 113.70 117.77 2brr s SER 70 Ca 0.00 -0.68 0.04 0.00 0.70 0.00 0.00 55.95 56.01 2brr s SER 70 Cb 0.00 -0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 63.63 2brr s SER 70 CO 0.00 -0.27 -0.06 -0.31 1.20 0.00 0.00 173.24 173.80 2brr s TYR 71 N 1.83 1.38 0.14 3.44 1.51 -0.13 -1.41 117.35 124.10 2brr s TYR 71 Ca 0.00 -0.82 -0.18 0.00 -1.01 0.00 0.00 57.07 55.06 2brr s TYR 71 Cb -0.16 -0.74 0.04 0.00 -0.11 0.00 0.00 41.96 40.99 2brr s TYR 71 CO -0.07 0.03 0.45 -1.54 -1.11 0.00 0.00 175.55 173.31 2brr s SER 72 N -3.22 -0.32 -0.06 2.29 1.04 0.63 -0.61 113.70 113.44 2brr s SER 72 Ca 0.21 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.44 2brr s SER 72 Cb 0.04 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 2brr s SER 72 CO 0.04 -0.89 -0.19 -0.22 0.98 0.00 0.00 173.24 172.96 2brr s LEU 73 N -2.79 1.93 -0.01 2.42 0.20 -0.54 -1.31 118.68 118.58 2brr s LEU 73 Ca 0.03 -0.42 0.07 0.00 0.69 0.00 0.00 54.13 54.49 2brr s LEU 73 Cb 0.01 -1.11 -0.02 0.00 -0.43 0.00 0.00 46.19 44.64 2brr s LEU 73 CO -0.12 0.15 -0.21 -0.89 -0.29 0.00 0.00 176.35 174.99 2brr s THR 74 N 0.19 1.64 -0.22 3.68 2.01 0.53 -1.34 115.64 122.12 2brr s THR 74 Ca -0.09 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 60.97 2brr s THR 74 Cb -0.14 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.03 2brr s THR 74 CO 0.04 0.42 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.63 2brr s ILE 75 N -0.54 2.42 0.28 1.82 1.01 0.06 -0.47 121.20 125.78 2brr s ILE 75 Ca 0.08 -1.12 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 2brr s ILE 75 Cb -0.08 -2.20 0.17 0.00 0.01 0.00 0.00 42.46 40.36 2brr s ILE 75 CO -0.00 0.28 1.84 0.77 0.00 0.00 0.00 174.94 177.82 2brr h SER 76 N 7.93 0.83 -1.75 3.58 4.64 -1.26 -0.95 113.55 126.57 2brr h SER 76 Ca -0.35 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 60.70 2brr h SER 76 Cb 1.10 -0.22 -0.29 0.00 -0.31 0.00 0.00 62.40 62.69 2brr h SER 76 CO 0.57 0.77 -0.48 -0.94 -0.87 0.00 0.00 176.83 175.88 2brr s SER 77 N -6.52 0.16 0.39 4.97 1.04 -1.25 -3.33 113.70 109.16 2brr s SER 77 Ca -0.10 0.05 -0.28 0.00 0.48 0.00 0.00 55.95 56.10 2brr s SER 77 Cb 0.16 1.20 -0.10 0.00 0.10 0.00 0.00 66.02 67.37 2brr s SER 77 CO 0.80 -0.32 1.47 -0.69 0.98 0.00 0.00 173.24 175.49 2brr s VAL 78 N 2.57 2.07 0.25 5.02 1.01 -0.21 -4.55 120.40 126.57 2brr s VAL 78 Ca 0.12 0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.29 2brr s VAL 78 Cb -0.14 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 2brr s VAL 78 CO -0.22 0.02 -0.16 -1.61 0.00 0.00 0.00 175.10 173.13 2brr s GLU 79 N -2.15 1.81 0.30 2.72 2.02 -1.26 -0.26 118.70 121.88 2brr s GLU 79 Ca 0.54 -1.60 0.06 0.00 0.02 0.00 0.00 54.97 53.99 2brr s GLU 79 Cb -0.46 -1.90 0.81 0.00 0.10 0.00 0.00 34.13 32.68 2brr s GLU 79 CO 0.62 0.36 1.67 0.00 0.02 0.00 0.00 175.26 177.92 2brr h ALA 80 N 2.43 1.50 0.00 5.21 0.00 -1.90 -1.02 119.26 125.49 2brr h ALA 80 Ca -0.43 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2brr h ALA 80 Cb 1.24 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2brr h ALA 80 CO 0.57 -0.45 0.00 -0.85 0.00 0.00 0.00 179.25 178.52 2brr n GLU 81 N -5.12 0.07 0.00 0.00 0.28 -1.13 -2.47 120.64 112.26 2brr n GLU 81 Ca 0.24 0.37 0.15 0.00 -0.16 0.00 0.00 57.16 57.76 2brr n GLU 81 Cb 0.75 -1.64 0.78 0.00 1.43 0.00 0.00 31.44 32.76 2brr n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2brr n ASP 82 N -1.77 0.00 -4.59 -1.84 8.00 -0.39 -4.77 116.55 111.19 2brr n ASP 82 Ca 0.02 -0.35 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 2brr n ASP 82 Cb 0.15 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 2brr n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2brr s ALA 83 N -2.42 2.54 0.18 2.24 0.00 -1.03 -4.81 121.76 118.46 2brr s ALA 83 Ca 0.33 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 52.65 2brr s ALA 83 Cb 0.20 -4.12 0.07 0.00 0.00 0.00 0.00 23.12 19.27 2brr s ALA 83 CO 0.42 -3.09 1.02 0.00 0.00 0.00 0.00 175.76 174.11 2brr s ALA 84 N 8.90 -1.59 -0.14 0.00 0.00 -1.12 -4.87 121.76 122.95 2brr s ALA 84 Ca 0.98 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 2brr s ALA 84 Cb -0.29 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 2brr s ALA 84 CO 0.33 -1.06 0.01 0.99 0.00 0.00 0.00 175.76 176.03 2brr s THR 85 N -2.43 4.32 -0.17 0.00 2.01 -0.26 -0.31 115.64 118.80 2brr s THR 85 Ca 0.19 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.96 2brr s THR 85 Cb -0.02 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 2brr s THR 85 CO 0.05 0.52 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.07 2brr s TYR 86 N -0.08 2.85 -0.10 4.92 1.51 -0.42 -0.02 117.35 126.00 2brr s TYR 86 Ca 0.04 -0.92 0.01 0.00 -1.01 0.00 0.00 57.07 55.19 2brr s TYR 86 Cb -0.13 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 2brr s TYR 86 CO 0.02 -0.43 -0.15 0.71 -1.11 0.00 0.00 175.55 174.59 2brr s TYR 87 N 0.88 2.74 0.40 2.71 2.02 -0.26 -0.95 117.35 124.89 2brr s TYR 87 Ca -0.03 -0.58 -0.07 0.00 -0.37 0.00 0.00 57.07 56.02 2brr s