#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbr s VAL 17 N 0.00 5.35 -0.99 1.39 1.01 -0.24 -4.18 120.40 122.73 1bbr s VAL 17 Ca 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1bbr s VAL 17 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1bbr s VAL 17 CO 0.00 0.36 0.36 -0.62 0.00 0.00 0.00 175.10 175.21 1bbr n GLU 18 N 4.01 -2.99 -2.35 2.72 -0.58 -1.26 -1.36 120.64 118.83 1bbr n GLU 18 Ca -0.14 0.58 -0.10 0.00 -0.42 0.00 0.00 57.16 57.08 1bbr n GLU 18 Cb 0.52 -4.75 0.00 0.00 -0.57 0.00 0.00 31.44 26.64 1bbr n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bbr n GLY 19 N -1.23 2.80 3.34 0.62 0.00 -1.26 -4.72 105.19 104.74 1bbr n GLY 19 Ca -0.08 -2.22 -0.18 0.00 0.00 0.00 0.00 46.02 43.55 1bbr n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bbr s GLN 20 N -2.93 1.37 0.31 1.61 -2.07 -0.63 -4.88 119.66 112.43 1bbr s GLN 20 Ca 0.14 -1.69 -0.29 0.00 -1.82 0.00 0.00 55.36 51.70 1bbr s GLN 20 Cb -0.01 -0.65 -0.11 0.00 -1.09 0.00 0.00 33.01 31.15 1bbr s GLN 20 CO 0.09 -0.10 1.43 -0.51 -1.32 0.00 0.00 175.29 174.88 1bbr s ASP 21 N -3.32 6.57 0.35 12.60 1.01 -1.26 -0.42 116.67 132.21 1bbr s ASP 21 Ca 0.29 2.81 -0.19 0.00 0.71 0.00 0.00 52.55 56.18 1bbr s ASP 21 Cb 0.06 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 1bbr s ASP 21 CO 0.09 -0.72 0.83 0.00 0.21 0.00 0.00 175.17 175.58 1bbr s ALA 22 N -0.64 3.21 0.71 5.23 0.00 0.23 -4.79 121.76 125.70 1bbr s ALA 22 Ca 0.55 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.59 1bbr s ALA 22 Cb -0.43 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1bbr s ALA 22 CO 0.52 0.24 1.13 -1.21 0.00 0.00 0.00 175.76 176.44 1bbr s GLU 23 N -2.89 2.48 0.39 0.00 2.02 -1.26 -4.84 118.70 114.60 1bbr s GLU 23 Ca 0.56 1.44 -0.25 0.00 0.02 0.00 0.00 54.97 56.74 1bbr s GLU 23 Cb -0.11 -1.91 -0.09 0.00 0.10 0.00 0.00 34.13 32.13 1bbr s GLU 23 CO 0.17 -1.51 1.09 0.14 0.02 0.00 0.00 175.26 175.17 1bbr s VAL 24 N -2.37 3.50 -1.37 2.63 -7.23 -1.26 -3.14 120.40 111.17 1bbr s VAL 24 Ca 0.68 1.22 0.00 0.00 -1.81 0.00 0.00 61.98 62.06 1bbr s VAL 24 Cb -0.22 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.06 1bbr s VAL 24 CO 0.45 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.92 1bbr n GLY 25 N 0.53 0.49 0.15 2.32 0.00 -1.26 -4.92 105.19 102.49 1bbr n GLY 25 Ca 0.04 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 1bbr n GLY 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bbr h LEU 26 N 0.00 0.29 -6.00 0.99 5.85 -1.92 -3.39 115.31 111.15 1bbr h LEU 26 Ca -0.33 -0.21 -0.51 0.00 0.84 0.00 0.00 57.88 57.67 1bbr h LEU 26 Cb 1.13 -0.09 -0.35 0.00 0.37 0.00 0.00 40.66 41.72 1bbr h LEU 26 CO 0.42 0.95 -0.95 -0.24 -0.34 0.00 0.00 178.44 178.28 1bbr n SER 27 N -3.76 -0.68 0.00 1.25 2.88 -1.26 -5.00 113.62 107.05 1bbr n SER 27 Ca -0.03 -2.62 0.09 0.00 -1.33 0.00 0.00 58.87 54.98 1bbr n SER 27 Cb 0.73 -0.20 0.54 0.00 -0.75 0.00 0.00 64.21 64.52 1bbr n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1bbr n PRO 28 N 2.19 0.56 0.00 -1.46 -0.04 -1.26 -1.61 135.00 133.38 1bbr n PRO 28 Ca 0.24 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1bbr n PRO 28 Cb 0.52 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1bbr n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1bbr n TRP 29 N -1.01 0.00 -2.08 0.54 2.14 -1.14 -1.04 117.44 114.85 1bbr n TRP 29 Ca 0.13 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.28 1bbr n TRP 29 Cb 0.07 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.54 1bbr n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1bbr s GLN 30 N -2.13 4.24 0.07 -2.67 2.00 -0.63 -1.93 119.66 118.61 1bbr s GLN 30 Ca 0.17 2.14 0.08 0.00 -2.00 0.00 0.00 55.36 55.75 1bbr s GLN 30 Cb 0.16 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 30.35 1bbr s GLN 30 CO 0.46 -0.65 -0.23 0.08 -0.50 0.00 0.00 175.29 174.45 1bbr s VAL 31 N 2.52 1.85 -0.17 1.34 1.01 -0.86 -4.11 120.40 121.98 1bbr s VAL 31 Ca 0.69 