TYR 87 Cb -0.15 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 2brr s TYR 87 CO -0.00 -0.15 0.71 0.00 -1.57 0.00 0.00 175.55 174.54 2brr s GLN 89 N -4.15 0.39 0.13 0.00 -0.44 0.49 -0.83 119.66 115.25 2brr s GLN 89 Ca 0.47 0.19 0.05 0.00 -2.50 0.00 0.00 55.36 53.57 2brr s GLN 89 Cb -0.10 0.18 -0.04 0.00 -1.64 0.00 0.00 33.01 31.41 2brr s GLN 89 CO 0.36 -0.07 -0.11 1.14 0.50 0.00 0.00 175.29 177.11 2brr s GLN 90 N -0.28 0.99 -0.04 1.67 1.03 -0.64 -0.18 119.66 122.22 2brr s GLN 90 Ca -0.04 -1.30 0.03 0.00 0.04 0.00 0.00 55.36 54.08 2brr s GLN 90 Cb -0.03 -0.68 0.01 0.00 0.03 0.00 0.00 33.01 32.33 2brr s GLN 90 CO 0.01 0.11 -0.10 -0.47 -2.54 0.00 0.00 175.29 172.29 2brr s TYR 91 N -2.71 1.16 -0.35 9.60 5.04 -0.76 -2.87 117.35 126.46 2brr s TYR 91 Ca 0.11 -0.34 0.14 0.00 -2.44 0.00 0.00 57.07 54.54 2brr s TYR 91 Cb -0.01 -0.84 0.43 0.00 0.35 0.00 0.00 41.96 41.89 2brr s TYR 91 CO 0.01 -0.16 1.17 -1.13 -1.34 0.00 0.00 175.55 174.10 2brr n SER 92 N 3.49 -0.11 0.00 4.32 3.41 -1.26 -4.64 113.62 118.83 2brr n SER 92 Ca -0.20 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 2brr n SER 92 Cb 0.53 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 2brr n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2brr n GLY 93 N -0.42 -0.76 3.88 5.00 0.00 -1.26 -5.03 105.19 106.59 2brr n GLY 93 Ca 0.02 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 2brr n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2brr s TYR 94 N -2.66 3.56 0.68 1.61 2.02 -1.26 -4.54 117.35 116.76 2brr s TYR 94 Ca 0.00 1.15 -0.11 0.00 -0.37 0.00 0.00 57.07 57.74 2brr s TYR 94 Cb 0.00 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 2brr s TYR 94 CO 0.00 -0.44 1.07 -1.25 -1.57 0.00 0.00 175.55 173.36 2brr s PRO 95 N -4.69 3.00 0.43 -1.71 0.04 -1.26 -4.98 135.00 125.83 2brr s PRO 95 Ca 0.53 0.49 -0.26 0.00 0.04 0.00 0.00 61.00 61.80 2brr s PRO 95 Cb -0.11 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 2brr s PRO 95 CO 0.45 -0.93 1.41 0.71 0.04 0.00 0.00 177.00 178.67 2brr s TYR 96 N -3.31 2.56 0.13 0.56 2.02 -1.26 -4.71 117.35 113.35 2brr s TYR 96 Ca 0.57 1.28 0.07 0.00 -0.37 0.00 0.00 57.07 58.63 2brr s TYR 96 Cb -0.11 -3.88 -0.04 0.00 -0.40 0.00 0.00 41.96 37.53 2brr s TYR 96 CO 0.52 -2.76 -0.17 0.95 -1.57 0.00 0.00 175.55 172.52 2brr s THR 97 N -1.20 1.59 0.09 -0.71 -4.23 -1.14 -5.01 115.64 105.04 2brr s THR 97 Ca 0.59 -1.71 0.07 0.00 -1.18 0.00 0.00 61.69 59.46 2brr s THR 97 Cb -0.43 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 2brr s THR 97 CO 0.56 -0.27 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.90 2brr s PHE 98 N -1.78 2.72 1.01 3.99 0.08 -1.26 -1.61 117.98 121.13 2brr s PHE 98 Ca 0.10 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 2brr s PHE 98 Cb -0.07 -1.44 0.19 0.00 -0.57 0.00 0.00 43.02 41.14 2brr s PHE 98 CO 0.05 0.41 1.09 0.20 -0.10 0.00 0.00 175.22 176.86 2brr s GLY 99 N -2.11 1.57 0.00 4.36 0.00 -0.01 -4.51 107.32 106.62 2brr s GLY 99 Ca 0.20 -0.30 0.22 0.00 0.00 0.00 0.00 44.72 44.84 2brr s GLY 99 CO 0.12 0.31 1.69 0.61 0.00 0.00 0.00 173.10 175.84 2brr n GLY 100 N -0.87 -0.87 0.00 0.20 0.00 -1.26 -4.71 105.19 97.68 2brr n GLY 100 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2brr n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2brr n GLY 101 N 0.47 1.11 3.15 -0.02 0.00 -1.26 -5.00 105.19 103.63 2brr n GLY 101 Ca 0.13 -1.62 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 2brr n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2brr s THR 102 N -2.25 2.19 -0.27 2.61 2.01 -0.12 -4.60 115.64 115.21 2brr s THR 102 Ca 0.00 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 60.91 2brr s THR 102 Cb 0.00 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 2brr s THR 102 CO 0.00 0.53 0.56 -0.75 -0.69 0.00 0.00 174.62 174.27 2brr s LYS 103 N 1.20 4.03 -0.32 4.92 2.20 -0.11 -1.31 119.74 130.36 2brr s LYS 103 Ca 0.02 0.35 -0.13 0.00 -0.36 0.00 0.00 55.97 55.86 2brr s LYS 103 Cb -0.14 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 2brr s LYS 103 CO -0.10 -0.42 0.25 -1.17 -0.36 0.00 0.00 175.35 173.55 2brr s LEU 104 N 2.41 4.33 0.04 5.43 2.96 0.58 -0.92 118.68 133.51 2brr s LEU 104 Ca 0.23 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2brr s LEU 104 Cb -0.15 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2brr s LEU 104 CO 0.10 -0.19 0.07 -1.61 -1.32 0.00 0.00 176.35 173.40 2brr s GLU 105 N 1.79 2.96 -0.14 1.98 2.02 0.28 -2.78 118.70 124.81 2brr s GLU 105 Ca 0.08 -0.59 -0.06 0.00 0.02 0.00 0.00 54.97 54.41 2brr s GLU 105 Cb -0.17 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 2brr s GLU 105 CO 0.11 0.61 0.07 0.42 0.02 0.00 0.00 175.26 176.48 2brr s ILE 106 N -1.28 4.86 0.03 -1.63 -1.09 -1.26 -1.39 121.20 119.44 2brr s ILE 106 Ca 0.26 -0.02 -0.15 0.00 -2.23 0.00 0.00 60.65 58.51 2brr s ILE 106 Cb -0.12 -3.14 -0.06 0.00 -1.58 0.00 0.00 42.46 37.56 2brr s ILE 106 CO 0.18 0.53 0.44 -0.54 -1.23 0.00 0.00 174.94 174.32 2brr s LYS 107 N -0.27 3.94 0.31 2.79 1.02 0.50 -4.87 119.74 123.16 2brr s LYS 107 Ca 0.08 0.44 -0.02 0.00 0.02 0.00 0.00 55.97 56.49 2brr s LYS 107 Cb -0.12 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.01 2brr s LYS 107 CO 0.01 0.65 0.41 -0.98 -0.92 0.00 0.00 175.35 174.52 2brr s ARG 108 N -1.25 1.77 0.62 1.68 1.70 -1.26 -4.05 118.95 118.16 2brr s ARG 108 Ca 0.27 -1.73 -0.18 0.00 -0.47 0.00 0.00 55.73 53.62 2brr s ARG 108 Cb -0.17 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.60 2brr s ARG 108 CO 0.15 -0.71 1.18 0.00 -1.08 0.00 0.00 175.30 174.85 2brr s ALA 109 N -3.34 2.47 0.42 7.88 0.00 -1.26 -4.95 121.76 122.98 2brr s ALA 109 Ca 0.32 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 52.91 2brr s ALA 109 Cb 0.01 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 2brr s ALA 109 CO 0.19 -1.26 1.42 -0.51 0.00 0.00 0.00 175.76 175.60 2brr s ASP 110 N -1.85 6.11 -0.04 0.00 1.11 -1.26 -4.77 116.67 115.97 2brr s ASP 110 Ca 0.75 2.90 0.00 0.00 0.18 0.00 0.00 52.55 56.37 2brr s ASP 110 Cb -0.28 -2.65 0.03 0.00 1.07 0.00 0.00 42.92 41.08 2brr s ASP 110 CO 0.36 -1.01 -0.01 0.00 1.18 0.00 0.00 175.17 175.69 2brr s ALA 111 N -1.19 0.45 0.37 5.23 0.00 -0.54 -4.91 121.76 121.18 2brr s ALA 111 Ca 0.58 0.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.34 2brr s ALA 111 Cb -0.43 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.17 2brr s ALA 111 CO 0.57 -0.15 1.22 0.00 0.00 0.00 0.00 175.76 177.41 2brr s ALA 112 N 1.21 3.29 0.50 0.00 0.00 -1.26 -1.47 121.76 124.03 2brr s ALA 112 Ca -0.07 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 2brr s ALA 112 Cb -0.13 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 2brr s ALA 112 CO -0.02 -0.58 1.11 -1.25 0.00 0.00 0.00 175.76 175.02 2brr s PRO 113 N -2.06 3.62 -0.37 0.00 0.04 -1.26 -4.51 135.00 130.47 2brr s PRO 113 Ca 0.54 1.59 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 2brr s PRO 113 Cb -0.35 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.04 2brr s PRO 113 CO 0.45 -0.62 1.03 0.99 0.04 0.00 0.00 177.00 178.89 2brr s THR 114 N -1.75 4.48 -0.20 1.26 2.01 0.08 -4.80 115.64 116.71 2brr s THR 114 Ca 0.68 1.46 -0.09 0.00 0.31 0.00 0.00 61.69 64.05 2brr s THR 114 Cb -0.23 -4.42 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 2brr s THR 114 CO 0.27 -0.60 0.10 -0.69 -0.69 0.00 0.00 174.62 173.02 2brr s VAL 115 N 3.74 5.06 -0.03 3.82 1.01 -1.26 -1.10 120.40 131.64 2brr s VAL 115 Ca 0.43 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2brr s VAL 115 Cb -0.11 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2brr s VAL 115 CO 0.19 0.43 -0.12 -0.44 0.00 0.00 0.00 175.10 175.17 2brr s SER 116 N 0.50 1.59 0.02 3.32 0.01 -0.28 -4.94 113.70 113.93 2brr s SER 116 Ca 0.05 -0.25 0.06 0.00 1.31 0.00 0.00 55.95 57.13 2brr s SER 116 Cb -0.12 -0.42 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 2brr s SER 116 CO 0.00 0.10 -0.17 -0.51 0.41 0.00 0.00 173.24 173.07 2brr s ILE 117 N 0.12 2.83 -0.05 1.44 2.07 -1.26 -1.22 121.20 125.13 2brr s ILE 117 Ca -0.03 -1.10 0.02 0.00 -1.41 0.00 0.00 60.65 58.13 2brr s ILE 117 Cb -0.10 -2.18 0.01 0.00 0.13 0.00 0.00 42.46 40.33 2brr s ILE 117 CO 0.01 0.38 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.97 2brr s PHE 118 N -0.89 1.13 0.74 3.50 0.08 0.38 -5.01 117.98 117.92 2brr s PHE 118 Ca 0.14 -0.36 -0.11 0.00 0.12 0.00 0.00 56.93 56.72 2brr s PHE 118 Cb -0.11 -0.85 0.04 0.00 -0.57 0.00 0.00 43.02 41.53 2brr s PHE 118 CO 0.04 -0.20 1.09 -1.25 -0.10 0.00 0.00 175.22 174.80 2brr s PRO 119 N 0.57 2.46 0.29 0.24 0.04 -1.26 -2.14 135.00 135.20 2brr s PRO 119 Ca -0.10 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 2brr s PRO 119 Cb -0.13 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 2brr s PRO 119 CO 0.02 -1.48 1.16 -2.30 0.04 0.00 0.00 177.00 174.43 2brr n PRO 120 N -3.32 1.65 -1.57 0.56 -0.02 -1.18 -4.80 135.00 126.31 2brr n PRO 120 Ca 0.09 0.58 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 2brr n PRO 120 Cb 0.53 -2.06 0.06 0.00 -0.02 0.00 0.00 33.50 32.01 2brr n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2brr s SER 121 N -0.32 5.00 0.45 2.55 1.04 -1.26 -4.90 113.70 116.26 2brr s SER 121 Ca 0.60 1.85 0.13 0.00 0.48 0.00 0.00 55.95 59.02 2brr s SER 121 Cb -0.67 -2.53 1.01 0.00 0.10 0.00 0.00 66.02 63.93 2brr s SER 121 CO 0.59 -1.70 2.02 0.77 0.98 0.00 0.00 173.24 175.90 2brr h SER 122 N -0.47 0.10 0.42 7.02 4.64 -2.00 -2.24 113.55 121.03 2brr h SER 122 Ca -0.45 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2brr h SER 122 Cb 1.23 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2brr h SER 122 CO 0.54 0.19 -0.30 -0.33 -0.87 0.00 0.00 176.83 176.07 2brr h GLU 123 N 0.11 -0.68 -0.71 4.77 3.07 -2.00 -2.29 114.58 116.86 2brr h GLU 123 Ca 0.02 0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.95 2brr h GLU 123 Cb 0.21 0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 2brr h GLU 123 CO 0.01 -0.45 0.45 0.37 -1.40 0.00 0.00 179.01 177.99 2brr h GLN 124 N -0.70 0.87 -0.94 2.33 4.15 -1.82 -2.62 