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1bbr s VAL 31 Cb -0.35 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1bbr s VAL 31 CO 0.29 0.16 -0.02 -0.32 0.00 0.00 0.00 175.10 175.21 1bbr s MET 32 N -1.48 3.68 -0.25 2.72 1.75 -0.59 -1.02 119.30 124.11 1bbr s MET 32 Ca 0.09 -0.51 -0.12 0.00 -1.25 0.00 0.00 55.69 53.90 1bbr s MET 32 Cb -0.09 -2.98 -0.05 0.00 2.84 0.00 0.00 34.83 34.55 1bbr s MET 32 CO 0.03 0.19 0.24 -0.51 -0.65 0.00 0.00 175.02 174.32 1bbr s LEU 33 N 0.51 4.08 0.04 4.11 1.43 -0.98 -1.29 118.68 126.57 1bbr s LEU 33 Ca -0.02 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 1bbr s LEU 33 Cb -0.14 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1bbr s LEU 33 CO 0.02 -0.04 -0.21 0.12 0.23 0.00 0.00 176.35 176.47 1bbr s PHE 34 N 1.51 1.86 0.44 0.29 2.19 -0.00 -0.12 117.98 124.14 1bbr s PHE 34 Ca 0.10 -0.38 -0.15 0.00 0.33 0.00 0.00 56.93 56.84 1bbr s PHE 34 Cb -0.15 -1.12 -0.08 0.00 -1.31 0.00 0.00 43.02 40.36 1bbr s PHE 34 CO 0.08 0.08 0.87 0.50 1.83 0.00 0.00 175.22 178.59 1bbr s ARG 35 N -1.13 3.95 0.15 10.12 3.52 -0.35 -1.47 118.95 133.74 1bbr s ARG 35 Ca 0.08 0.78 0.22 0.00 -0.13 0.00 0.00 55.73 56.68 1bbr s ARG 35 Cb -0.09 -2.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.96 1bbr s ARG 35 CO 0.02 -0.09 0.93 1.63 -0.81 0.00 0.00 175.30 176.97 1bbr n LYS 36 N -1.15 0.62 -3.22 5.12 5.02 -0.50 -4.37 118.16 119.67 1bbr n LYS 36 Ca 0.05 0.06 0.04 0.00 -2.02 0.00 0.00 58.31 56.44 1bbr n LYS 36 Cb 0.54 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1bbr n LYS 36 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1bbr s SER 36 N -5.20 -0.37 1.06 4.39 0.01 -1.26 -4.66 113.70 107.66 1bbr s SER 36 Ca -0.02 0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 1bbr s SER 36 Cb 0.10 1.37 0.05 0.00 0.21 0.00 0.00 66.02 67.75 1bbr s SER 36 CO 0.81 -0.07 0.13 -0.81 0.41 0.00 0.00 173.24 173.71 1bbr n PRO 37 N 5.13 -2.04 -0.70 12.44 -0.04 -1.26 -5.03 135.00 143.49 1bbr n PRO 37 Ca -0.08 -0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.05 1bbr n PRO 37 Cb 0.54 -0.24 0.11 0.00 -0.04 0.00 0.00 33.50 33.87 1bbr n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bbr n GLN 38 N -2.33 1.83 -2.98 0.54 -0.00 -1.26 -4.61 117.38 108.57 1bbr n GLN 38 Ca 0.02 -1.75 -0.35 0.00 -0.00 0.00 0.00 57.00 54.92 1bbr n GLN 38 Cb 0.08 -1.70 -0.06 0.00 -0.00 0.00 0.00 30.24 28.55 1bbr n GLN 38 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1bbr s GLU 39 N -1.92 4.25 0.09 2.61 -1.05 -1.26 -4.80 118.70 116.62 1bbr s GLU 39 Ca 0.33 0.97 -0.31 0.00 -0.15 0.00 0.00 54.97 55.81 1bbr s GLU 39 Cb 0.28 -2.59 -0.07 0.00 -0.44 0.00 0.00 34.13 31.31 1bbr s GLU 39 CO 0.07 0.21 1.29 -1.17 0.95 0.00 0.00 175.26 176.61 1bbr s LEU 40 N -2.53 4.37 -0.19 1.83 0.20 -1.26 -1.22 118.68 119.88 1bbr s LEU 40 Ca 0.52 2.16 -0.02 0.00 0.69 0.00 0.00 54.13 57.48 1bbr s LEU 40 Cb -0.14 -3.58 -0.11 0.00 -0.43 0.00 0.00 46.19 41.93 1bbr s LEU 40 CO 0.19 -0.56 -0.19 0.18 -0.29 0.00 0.00 176.35 175.68 1bbr n LEU 41 N 3.94 2.58 0.00 -0.68 4.77 0.83 -4.93 117.00 123.51 1bbr n LEU 41 Ca 0.10 -0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1bbr n LEU 41 Cb 0.44 -0.65 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1bbr n LEU 41 CO 0.57 0.72 0.62 0.00 -1.33 0.00 0.00 177.39 177.97 1bbr s GLY 43 N -3.11 1.82 0.04 0.00 0.00 0.51 -2.33 107.32 104.26 1bbr s GLY 43 Ca 0.18 -2.00 -0.28 0.00 0.00 0.00 0.00 44.72 42.62 1bbr s GLY 43 CO 0.08 -1.68 1.21 0.00 0.00 0.00 0.00 173.10 172.71 1bbr s ALA 44 N -2.63 -2.15 0.06 3.20 0.00 -0.19 -3.80 121.76 116.25 1bbr s ALA 44 Ca 0.58 0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 1bbr s ALA 44 Cb -0.06 0.66 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 1bbr s ALA 44 CO 0.36 -1.09 0.17 -1.54 0.00 0.00 0.00 175.76 173.66 1bbr s SER 45 N -3.37 0.12 -0.40 0.00 1.04 0.41 -2.03 113.70 109.47 1bbr s SER 45 Ca 0.21 -0.54 -0.16 0.00 0.48 0.00 0.00 55.95 55.94 1bbr s