115.11 116.38 2brr h GLN 124 Ca -0.04 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.39 2brr h GLN 124 Cb 0.59 -0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 2brr h GLN 124 CO 0.02 0.57 0.61 -0.07 -1.93 0.00 0.00 178.83 178.04 2brr h LEU 125 N 0.90 0.96 -1.99 -2.39 3.38 -1.31 -1.71 115.31 113.15 2brr h LEU 125 Ca 0.28 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.45 2brr h LEU 125 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2brr h LEU 125 CO -0.09 0.62 0.52 0.71 0.09 0.00 0.00 178.44 180.29 2brr h THR 126 N 1.09 0.57 -0.05 0.22 1.35 -1.01 -0.15 112.91 114.93 2brr h THR 126 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 2brr h THR 126 Cb 0.17 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 2brr h THR 126 CO -0.15 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 173.92 2brr n SER 127 N -4.19 1.91 0.00 5.36 7.64 -0.65 -4.94 113.62 118.75 2brr n SER 127 Ca 0.13 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.37 2brr n SER 127 Cb 0.78 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 2brr n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2brr n GLY 128 N 1.22 0.55 3.58 0.23 0.00 -0.07 -5.03 105.19 105.68 2brr n GLY 128 Ca 0.18 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2brr n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2brr s GLY 129 N -2.33 1.99 -0.24 -0.02 0.00 -1.20 -1.50 107.32 104.02 2brr s GLY 129 Ca 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 44.72 42.77 2brr s GLY 129 CO 0.00 -1.91 0.31 0.00 0.00 0.00 0.00 173.10 171.50 2brr s ALA 130 N -2.51 -0.73 -0.25 3.20 0.00 0.10 -3.38 121.76 118.20 2brr s ALA 130 Ca 0.33 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 2brr s ALA 130 Cb -0.02 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.52 2brr s ALA 130 CO 0.18 -1.32 -0.01 -1.12 0.00 0.00 0.00 175.76 173.49 2brr s SER 131 N 2.45 4.57 -0.23 0.00 0.01 -1.26 0.59 113.70 119.83 2brr s SER 131 Ca 0.10 -0.61 -0.13 0.00 1.31 0.00 0.00 55.95 56.62 2brr s SER 131 Cb -0.15 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 2brr s SER 131 CO -0.17 -0.10 0.27 -0.69 0.41 0.00 0.00 173.24 172.96 2brr s VAL 132 N 1.45 5.28 -0.09 3.43 1.01 0.11 -3.11 120.40 128.49 2brr s VAL 132 Ca 0.03 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 2brr s VAL 132 Cb -0.16 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2brr s VAL 132 CO -0.02 0.29 -0.06 -0.69 0.00 0.00 0.00 175.10 174.62 2brr s VAL 133 N 1.27 3.73 -0.10 2.92 1.01 -0.91 -0.79 120.40 127.53 2brr s VAL 133 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2brr s VAL 133 Cb -0.14 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2brr s VAL 133 CO 0.07 0.58 -0.09 0.00 0.00 0.00 0.00 175.10 175.65 2brr s PHE 135 N 1.40 3.54 -0.33 0.00 0.08 -0.36 -0.80 117.98 121.52 2brr s PHE 135 Ca -0.00 0.54 0.03 0.00 0.12 0.00 0.00 56.93 57.62 2brr s PHE 135 Cb -0.13 -2.12 0.10 0.00 -0.57 0.00 0.00 43.02 40.30 2brr s PHE 135 CO -0.05 0.51 0.05 -0.51 -0.10 0.00 0.00 175.22 175.12 2brr s LEU 136 N -0.38 4.16 -0.05 -0.37 1.02 0.12 -1.13 118.68 122.04 2brr s LEU 136 Ca 0.14 -2.00 0.02 0.00 0.02 0.00 0.00 54.13 52.32 2brr s LEU 136 Cb -0.12 -1.47 -0.03 0.00 0.02 0.00 0.00 46.19 44.59 2brr s LEU 136 CO 0.03 -0.37 -0.10 0.20 0.02 0.00 0.00 176.35 176.13 2brr s ASN 137 N 1.06 4.40 -1.17 2.29 0.01 -0.25 0.00 114.94 121.27 2brr s ASN 137 Ca 0.09 -0.10 -0.08 0.00 -0.71 0.00 0.00 52.86 52.06 2brr s ASN 137 Cb -0.19 -1.03 -0.02 0.00 0.41 0.00 0.00 41.25 40.42 2brr s ASN 137 CO -0.11 0.35 0.81 0.59 -1.51 0.00 0.00 177.10 177.23 2brr n ASN 138 N 2.19 -4.07 -4.71 -1.22 3.02 -0.85 -0.74 115.26 108.88 2brr n ASN 138 Ca -0.17 -0.83 -0.24 0.00 -0.03 0.00 0.00 54.58 53.31 2brr n ASN 138 Cb 0.53 -4.27 -0.07 0.00 -0.61 0.00 0.00 39.78 35.36 2brr n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2brr s PHE 139 N -3.51 2.66 -0.20 3.10 -0.12 0.05 -4.59 117.98 115.37 2brr s PHE 139 Ca 0.28 -0.41 -0.17 0.00 -0.05 0.00 0.00 56.93 56.57 2brr s PHE 139 Cb -0.07 -1.63 0.05 0.00 -0.63 0.00 0.00 43.02 40.74 2brr s PHE 139 CO 0.80 0.36 0.52 -0.47 -0.05 0.00 0.00 175.22 176.38 2brr s TYR 140 N -2.46 -0.60 0.91 3.49 5.04 -0.54 -0.53 117.35 122.66 2brr s TYR 140 Ca 0.37 1.43 -0.15 0.00 -2.44 0.00 0.00 57.07 56.28 2brr s TYR 140 Cb -0.01 0.22 0.21 0.00 0.35 0.00 0.00 41.96 42.73 2brr s TYR 140 CO 0.22 -0.29 1.22 -2.30 -1.34 0.00 0.00 175.55 173.05 2brr n PRO 141 N 2.97 -1.27 0.20 4.97 -0.02 -1.26 -1.46 135.00 139.13 2brr n PRO 141 Ca -0.14 -1.89 0.05 0.00 -2.02 0.00 0.00 63.50 59.50 2brr n PRO 141 Cb 0.56 -1.27 0.42 0.00 -0.02 0.00 0.00 33.50 33.19 2brr n PRO 141 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2brr h LYS 142 N 0.00 0.00 -3.72 -0.52 3.64 -1.98 -3.38 116.57 110.61 2brr h LYS 142 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2brr h LYS 142 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2brr h LYS 142 CO 0.28 0.33 0.62 -0.25 -2.27 0.00 0.00 179.45 178.15 2brr n ASP 143 N -3.92 0.00 -4.83 