SER 45 Cb 0.01 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1bbr s SER 45 CO -0.00 -0.62 0.39 -0.22 0.98 0.00 0.00 173.24 173.76 1bbr s LEU 46 N -2.46 4.82 0.00 2.42 0.20 -0.81 0.67 118.68 123.51 1bbr s LEU 46 Ca -0.00 -0.63 0.19 0.00 0.69 0.00 0.00 54.13 54.39 1bbr s LEU 46 Cb 0.02 -2.32 0.03 0.00 -0.43 0.00 0.00 46.19 43.49 1bbr s LEU 46 CO -0.07 -0.49 1.00 2.30 -0.29 0.00 0.00 176.35 178.80 1bbr n ILE 47 N 5.33 0.00 -3.76 6.68 -5.35 -0.63 -1.95 119.36 119.68 1bbr n ILE 47 Ca -0.09 -0.34 -0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1bbr n ILE 47 Cb 0.48 1.26 0.01 0.00 -1.74 0.00 0.00 39.64 39.65 1bbr n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1bbr n SER 48 N 0.17 -0.68 -0.44 7.28 3.41 -1.15 -4.74 113.62 117.46 1bbr n SER 48 Ca 0.09 -1.28 0.11 0.00 -0.26 0.00 0.00 58.87 57.52 1bbr n SER 48 Cb 0.42 1.09 0.45 0.00 -0.26 0.00 0.00 64.21 65.92 1bbr n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1bbr n ASP 49 N -0.76 1.32 0.00 4.04 5.75 -1.26 -3.95 116.55 121.70 1bbr n ASP 49 Ca 0.00 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1bbr n ASP 49 Cb 0.26 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1bbr n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1bbr n ARG 50 N 0.08 3.36 -5.12 0.11 3.00 -1.26 0.36 116.66 117.19 1bbr n ARG 50 Ca 0.17 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.73 1bbr n ARG 50 Cb 0.29 -0.66 -0.16 0.00 0.00 0.00 0.00 32.46 31.93 1bbr n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1bbr s TRP 51 N -0.82 2.08 -0.06 -0.14 0.52 -1.25 -0.13 118.94 119.14 1bbr s TRP 51 Ca 0.00 -0.47 0.06 0.00 0.02 0.00 0.00 56.10 55.70 1bbr s TRP 51 Cb 0.00 -1.35 -0.01 0.00 -1.15 0.00 0.00 33.47 30.96 1bbr s TRP 51 CO 0.00 -0.09 -0.25 0.08 0.02 0.00 0.00 176.95 176.71 1bbr s VAL 52 N -0.37 2.06 -0.05 4.03 1.01 -0.68 -1.61 120.40 124.78 1bbr s VAL 52 Ca 0.04 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1bbr s VAL 52 Cb -0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1bbr s VAL 52 CO 0.01 0.57 -0.14 -0.22 0.00 0.00 0.00 175.10 175.31 1bbr s LEU 53 N -0.11 2.73 0.00 3.92 2.96 0.21 -1.22 118.68 127.17 1bbr s LEU 53 Ca -0.05 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1bbr s LEU 53 Cb -0.14 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1bbr s LEU 53 CO 0.04 0.33 0.00 1.07 -1.32 0.00 0.00 176.35 176.48 1bbr n THR 54 N 2.39 0.00 -3.97 3.68 5.66 -0.85 -0.44 114.28 120.74 1bbr n THR 54 Ca -0.17 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 1bbr n THR 54 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.23 1bbr n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bbr s ALA 55 N -1.35 3.73 0.44 1.79 0.00 -1.26 -2.22 121.76 122.88 1bbr s ALA 55 Ca 0.00 -0.68 0.19 0.00 0.00 0.00 0.00 51.96 51.47 1bbr s ALA 55 Cb 0.00 -1.88 1.13 0.00 0.00 0.00 0.00 23.12 22.37 1bbr s ALA 55 CO 0.00 0.56 1.89 0.00 0.00 0.00 0.00 175.76 178.21 1bbr h ALA 56 N 5.21 2.25 0.00 0.00 0.00 -1.66 -1.00 119.26 124.07 1bbr h ALA 56 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1bbr h ALA 56 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bbr h ALA 56 CO 0.59 -0.50 0.00 -2.39 0.00 0.00 0.00 179.25 176.96 1bbr n HIS 57 N -4.47 0.34 0.17 0.00 1.44 -1.26 -0.50 115.22 110.94 1bbr n HIS 57 Ca 0.17 0.13 0.02 0.00 -2.01 0.00 0.00 57.72 56.02 1bbr n HIS 57 Cb 0.65 -0.71 0.33 0.00 0.12 0.00 0.00 29.99 30.38 1bbr n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bbr n LEU 59 N -4.07 2.82 -3.91 0.00 4.77 -0.59 -4.93 117.00 111.09 1bbr n LEU 59 Ca -0.02 -0.07 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 1bbr n LEU 59 Cb 0.42 -0.42 -0.16 0.00 -2.33 0.00 0.00 43.42 40.94 1bbr n LEU 59 CO 0.39 0.69 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.52 1bbr s LEU 60 N -5.70 2.50 0.17 2.23 2.96 0.34 -1.04 118.68 120.14 1bbr s LEU 60 Ca -0.17 -1.21 -0.11 0.00 -0.22 0.00 0.00 54.13 52.42 1bbr s LEU 60 Cb 0.04 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.62 1bbr s LEU 60 CO 0.31 -0.26 0.34 -0.47 -1.32 0.00 0.00 176.35 174.95 1bbr s TYR 60 N 1.43 0.25 0.00 5.38 5.04 -0.46 -4.20 117.35 124.80 1bbr s TYR 60 Ca -0.04 -0.61 0.00 0.00 -2.44 0.00 0.00 57.07 53.98 1bbr s TYR 60 Cb -0.19 0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.19 1bbr s TYR 60 CO -0.08 -0.76 0.00 -2.30 -1.34 0.00 0.00 175.55 171.07 1bbr n PRO 60 N -0.24 0.00 -0.18 4.97 -0.02 -1.26 -1.95 135.00 136.32 1bbr n PRO 60 Ca -0.08 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.48 1bbr n PRO 60 Cb 0.63 -0.02 0.24 0.00 -0.02 0.00 0.00 33.50 34.33 1bbr n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1bbr n TRP 60 N 0.00 0.47 -3.32 6.00 7.02 -1.26 -4.94 117.44 121.42 1bbr n TRP 60 Ca 0.00 -0.24 -0.18 0.00 -1.02 0.00 0.00 57.50 56.07 1bbr n TRP 60 Cb 0.00 0.00 0.07 0.00 -2.42 0.00 0.00 31.31 28.96 1bbr n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1bbr n ASP 60 N 0.68 -4.49 -4.62 -0.99 9.92 -1.04 -4.99 116.55 111.02 1bbr n ASP 60 Ca 0.15 -0.45 -0.35 0.00 -0.53 0.00 0.00 54.79 53.60 1bbr n ASP 60 Cb 0.37 -4.18 -0.10 0.00 -0.64 0.00 0.00 41.12 36.57 1bbr n ASP 60 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1bbr s LYS 60 N -5.77 3.97 -0.46 -1.24 2.20 -0.82 -4.96 119.74 112.66 1bbr s LYS 60 Ca 0.33 -0.34 0.06 0.00 -0.36 0.00 0.00 55.97 55.66 1bbr s LYS 60 Cb -0.15 -3.30 0.29 0.00 -1.51 0.00 0.00 37.83 33.16 1bbr s LYS 60 CO 0.59 0.18 1.05 -1.71 -0.36 0.00 0.00 175.35 175.10 1bbr n ASN 60 N 3.83 -2.50 -4.77 1.43 5.15 -1.06 -1.35 115.26 115.99 1bbr n ASN 60 Ca -0.16 -3.46 -0.41 0.00 -0.60 0.00 0.00 54.58 49.95 1bbr n ASN 60 Cb 0.52 1.85 -0.02 0.00 -0.53 0.00 0.00 39.78 41.60 1bbr n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1bbr s PHE 60 N 0.42 3.05 0.47 1.20 0.08 -0.21 -5.02 117.98 117.97 1bbr s PHE 60 Ca 0.26 1.39 0.07 0.00 0.12 0.00 0.00 56.93 58.77 1bbr s PHE 60 Cb 0.27 -3.69 -0.00 0.00 -0.57 0.00 0.00 43.02 39.03 1bbr s PHE 60 CO -0.13 -1.90 0.37 0.95 -0.10 0.00 0.00 175.22 174.41 1bbr s THR 60 N -1.05 2.22 0.51 0.64 -4.23 -1.26 -4.90 115.64 107.57 1bbr s THR 60 Ca 0.50 -1.44 0.20 0.00 -1.18 0.00 0.00 61.69 59.76 1bbr s THR 60 Cb -0.40 -2.66 0.34 0.00 1.34 0.00 0.00 72.50 71.12 1bbr s THR 60 CO 0.52 0.00 2.05 0.58 -0.54 0.00 0.00 174.62 177.23 1bbr h VAL 61 N 0.96 0.86 -1.06 2.29 2.07 -1.94 -2.79 116.25 116.65 1bbr h VAL 61 Ca -0.39 -0.02 -0.64 0.00 0.82 0.00 0.00 66.70 66.46 1bbr h VAL 61 Cb 1.28 0.79 -0.35 0.00 -1.52 0.00 0.00 31.29 31.49 1bbr h VAL 61 CO 0.59 0.01 0.19 -0.90 0.02 0.00 0.00 177.57 177.48 1bbr n ASP 62 N -4.45 6.51 0.00 0.57 5.68 -1.26 -3.88 116.55 119.72 1bbr n ASP 62 Ca 0.05 -3.78 0.00 0.00 -0.50 0.00 0.00 54.79 50.56 1bbr n ASP 62 Cb 0.37 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1bbr n ASP 62 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1bbr n ASP 63 N -0.77 4.40 -4.50 -1.12 8.00 -1.05 -5.01 116.55 116.49 1bbr n ASP 63 Ca 0.54 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.80 1bbr n ASP 63 Cb 0.72 0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 42.15 1bbr n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bbr s LEU 64 N -3.67 2.42 0.07 0.64 1.43 -1.25 -1.41 118.68 116.92 1bbr s LEU 64 Ca 0.00 -1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 51.59 1bbr s LEU 64 Cb 0.00 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.68 1bbr s LEU 64 CO 0.00 -0.54 0.34 -1.48 0.23 0.00 0.00 176.35 174.90 1bbr s LEU 65 N -3.56 0.73 -0.05 1.79 0.05 -0.54 -4.51 118.68 112.60 1bbr s LEU 65 Ca 0.36 -0.25 0.03 0.00 0.05 0.00 0.00 54.13 54.32 1bbr s LEU 65 Cb 0.09 1.52 -0.03 0.00 -2.05 0.00 0.00 46.19 45.72 1bbr s LEU 65 CO 0.16 -0.70 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.44 1bbr s VAL 66 N -3.05 3.18 -0.12 1.48 1.01 -0.68 -0.82 120.40 121.40 1bbr s VAL 66 Ca -0.02 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1bbr s VAL 66 Cb 0.01 