4.20 9.92 -1.26 -4.93 116.55 115.73 2brr n ASP 143 Ca -0.02 -1.43 -0.34 0.00 -0.53 0.00 0.00 54.79 52.47 2brr n ASP 143 Cb 0.39 -0.26 -0.06 0.00 -0.64 0.00 0.00 41.12 40.55 2brr n ASP 143 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2brr s ILE 144 N 3.39 5.08 -0.10 0.53 1.10 -1.26 -3.65 121.20 126.29 2brr s ILE 144 Ca 0.00 -0.21 -0.02 0.00 -0.51 0.00 0.00 60.65 59.91 2brr s ILE 144 Cb 0.00 -3.31 -0.03 0.00 0.15 0.00 0.00 42.46 39.26 2brr s ILE 144 CO 0.00 0.40 -0.00 0.20 -2.11 0.00 0.00 174.94 173.43 2brr s ASN 145 N -1.64 5.20 -0.08 4.50 0.01 -0.08 -5.00 114.94 117.85 2brr s ASN 145 Ca 0.23 0.11 0.02 0.00 -0.71 0.00 0.00 52.86 52.51 2brr s ASN 145 Cb -0.12 -1.52 -0.02 0.00 0.41 0.00 0.00 41.25 40.00 2brr s ASN 145 CO 0.13 0.35 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.24 2brr s VAL 146 N -0.70 3.06 -0.08 1.60 1.01 -1.26 -1.46 120.40 122.57 2brr s VAL 146 Ca 0.11 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2brr s VAL 146 Cb -0.12 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2brr s VAL 146 CO 0.02 0.56 -0.19 -0.75 0.00 0.00 0.00 175.10 174.74 2brr s LYS 147 N -0.26 2.46 -0.12 2.72 2.20 -0.37 -4.96 119.74 121.40 2brr s LYS 147 Ca 0.02 -0.69 -0.04 0.00 -0.36 0.00 0.00 55.97 54.89 2brr s LYS 147 Cb -0.13 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 2brr s LYS 147 CO 0.03 0.14 0.04 -1.58 -0.36 0.00 0.00 175.35 173.61 2brr s TRP 148 N 0.42 3.24 -0.03 4.03 0.52 -1.26 -0.78 118.94 125.07 2brr s TRP 148 Ca -0.16 0.17 0.04 0.00 0.02 0.00 0.00 56.10 56.17 2brr s TRP 148 Cb -0.17 -1.90 -0.01 0.00 -1.15 0.00 0.00 33.47 30.24 2brr s TRP 148 CO 0.06 0.38 -0.16 0.15 0.02 0.00 0.00 176.95 177.41 2brr s LYS 149 N -0.47 1.54 -0.11 4.98 1.02 0.19 -0.87 119.74 126.02 2brr s LYS 149 Ca 0.09 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.53 2brr s LYS 149 Cb -0.12 -1.40 -0.01 0.00 -0.52 0.00 0.00 37.83 35.79 2brr s LYS 149 CO 0.02 0.27 -0.20 0.42 -0.92 0.00 0.00 175.35 174.95 2brr s ILE 150 N -0.10 2.44 -1.22 2.17 1.01 0.75 -0.82 121.20 125.43 2brr s ILE 150 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 2brr s ILE 150 Cb -0.09 -1.97 0.06 0.00 0.01 0.00 0.00 42.46 40.46 2brr s ILE 150 CO 0.01 0.55 0.40 0.47 0.00 0.00 0.00 174.94 176.37 2brr n ASP 151 N 3.51 -3.77 -0.01 3.58 8.00 0.02 -1.02 116.55 126.86 2brr n ASP 151 Ca -0.19 -0.27 -0.00 0.00 0.71 0.00 0.00 54.79 55.05 2brr n ASP 151 Cb 0.53 -3.14 -0.00 0.00 -0.02 0.00 0.00 41.12 38.49 2brr n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2brr n GLY 152 N -1.11 0.43 3.45 0.44 0.00 -1.26 -5.00 105.19 102.14 2brr n GLY 152 Ca -0.04 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2brr n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2brr s SER 153 N -2.05 3.87 0.25 1.61 0.01 -0.19 -5.04 113.70 112.16 2brr s SER 153 Ca 0.00 -0.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.70 2brr s SER 153 Cb 0.00 -0.75 -0.10 0.00 0.21 0.00 0.00 66.02 65.38 2brr s SER 153 CO 0.00 0.33 1.39 -0.70 0.41 0.00 0.00 173.24 174.67 2brr s GLU 154 N -0.79 4.31 -0.14 12.44 2.12 -1.26 -0.18 118.70 135.20 2brr s GLU 154 Ca 0.12 2.23 0.01 0.00 0.36 0.00 0.00 54.97 57.69 2brr s GLU 154 Cb -0.10 -3.12 0.02 0.00 0.26 0.00 0.00 34.13 31.18 2brr s GLU 154 CO 0.01 -0.35 -0.16 0.50 -0.54 0.00 0.00 175.26 174.72 2brr s ARG 155 N -0.51 2.42 -0.14 4.30 6.06 -0.05 -4.86 118.95 126.16 2brr s ARG 155 Ca 0.57 -0.61 0.19 0.00 -2.50 0.00 0.00 55.73 53.38 2brr s ARG 155 Cb -0.40 -2.12 -0.27 0.00 0.06 0.00 0.00 34.95 32.21 2brr s ARG 155 CO 0.43 -0.17 0.21 1.04 -2.50 0.00 0.00 175.30 174.31 2brr n GLN 156 N 4.54 0.72 -3.73 5.12 6.02 -1.26 -4.31 117.38 124.48 2brr n GLN 156 Ca -0.18 -0.07 -0.36 0.00 -0.01 0.00 0.00 57.00 56.38 2brr n GLN 156 Cb 0.50 -1.51 -0.06 0.00 1.02 0.00 0.00 30.24 30.20 2brr n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2brr s ASN 157 N -5.10 6.54 0.00 1.08 0.01 -1.26 -4.37 114.94 111.84 2brr s ASN 157 Ca -0.09 0.63 0.00 0.00 -0.71 0.00 0.00 52.86 52.69 2brr s ASN 157 Cb 0.09 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.62 2brr s ASN 157 CO 0.84 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 177.34 2brr n GLY 158 N 1.44 0.81 3.51 0.66 0.00 -1.26 -4.88 105.19 105.47 2brr n GLY 158 Ca -0.14 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 2brr n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2brr s VAL 159 N -2.00 3.98 -0.05 1.61 1.01 -1.26 -1.07 120.40 122.63 2brr s VAL 159 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.69 2brr s VAL 159 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2brr s VAL 159 CO 0.00 0.49 -0.15 -0.76 0.00 0.00 0.00 175.10 174.69 2brr s LEU 160 N 0.36 1.83 0.02 3.92 1.43 -0.44 -4.97 118.68 120.83 2brr s LEU 160 Ca -0.03 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.84 2brr s LEU 160 Cb -0.14 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 2brr s LEU 160 CO 0.03 0.11 -0.25 0.20 0.23 0.00 0.00 176.35 176.66 2brr s ASN 161 N 0.23 2.99 -0.03 2.29 0.01 -1.26 -0.53 114.94 118.65 2brr s ASN 161 Ca -0.07 -0.53 -0.02 0.00 -0.71 0.00 0.00 52.86 51.53 2brr s ASN 161 Cb -0.12 -0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.26 2brr s ASN 161 CO 0.02 0.26 0.07 -0.55 -1.51 0.00 0.00 177.10 175.39 2brr s SER 162 N -1.01 -0.06 -0.01 -1.22 0.15 -0.01 -4.99 113.70 106.55 2brr s SER 162 Ca 0.10 0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.94 2brr s SER 162 Cb -0.10 0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.31 2brr s SER 162 CO 0.01 -0.04 -0.17 0.26 1.20 0.00 0.00 173.24 174.50 2brr s TRP 163 N 0.17 2.60 0.69 3.44 0.51 -1.26 -0.42 118.94 124.67 2brr s TRP 163 Ca -0.01 -0.23 -0.12 0.00 -2.12 0.00 0.00 56.10 53.62 2brr s TRP 163 Cb -0.02 -1.56 0.01 0.00 -0.81 0.00 0.00 33.47 31.09 2brr s TRP 163 CO -0.00 0.18 1.07 0.95 -0.51 0.00 0.00 176.95 178.63 2brr s THR 164 N -0.78 3.86 0.87 2.01 -4.23 -0.26 -5.01 115.64 112.09 2brr s THR 164 Ca 0.12 0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 61.18 2brr s THR 164 Cb -0.10 -3.31 0.11 0.00 1.34 0.00 0.00 72.50 70.54 2brr s THR 164 CO 0.02 -0.74 1.09 -1.81 -0.54 0.00 0.00 174.62 172.65 2brr s ASP 165 N -3.52 3.65 0.25 3.99 1.01 -1.26 -4.58 116.67 116.21 2brr s ASP 165 Ca 0.60 1.60 -0.31 0.00 0.71 0.00 0.00 52.55 55.15 2brr s ASP 165 Cb -0.15 -2.28 -0.12 0.00 1.01 0.00 0.00 42.92 41.38 2brr s ASP 165 CO 0.52 -2.54 1.63 1.67 0.21 0.00 0.00 175.17 176.66 2brr n GLN 166 N -3.83 2.65 -1.95 8.23 7.27 -1.26 -4.74 117.38 123.74 2brr n GLN 166 Ca 0.08 0.95 -0.42 0.00 0.07 0.00 0.00 57.00 57.67 2brr n GLN 166 Cb 0.54 -2.75 -0.03 0.00 2.41 0.00 0.00 30.24 30.42 2brr n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2brr s ASP 167 N 0.78 6.60 0.53 1.69 -1.08 0.11 -4.92 116.67 120.38 2brr s ASP 167 Ca 0.70 2.61 0.30 0.00 -0.52 0.00 0.00 52.55 55.63 2brr s ASP 167 Cb -0.52 -2.60 1.44 0.00 -1.46 0.00 0.00 42.92 39.78 2brr s ASP 167 CO 0.41 -0.81 2.04 0.77 0.52 0.00 0.00 175.17 178.10 2brr h SER 168 N 6.69 0.00 0.01 -0.34 4.64 -1.90 -0.93 113.55 121.71 2brr h SER 168 Ca -0.43 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.49 2brr h SER 168 Cb 1.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 2brr h SER 168 CO 0.90 0.10 -2.22 0.29 -0.87 0.00 0.00 176.83 175.03 2brr n LYS 169 N -3.41 0.60 0.00 4.77 5.02 -1.26 -2.82 118.16 121.06 2brr n LYS 169 Ca -0.01 0.32 0.02 0.00 -2.02 0.00 0.00 58.31 56.62 2brr n LYS 169 Cb 0.27 -1.56 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 2brr n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2brr n ASP 170 N -4.12 1.17 -0.63 4.39 5.68 -1.25 -4.88 116.55 116.92 2brr n ASP 170 Ca -0.47 -1.08 -0.08 0.00 -0.50 0.00 0.00 54.79 52.65 2brr n ASP 170 Cb 0.87 0.17 -0.04 0.00 -1.14 0.00 0.00 41.12 40.98 2brr n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2brr n SER 171 N 0.02 -4.44 -4.87 -1.12 7.64 -0.35 -4.98 113.62 105.51 2brr n SER 171 Ca 0.02 0.20 -0.23 0.00 1.01 0.00 0.00 58.87 59.88 2brr n SER 171 Cb 0.10 -2.66 0.06 0.00 -1.01 0.00 0.00 64.21 60.70 2brr n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2brr s THR 172 N -2.15 2.44 0.25 0.44 -4.23 -1.26 -4.67 115.64 106.46 2brr s THR 172 Ca 0.00 -0.57 0.11 0.00 -1.18 0.00 0.00 61.69 60.06 2brr s THR 172 Cb 0.00 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 2brr s THR 172 CO 0.00 0.00 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.57 2brr s TYR 173 N -2.97 2.23 0.14 3.99 1.51 0.31 -0.71 117.35 121.86 2brr s TYR 173 Ca 0.60 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.36 2brr s TYR 173 Cb -0.09 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.72 2brr s TYR 173 CO 0.41 0.64 -0.12 -1.12 -1.11 0.00 0.00 175.55 174.25 2brr s SER 174 N -3.32 1.90 -0.01 2.29 0.01 -1.26 -0.77 113.70 112.55 2brr s SER 174 Ca 0.27 -0.92 -0.00 0.00 1.31 0.00 0.00 55.95 56.61 2brr s SER 174 Cb -0.05 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2brr s SER 174 CO 0.13 -0.24 0.02 -0.32 0.41 0.00 0.00 173.24 173.23 2brr s MET 175 N -3.25 0.01 -0.07 12.44 0.00 0.10 -1.11 119.30 127.42 2brr s MET 175 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 55.69 55.87 2brr s MET 175 Cb -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 34.83 34.78 2brr s MET 175 CO 0.02 -0.01 -0.11 0.45 0.00 0.00 0.00 175.02 175.36 2brr s SER 176 N 0.08 4.25 -0.06 1.11 0.15 0.44 0.10 113.70 119.77 2brr s SER 176 Ca -0.01 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.51 2brr s SER 176 Cb -0.01 -1.10 0.01 0.00 -1.71 0.00 0.00 66.02 63.21 2brr s SER 176 CO -0.00 0.32 -0.12 -0.55 1.20 0.00 0.00 173.24 174.08 2brr s SER 177 N -0.54 1.77 -0.11 5.45 0.15 0.02 -0.83 113.70 119.62 2brr s SER 177 Ca 0.08 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.44 2brr s SER 177 Cb -0.12 -0.76 0.02 0.00 -1.71 0.00 0.00 66.02 63.45 2brr s SER 177 CO 0.02 0.05 -0.14 -0.89 1.20 0.00 0.00 173.24 173.48 2brr s THR 178 N 0.56 1.41 -0.34 6.45 2.01 0.32 -0.31 115.64 125.73 2brr s THR 178 Ca -0.13 -0.58 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 