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1bbr s VAL 66 CO -0.06 0.57 -0.15 -0.13 0.00 0.00 0.00 175.10 175.33 1bbr s ARG 67 N -0.81 2.25 0.04 2.72 0.52 -0.41 -1.56 118.95 121.70 1bbr s ARG 67 Ca 0.12 -0.56 0.08 0.00 -0.52 0.00 0.00 55.73 54.84 1bbr s ARG 67 Cb -0.11 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 1bbr s ARG 67 CO 0.01 -0.11 -0.21 0.42 0.02 0.00 0.00 175.30 175.43 1bbr s ILE 68 N 1.13 2.56 0.00 1.52 1.01 0.12 -1.54 121.20 126.01 1bbr s ILE 68 Ca -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1bbr s ILE 68 Cb -0.14 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1bbr s ILE 68 CO -0.04 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1bbr n GLY 69 N 1.69 0.74 3.56 6.18 0.00 -1.26 -1.89 105.19 114.20 1bbr n GLY 69 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 1bbr n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bbr s LYS 70 N -0.40 -0.61 0.29 1.61 1.02 -1.26 -4.56 119.74 115.83 1bbr s LYS 70 Ca 0.00 0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.56 1bbr s LYS 70 Cb 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 1bbr s LYS 70 CO 0.00 -3.44 0.00 1.58 -0.92 0.00 0.00 175.35 172.57 1bbr n HIS 71 N -4.68 -2.75 -2.47 3.18 -0.00 -1.26 -4.95 115.22 102.28 1bbr n HIS 71 Ca 0.05 0.64 -0.40 0.00 -0.00 0.00 0.00 57.72 58.00 1bbr n HIS 71 Cb 0.56 1.29 -0.04 0.00 -0.00 0.00 0.00 29.99 31.80 1bbr n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1bbr s SER 72 N -4.31 7.25 0.02 0.26 0.15 -1.26 -1.70 113.70 114.12 1bbr s SER 72 Ca 0.00 2.23 -0.11 0.00 0.70 0.00 0.00 55.95 58.77 1bbr s SER 72 Cb 0.00 -2.62 -0.32 0.00 -1.71 0.00 0.00 66.02 61.37 1bbr s SER 72 CO 0.00 -0.18 0.96 -0.09 1.20 0.00 0.00 173.24 175.13 1bbr h ARG 73 N 4.20 0.43 0.05 5.44 2.43 -0.90 -3.42 114.38 122.62 1bbr h ARG 73 Ca -0.46 -0.73 -0.35 0.00 -0.81 0.00 0.00 59.98 57.63 1bbr h ARG 73 Cb 1.21 0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 30.99 1bbr h ARG 73 CO 0.69 1.34 -2.09 0.25 -1.51 0.00 0.00 179.97 178.65 1bbr n THR 74 N -3.62 1.63 -3.82 0.20 -2.24 -1.26 -4.99 114.28 100.17 1bbr n THR 74 Ca -0.16 -0.70 -0.35 0.00 -2.27 0.00 0.00 64.05 60.57 1bbr n THR 74 Cb 1.08 -1.33 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 1bbr n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bbr s ARG 75 N -2.55 3.52 -0.12 -0.78 1.70 -1.26 -5.06 118.95 114.39 1bbr s ARG 75 Ca -0.19 -0.15 -0.29 0.00 -0.47 0.00 0.00 55.73 54.62 1bbr s ARG 75 Cb 0.07 -3.11 -0.03 0.00 -0.57 0.00 0.00 34.95 31.31 1bbr s ARG 75 CO 0.75 0.68 1.47 -0.47 -1.08 0.00 0.00 175.30 176.66 1bbr s TYR 76 N -1.26 2.38 -0.68 5.89 5.04 -1.26 -4.86 117.35 122.61 1bbr s TYR 76 Ca 0.25 0.59 -0.16 0.00 -2.44 0.00 0.00 57.07 55.31 1bbr s TYR 76 Cb -0.13 -3.75 0.16 0.00 0.35 0.00 0.00 41.96 38.59 1bbr s TYR 76 CO 0.15 -2.79 0.68 -1.21 -1.34 0.00 0.00 175.55 171.04 1bbr s GLU 77 N 3.87 3.26 0.20 4.97 2.02 -1.26 -5.00 118.70 126.76 1bbr s GLU 77 Ca 0.65 -1.89 -0.12 0.00 0.02 0.00 0.00 54.97 53.63 1bbr s GLU 77 Cb -0.27 -4.38 0.23 0.00 0.10 0.00 0.00 34.13 29.81 1bbr s GLU 77 CO 0.23 -1.40 1.71 0.07 0.02 0.00 0.00 175.26 175.89 1bbr h ARG 77 N 8.57 0.23 -0.17 1.61 0.11 -1.93 -0.36 114.38 122.44 1bbr h ARG 77 Ca -0.13 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.94 1bbr h ARG 77 Cb 1.07 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1bbr h ARG 77 CO 0.96 0.15 0.00 0.36 0.10 0.00 0.00 179.97 181.54 1bbr n LYS 78 N -5.13 2.39 -0.02 0.08 2.85 -1.26 -4.40 118.16 112.68 1bbr n LYS 78 Ca 0.07 -2.06 -0.01 0.00 -1.05 0.00 0.00 58.31 55.25 1bbr n LYS 78 Cb 0.28 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.14 1bbr n LYS 78 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1bbr n VAL 79 N 1.40 0.24 -4.09 0.58 0.24 -1.20 -5.06 118.33 110.45 1bbr n VAL 79 Ca 0.16 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.34 61.96 1bbr n VAL 79 Cb 0.60 -0.54 -0.07 0.00 -1.47 0.00 0.00 33.84 32.36 1bbr n VAL 79 