2brr s THR 178 Cb -0.15 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 2brr s THR 178 CO 0.03 0.42 0.29 -0.22 -0.69 0.00 0.00 174.62 174.45 2brr s LEU 179 N 1.10 4.53 -0.22 4.42 2.96 0.03 -1.33 118.68 130.17 2brr s LEU 179 Ca -0.05 -0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.40 2brr s LEU 179 Cb -0.14 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 2brr s LEU 179 CO -0.03 -0.28 0.08 -0.89 -1.32 0.00 0.00 176.35 173.91 2brr s THR 180 N 1.82 4.72 0.34 3.68 2.01 -0.23 0.09 115.64 128.08 2brr s THR 180 Ca 0.08 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.09 2brr s THR 180 Cb -0.17 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 69.10 2brr s THR 180 CO 0.11 0.39 0.01 -0.76 -0.69 0.00 0.00 174.62 173.68 2brr s LEU 181 N 0.93 2.49 0.61 4.42 1.43 0.20 -4.76 118.68 124.00 2brr s LEU 181 Ca 0.04 -1.32 -0.15 0.00 -1.03 0.00 0.00 54.13 51.67 2brr s LEU 181 Cb -0.14 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 2brr s LEU 181 CO 0.03 -0.48 1.06 0.42 0.23 0.00 0.00 176.35 177.61 2brr s THR 182 N -3.02 3.82 0.22 5.49 -4.23 -1.26 0.02 115.64 116.69 2brr s THR 182 Ca 0.34 0.82 -0.08 0.00 -1.18 0.00 0.00 61.69 61.60 2brr s THR 182 Cb 0.08 -3.37 0.17 0.00 1.34 0.00 0.00 72.50 70.71 2brr s THR 182 CO 0.16 -0.55 1.75 0.50 -0.54 0.00 0.00 174.62 175.93 2brr h LYS 183 N 0.25 0.45 -0.75 3.99 3.64 -1.44 -1.15 116.57 121.57 2brr h LYS 183 Ca -0.46 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 2brr h LYS 183 Cb 1.22 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 2brr h LYS 183 CO 0.57 0.30 0.37 -0.44 -2.27 0.00 0.00 179.45 177.98 2brr h ASP 184 N 0.46 0.95 -0.29 4.20 3.32 -1.93 -0.57 116.42 122.56 2brr h ASP 184 Ca 0.34 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 2brr h ASP 184 Cb 0.43 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2brr h ASP 184 CO -0.32 0.80 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.90 2brr h GLU 185 N 1.05 0.53 -0.73 3.56 4.81 -1.81 -2.41 114.58 119.59 2brr h GLU 185 Ca 0.26 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2brr h GLU 185 Cb 0.09 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2brr h GLU 185 CO -0.04 0.69 0.45 -0.92 -0.73 0.00 0.00 179.01 178.46 2brr h TYR 186 N 0.31 0.83 -0.01 0.92 3.20 -0.88 -2.02 116.97 119.32 2brr h TYR 186 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2brr h TYR 186 Cb 0.46 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2brr h TYR 186 CO 0.04 0.45 0.00 0.39 -1.64 0.00 0.00 178.16 177.40 2brr n GLU 187 N -4.68 1.14 0.00 1.82 1.02 -0.25 -2.92 120.64 116.76 2brr n GLU 187 Ca 0.09 -0.20 0.13 0.00 -0.02 0.00 0.00 57.16 57.16 2brr n GLU 187 Cb 0.12 -1.44 0.31 0.00 -0.02 0.00 0.00 31.44 30.42 2brr n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2brr n ARG 188 N -0.71 1.03 -4.38 3.49 1.74 -0.76 -4.93 116.66 112.14 2brr n ARG 188 Ca 0.20 -0.67 -0.19 0.00 -0.77 0.00 0.00 57.85 56.42 2brr n ARG 188 Cb 0.15 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 2brr n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2brr s HIS 189 N -2.43 1.73 -0.04 -1.55 3.76 -1.15 -5.10 115.29 110.51 2brr s HIS 189 Ca 0.25 -0.92 -0.01 0.00 -0.15 0.00 0.00 55.06 54.23 2brr s HIS 189 Cb 0.19 -1.04 -0.02 0.00 1.11 0.00 0.00 32.58 32.82 2brr s HIS 189 CO 0.51 0.00 -0.04 -1.71 -0.85 0.00 0.00 174.74 172.65 2brr n ASN 190 N -0.52 2.22 -4.73 1.40 5.15 -1.26 -4.80 115.26 112.72 2brr n ASN 190 Ca -0.04 0.01 -0.35 0.00 -0.60 0.00 0.00 54.58 53.60 2brr n ASN 190 Cb 0.65 -0.08 -0.09 0.00 -0.53 0.00 0.00 39.78 39.73 2brr n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2brr s SER 191 N -4.80 5.46 -0.08 1.20 1.04 -1.26 -0.29 113.70 114.97 2brr s SER 191 Ca -0.05 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2brr s SER 191 Cb 0.02 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.58 2brr s SER 191 CO 0.08 0.36 -0.06 -0.31 0.98 0.00 0.00 173.24 174.29 2brr s TYR 192 N -0.96 1.11 -0.05 5.02 1.51 -0.08 -0.80 117.35 123.11 2brr s TYR 192 Ca 0.15 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2brr s TYR 192 Cb -0.12 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.80 2brr s TYR 192 CO 0.04 -0.34 -0.09 0.99 -1.11 0.00 0.00 175.55 175.05 2brr s THR 193 N 1.31 0.85 -0.08 -0.71 2.01 0.00 -1.23 115.64 117.80 2brr s THR 193 Ca -0.04 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.68 2brr s THR 193 Cb -0.14 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 2brr s THR 193 CO -0.03 0.29 -0.21 0.00 -0.69 0.00 0.00 174.62 173.98 2brr s GLU 195 N -0.03 2.11 -0.22 0.00 2.02 0.04 -1.35 118.70 121.27 2brr s GLU 195 Ca -0.06 -0.65 -0.06 0.00 0.02 0.00 0.00 54.97 54.22 2brr s GLU 195 Cb -0.15 -1.73 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 2brr s GLU 195 CO 0.05 0.19 0.03 0.00 0.02 0.00 0.00 175.26 175.54 2brr s ALA 196 N 0.25 3.11 -0.04 5.21 0.00 0.19 -1.23 121.76 129.24 2brr s ALA 196 Ca -0.10 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.88 2brr s ALA 196 Cb -0.14 -1.90 -0.00 0.00 0.00 0.00 0.00 23.12 21.08 2brr s ALA 196 CO 0.04 -0.25 -0.16 0.95 0.00 0.00 0.00 175.76 176.34 2brr s THR 197 N 1.19 1.29 0.59 0.00 -4.23 -0.53 -1.18 115.64 112.76 2brr s THR 197 Ca 0.04 -0.65 -0.18 0.00 -1.18 0.00 0.00 61.69 59.72 2brr s THR 197 Cb -0.14 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 2brr s THR 197 CO 0.02 0.38 1.11 -1.00 -0.54 0.00 0.00 174.62 174.59 2brr s HIS 198 N -0.00 2.68 0.50 3.99 3.76 -1.26 -0.90 115.29 124.06 2brr s HIS 198 Ca -0.02 1.55 0.16 0.00 -0.15 0.00 0.00 55.06 56.60 2brr s HIS 198 Cb -0.10 -3.22 1.22 0.00 1.11 0.00 0.00 32.58 31.58 2brr s HIS 198 CO 0.01 -1.56 2.09 1.57 -0.85 0.00 0.00 174.74 176.01 2brr h LYS 199 N 0.75 0.11 -0.33 1.40 -0.00 -1.96 -2.88 116.57 113.65 2brr h LYS 199 Ca -0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 2brr h LYS 199 Cb 1.25 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.46 2brr h LYS 199 CO 0.56 0.07 0.00 -2.37 -0.00 0.00 0.00 179.45 177.71 2brr n THR 200 N -4.49 0.42 -4.33 0.07 5.66 -1.26 -4.96 114.28 105.39 2brr n THR 200 Ca 0.01 -0.69 -0.24 0.00 -3.05 0.00 0.00 64.05 60.08 2brr n THR 200 Cb 0.21 1.01 -0.12 0.00 -1.55 0.00 0.00 70.33 69.88 2brr n THR 200 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2brr s SER 201 N -1.56 2.82 -0.11 1.09 0.15 -1.09 -5.03 113.70 109.96 2brr s SER 201 Ca 0.37 -0.77 0.14 0.00 0.70 0.00 0.00 55.95 56.39 2brr s SER 201 Cb 0.22 -0.17 0.43 0.00 -1.71 0.00 0.00 66.02 64.79 2brr s SER 201 CO 0.31 0.06 1.34 0.41 1.20 0.00 0.00 173.24 176.56 2brr n THR 202 N 0.70 1.78 -3.73 6.45 -1.04 -1.26 -4.57 114.28 112.61 2brr n THR 202 Ca -0.16 -1.56 -0.37 0.00 -2.04 0.00 0.00 64.05 59.92 2brr n THR 202 Cb 0.55 0.04 -0.12 0.00 -1.82 0.00 0.00 70.33 68.97 2brr n THR 202 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2brr s SER 203 N -1.61 5.23 0.68 8.00 0.01 -1.26 -5.11 113.70 119.65 2brr s SER 203 Ca 0.34 -0.58 -0.06 0.00 1.31 0.00 0.00 55.95 56.96 2brr s SER 203 Cb 0.25 -1.92 0.05 0.00 0.21 0.00 0.00 66.02 64.61 2brr s SER 203 CO 0.11 -0.17 0.99 -2.16 0.41 0.00 0.00 173.24 172.42 2brr s PRO 204 N 1.55 2.29 -0.18 12.44 0.04 -1.26 -4.76 135.00 145.12 2brr s PRO 204 Ca 0.04 -0.26 -0.05 0.00 0.04 0.00 0.00 61.00 60.76 2brr s PRO 204 Cb -0.17 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2brr s PRO 204 CO 0.04 -1.15 0.00 0.42 0.04 0.00 0.00 177.00 176.35 2brr s ILE 205 N -3.19 4.18 -0.02 0.56 1.01 -0.32 -4.93 121.20 118.48 2brr s ILE 205 Ca 0.59 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.07 2brr s ILE 205 Cb -0.11 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 2brr s ILE 205 CO 0.44 0.46 -0.25 0.68 0.00 0.00 0.00 174.94 176.27 2brr s VAL 206 N 0.56 2.00 -0.01 2.92 -7.23 -1.26 -0.64 120.40 116.74 2brr s VAL 206 Ca -0.00 -1.08 0.02 0.00 -1.81 0.00 0.00 61.98 59.10 2brr s VAL 206 Cb -0.14 -1.66 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 2brr s VAL 206 CO 0.02 0.57 -0.08 -0.54 -0.31 0.00 0.00 175.10 174.76 2brr s LYS 207 N -0.60 0.69 0.15 4.82 -0.14 -0.46 -5.02 119.74 119.19 2brr s LYS 207 Ca 0.10 -0.27 -0.05 0.00 -1.36 0.00 0.00 55.97 54.39 2brr s LYS 207 Cb -0.10 -0.67 -0.02 0.00 -1.68 0.00 0.00 37.83 35.36 2brr s LYS 207 CO -0.01 0.14 0.18 -1.54 -0.76 0.00 0.00 175.35 173.36 2brr s SER 208 N -0.04 0.16 0.14 2.83 1.04 -1.26 -0.91 113.70 115.66 2brr s SER 208 Ca 0.01 -1.05 -0.05 0.00 0.48 0.00 0.00 55.95 55.33 2brr s SER 208 Cb -0.05 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 2brr s SER 208 CO -0.00 -0.82 0.17 0.72 0.98 0.00 0.00 173.24 174.28 2brr s PHE 209 N -4.02 0.57 -0.05 5.02 -0.12 -0.36 -4.99 117.98 114.02 2brr s PHE 209 Ca 0.22 -0.95 0.05 0.00 -0.05 0.00 0.00 56.93 56.20 2brr s PHE 209 Cb 0.05 -0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 2brr s PHE 209 CO 0.02 -0.61 -0.20 -0.80 -0.05 0.00 0.00 175.22 173.58 2brr s ASN 210 N -2.99 3.50 0.42 1.98 0.01 -1.26 -0.90 114.94 115.70 2brr s ASN 210 Ca 0.18 -0.37 0.08 0.00 -0.71 0.00 0.00 52.86 52.04 2brr s ASN 210 Cb 0.05 -0.79 0.88 0.00 0.41 0.00 0.00 41.25 41.80 2brr s ASN 210 CO -0.01 0.29 2.05 0.03 -1.51 0.00 0.00 177.10 177.96 2brr h ARG 211 N 5.73 0.47 0.00 -0.60 3.08 -0.97 -3.29 114.38 118.80 2brr h ARG 211 Ca -0.39 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2brr h ARG 211 Cb 1.16 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2brr h ARG 211 CO 0.49 0.33 -0.56 -2.95 -1.07 0.00 0.00 179.97 176.21 2brr h ASN 212 N 0.48 0.00 -5.07 7.04 -1.07 -1.94 -3.48 115.58 111.54 2brr h ASN 212 Ca 0.13 -0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.43 2brr h ASN 212 Cb -0.02 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 36.09 2brr h ASN 212 CO -0.02 0.00 -0.12 -1.83 0.07 0.00 0.00 177.43 175.53 2brr s GLU 213 N -3.29 0.98 0.00 4.14 -1.05 -1.24 -5.28 118.70 112.96 2brr s GLU 213 Ca 0.03 -0.60 0.17 0.00 -0.15 0.00 0.00 54.97 54.42 2brr s GLU 213 Cb 0.08 0.43 1.01 0.00 -0.44 0.00 0.00 34.13 35.20 2brr s GLU 213 CO 0.74 -0.36 1.41 0.00 0.95 0.00 0.00 175.26 178.00