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1bbr s GLU 80 N -2.18 2.97 0.08 7.34 -1.05 -0.15 -4.64 118.70 121.06 1bbr s GLU 80 Ca -0.02 -0.59 0.08 0.00 -0.15 0.00 0.00 54.97 54.30 1bbr s GLU 80 Cb 0.02 -2.79 -0.04 0.00 -0.44 0.00 0.00 34.13 30.88 1bbr s GLU 80 CO 0.20 0.61 -0.20 0.15 0.95 0.00 0.00 175.26 176.96 1bbr s LYS 81 N -2.04 1.86 0.11 -4.83 -0.14 -0.79 -4.86 119.74 109.04 1bbr s LYS 81 Ca 0.26 -1.11 0.08 0.00 -1.36 0.00 0.00 55.97 53.84 1bbr s LYS 81 Cb -0.12 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 33.90 1bbr s LYS 81 CO 0.18 0.51 -0.20 0.42 -0.76 0.00 0.00 175.35 175.50 1bbr s ILE 82 N -1.00 1.64 0.11 2.17 1.01 -1.26 -0.70 121.20 123.17 1bbr s ILE 82 Ca 0.15 -1.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.10 1bbr s ILE 82 Cb -0.10 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.85 1bbr s ILE 82 CO 0.06 -0.12 0.32 -0.55 0.00 0.00 0.00 174.94 174.66 1bbr s SER 83 N -2.00 -0.11 0.39 3.58 0.15 -0.60 -5.00 113.70 110.11 1bbr s SER 83 Ca 0.07 -0.41 0.08 0.00 0.70 0.00 0.00 55.95 56.38 1bbr s SER 83 Cb -0.09 0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1bbr s SER 83 CO 0.04 -0.79 0.44 -0.04 1.20 0.00 0.00 173.24 174.09 1bbr s MET 84 N -3.72 2.76 0.07 5.44 -1.94 -1.26 -1.69 119.30 118.97 1bbr s MET 84 Ca 0.03 -1.31 0.03 0.00 -1.71 0.00 0.00 55.69 52.73 1bbr s MET 84 Cb 0.03 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.23 1bbr s MET 84 CO -0.11 -0.13 0.09 -0.51 -0.01 0.00 0.00 175.02 174.35 1bbr s LEU 85 N -4.19 3.85 -0.23 -0.03 1.43 -1.26 -0.09 118.68 118.17 1bbr s LEU 85 Ca 0.49 0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 1bbr s LEU 85 Cb -0.07 -2.51 -0.09 0.00 0.03 0.00 0.00 46.19 43.55 1bbr s LEU 85 CO 0.30 0.18 -0.32 -0.67 0.23 0.00 0.00 176.35 176.07 1bbr n ASP 86 N 0.50 1.78 -4.00 2.29 2.03 0.62 -4.55 116.55 115.23 1bbr n ASP 86 Ca -0.09 0.31 -0.09 0.00 0.52 0.00 0.00 54.79 55.44 1bbr n ASP 86 Cb 0.52 -0.73 -0.11 0.00 -0.72 0.00 0.00 41.12 40.08 1bbr n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1bbr s LYS 87 N -2.55 0.37 -0.13 -0.67 -0.14 -1.18 -5.00 119.74 110.44 1bbr s LYS 87 Ca -0.33 -0.69 0.02 0.00 -1.36 0.00 0.00 55.97 53.62 1bbr s LYS 87 Cb 0.11 0.07 0.01 0.00 -1.68 0.00 0.00 37.83 36.34 1bbr s LYS 87 CO 0.43 -0.04 -0.21 0.42 -0.76 0.00 0.00 175.35 175.19 1bbr s ILE 88 N -1.68 1.93 -0.19 2.17 1.01 -1.26 -0.35 121.20 122.82 1bbr s ILE 88 Ca -0.13 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1bbr s ILE 88 Cb -0.08 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.71 1bbr s ILE 88 CO -0.02 0.52 -0.12 -0.31 0.00 0.00 0.00 174.94 175.02 1bbr s TYR 89 N 0.82 2.49 -0.13 3.97 2.02 0.26 -4.97 117.35 121.81 1bbr s TYR 89 Ca -0.08 -1.60 -0.01 0.00 -0.37 0.00 0.00 57.07 55.01 1bbr s TYR 89 Cb -0.16 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.69 1bbr s TYR 89 CO -0.01 -0.75 -0.08 0.42 -1.57 0.00 0.00 175.55 173.55 1bbr s ILE 90 N 1.37 3.49 0.08 2.71 1.01 -1.26 0.64 121.20 129.25 1bbr s ILE 90 Ca -0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 60.65 59.77 1bbr s ILE 90 Cb -0.16 -2.49 -0.18 0.00 0.01 0.00 0.00 42.46 39.65 1bbr s ILE 90 CO -0.09 0.52 1.10 1.57 0.00 0.00 0.00 174.94 178.05 1bbr n HIS 91 N 3.32 0.89 0.28 3.97 -0.00 -1.19 -4.79 115.22 117.71 1bbr n HIS 91 Ca -0.18 0.86 0.18 0.00 -0.00 0.00 0.00 57.72 58.57 1bbr n HIS 91 Cb 0.53 -2.18 0.95 0.00 -0.00 0.00 0.00 29.99 29.29 1bbr n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1bbr h PRO 92 N 3.27 0.00 -0.42 1.57 0.13 -1.95 -3.05 132.00 131.55 1bbr h PRO 92 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 1bbr h PRO 92 Cb 1.39 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.44 1bbr h PRO 92 CO 0.69 0.00 0.06 0.54 -0.23 0.00 0.00 178.00 179.06 1bbr n ARG 93 N -3.59 2.69 -2.00 0.86 1.74 -1.26 -5.02 116.66 110.08 1bbr n ARG 93 Ca -0.01 -3.01 -0.42 0.00 -0.77 0.00 0.00 57.85 53.63 1bbr n ARG 93 Cb 0.18 -1.93 -0.03 0.00 -1.02 0.00 0.00 32.46 29.67 1bbr n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1bbr s TYR 94 N -3.02 3.10 -0.35 -1.55 5.04 -1.16 -4.72 117.35 114.69 1bbr s TYR 94 Ca 0.46 0.76 -0.02 0.00 -2.44 0.00 0.00 57.07 55.83 1bbr s TYR 94 Cb 0.39 -3.85 0.08 0.00 0.35 0.00 0.00 41.96 38.93 1bbr s TYR 94 CO 0.07 -3.07 0.10 1.21 -1.34 0.00 0.00 175.55 172.52 1bbr s ASN 95 N 1.03 5.07 0.10 4.32 3.84 -0.12 -4.95 114.94 124.23 1bbr s ASN 95 Ca 0.67 -1.66 0.16 0.00 0.21 0.00 0.00 52.86 52.24 1bbr s ASN 95 Cb -0.42 -1.77 -0.10 0.00 -0.55 0.00 0.00 41.25 38.41 1bbr s ASN 95 CO 0.32 -0.40 0.97 4.11 -2.79 0.00 0.00 177.10 179.32 1bbr h TRP 96 N 8.01 0.00 0.00 0.43 5.08 -1.94 0.62 115.95 128.15 1bbr h TRP 96 Ca -0.16 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.72 1bbr h TRP 96 Cb 1.05 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.20 1bbr h TRP 96 CO 0.58 0.60 -0.90 1.57 -1.28 0.00 0.00 178.44 179.00 1bbr h LYS 97 N 0.00 0.00 0.00 0.12 2.10 -2.00 -3.41 116.57 113.38 1bbr h LYS 97 Ca -0.13 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.44 1bbr h LYS 97 Cb 1.57 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.89 1bbr h LYS 97 CO 0.06 0.23 -1.12 -1.91 -2.00 0.00 0.00 179.45 174.70 1bbr n GLU 97 N -2.94 0.43 -0.34 0.07 2.13 -1.26 -4.95 120.64 113.78 1bbr n GLU 97 Ca -0.03 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1bbr n GLU 97 Cb 0.70 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 31.16 1bbr n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1bbr n ASN 98 N -4.20 0.00 -3.61 4.31 6.94 -1.26 -4.79 115.26 112.65 1bbr n ASN 98 Ca -0.19 -1.51 -0.26 0.00 -0.02 0.00 0.00 54.58 52.60 1bbr n ASN 98 Cb 0.50 -0.10 0.05 0.00 -2.36 0.00 0.00 39.78 37.87 1bbr n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1bbr n LEU 99 N 0.00 -2.82 -4.75 -4.53 4.77 0.22 -4.94 117.00 104.94 1bbr n LEU 99 Ca 0.00 -0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 54.99 1bbr n LEU 99 Cb 0.60 -2.77 -0.04 0.00 -2.33 0.00 0.00 43.42 38.88 1bbr n LEU 99 CO 0.00 0.48 0.85 -0.62 -1.33 0.00 0.00 177.39 176.77 1bbr s ASP 100 N -3.16 7.13 -1.15 -1.43 2.15 -1.12 -3.51 116.67 115.58 1bbr s ASP 100 Ca 0.56 2.32 -0.01 0.00 0.43 0.00 0.00 52.55 55.85 1bbr s ASP 100 Cb -0.27 -2.62 -0.02 0.00 -0.30 0.00 0.00 42.92 39.72 1bbr s ASP 100 CO 0.69 -0.28 0.96 0.54 -0.17 0.00 0.00 175.17 176.92 1bbr n ARG 101 N 1.58 -5.56 -2.32 4.34 1.74 -1.26 -0.94 116.66 114.23 1bbr n ARG 101 Ca 0.01 0.84 -0.43 0.00 -0.77 0.00 0.00 57.85 57.50 1bbr n ARG 101 Cb 0.44 -5.80 0.00 0.00 -1.02 0.00 0.00 32.46 26.08 1bbr n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1bbr n ASP 102 N -3.12 4.62 -3.77 0.55 2.03 -1.23 -4.14 116.55 111.49 1bbr n ASP 102 Ca -0.24 -2.90 -0.12 0.00 0.52 0.00 0.00 54.79 52.06 1bbr n ASP 102 Cb 0.66 -1.72 -0.08 0.00 -0.72 0.00 0.00 41.12 39.26 1bbr n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1bbr s ILE 103 N 3.87 0.08 -0.04 5.18 2.07 -1.26 -3.79 121.20 127.31 1bbr s ILE 103 Ca 0.52 -0.62 -0.28 0.00 -1.41 0.00 0.00 60.65 58.86 1bbr s ILE 103 Cb 0.07 -0.78 0.06 0.00 0.13 0.00 0.00 42.46 41.94 1bbr s ILE 103 CO 0.03 -0.34 0.61 0.00 -1.91 0.00 0.00 174.94 173.32 1bbr s ALA 104 N -1.99 -1.57 -0.05 1.50 0.00 -0.94 -3.13 121.76 115.56 1bbr s ALA 104 Ca -0.09 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.06 1bbr s ALA 104 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1bbr s ALA 104 CO -0.00 -0.35 -0.25 -0.51 0.00 0.00 0.00 175.76 174.65 1bbr s LEU 105 N -1.21 2.08 -0.20 0.00 1.43 0.21 -2.01 118.68 118.97 1bbr s LEU 105 Ca -0.11 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1bbr s LEU 105 Cb -0.01 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.86 1bbr s LEU 105 CO 0.09 0.26 -0.14 -0.76 0.23 0.00 0.00 176.35 176.03 1bbr s LEU 106 N -0.24 2.53 -0.29 1.79 1.02 -0.36 0.90 118.68 124.03 1bbr s LEU 106 Ca -0.01 -0.68 -0.15 0.00 0.02 0.00 0.00 54.13 53.31 1bbr s LEU 106 Cb -0.13 -1.56 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 1bbr s LEU 106 CO 0.03 -0.04 0.38 -0.75 0.02 0.00 0.00 176.35 175.99 1bbr s LYS 107 N 1.32 3.89 0.44 1.70 2.47 0.52 -1.69 119.74 128.40 1bbr s LYS 107 Ca 0.04 -0.07 -0.25 0.00 -1.56 0.00 0.00 55.97 54.13 1bbr s LYS 107 Cb -0.14 -3.70 -0.08 0.00 -1.46 0.00 0.00 37.83 32.45 1bbr s LYS 107 CO -0.09 -0.36 1.31 -0.51 0.16 0.00 0.00 175.35 175.86 1bbr s LEU 108 N 2.08 4.11 0.40 5.43 1.43 0.81 -0.27 118.68 132.67 1bbr s LEU 108 Ca 0.15 2.65 0.17 0.00 -1.03 0.00 0.00 54.13 56.07 1bbr s LEU 108 Cb -0.16 -4.02 0.86 0.00 0.03 0.00 0.00 46.19 42.90 1bbr s LEU 108 CO 0.11 -1.02 1.85 0.50 0.23 0.00 0.00 176.35 178.01 1bbr h LYS 109 N 2.33 0.00 -4.23 1.70 3.64 -0.73 -3.40 116.57 115.88 1bbr h LYS 109 Ca -0.50 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.68 1bbr h LYS 109 Cb 1.26 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.88 1bbr h LYS 109 CO 0.61 0.32 -0.71 1.03 -2.27 0.00 0.00 179.45 178.44 1bbr s ARG 110 N -4.03 0.44 0.49 1.90 0.52 -1.26 -4.92 118.95 112.08 1bbr s ARG 110 Ca -0.02 -0.76 -0.22 0.00 -0.52 0.00 0.00 55.73 54.22 1bbr s ARG 110 Cb 0.13 -0.03 -0.07 0.00 0.52 0.00 0.00 34.95 35.50 1bbr s ARG 110 CO 0.69 -0.02 1.14 -2.14 0.02 0.00 0.00 175.30 174.99 1bbr s PRO 111 N -1.86 3.64 0.03 3.54 0.02 -1.26 -4.84 135.00 134.28 1bbr s PRO 111 Ca -0.10 1.69 -0.00 0.00 0.02 0.00 0.00 61.00 62.60 1bbr s PRO 111 Cb -0.07 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 1bbr s PRO 111 CO -0.02 -0.63 0.16 0.42 -0.33 0.00 0.00 177.00 176.61 1bbr s ILE 112 N -1.65 5.15 -0.31 2.83 -1.09 0.16 -5.00 121.20 121.29 1bbr s ILE 112 Ca 0.67 -0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 58.55 1bbr s ILE 112 Cb -0.26 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1bbr s ILE 112 CO 0.31 0.22 0.32 -0.70 -1.23 0.00 0.00 174.94 173.86 1bbr s GLU 113 N -2.20 3.76 0.76 2.79 2.12 -1.26 -4.77 118.70 119.90 1bbr s GLU 113 Ca 0.30 -0.28 -0.13 0.00 0.36 0.00 0.00 54.97 55.21 1bbr s GLU 113 Cb -0.13 -3.73 0.06 0.00 0.26 0.00 0.00 34.13 30.59 1bbr s GLU 113 CO 0.22 -0.38 1.17 -0.51 -0.54 0.00 0.00 175.26 175.22 1bbr s LEU 114 N 1.96 3.19 0.00 2.70 1.02 -1.26 -4.93 118.68 121.36 1bbr s LEU 114 Ca 0.11 2.21 -0.01 0.00 0.02 0.00 0.00 54.13 56.46 1bbr s LEU 114 Cb -0.16 -4.57 0.00 0.00 0.02 0.00 0.00 46.19 41.48 1bbr s LEU 114 CO 0.11 -2.33 0.05 -1.54 0.02 0.00 0.00 176.35 172.66 1bbr n SER 115 N -3.10 -0.13 0.25 2.29 3.41 -0.06 -4.95 113.62 111.33 1bbr n SER 115 Ca 0.12 -1.09 0.11 0.00 -0.26 0.00 0.00 58.87 57.75 1bbr n SER 115 Cb 0.51 0.22 0.68 0.00 -0.26 0.00 0.00 64.21 65.37 1bbr n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1bbr h ASP 116 N 0.12 0.00 -0.01 4.04 3.32 -1.98 -2.83 116.42 119.07 1bbr h ASP 116 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1bbr h ASP 116 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1bbr h ASP 116 CO 0.02 0.13 -0.01 -1.22 -1.72 0.00 0.00 179.24 176.45 1bbr n TYR 117 N -3.84 0.00 -3.69 4.55 4.01 -1.26 -4.81 117.16 112.11 1bbr n TYR 117 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1bbr n TYR 117 Cb 0.23 0.00 -0.18 0.00 -0.31 0.00 0.00 39.34 39.08 1bbr n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bbr s ILE 118 N -1.03 0.02 -0.29 -0.72 1.01 -1.07 -4.08 121.20 115.05 1bbr s ILE 118 Ca 0.14 0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.87 1bbr s ILE 118 Cb 0.10 -0.28 0.13 0.00 0.01 0.00 0.00 42.46 42.43 1bbr s ILE 118 CO 0.16 0.18 1.08 -2.28 0.00 0.00 0.00 174.94 174.07 1bbr s HIS 119 N 2.11 -0.43 0.65 3.97 2.46 -0.20 -0.88 115.29 122.96 1bbr s HIS 119 Ca 0.05 1.02 -0.16 0.00 0.47 0.00 0.00 55.06 56.45 1bbr s HIS 119 Cb -0.12 0.37 -0.01 0.00 -0.13 0.00 0.00 32.58 32.69 1bbr s HIS 119 CO -0.04 -0.21 1.13 -2.14 -2.47 0.00 0.00 174.74 171.01 1bbr s PRO 120 N 0.36 2.82 0.37 2.88 0.02 -1.26 -2.90 135.00 137.29 1bbr s PRO 120 Ca 0.02 1.48 0.07 0.00 0.02 0.00 0.00 61.00 62.59 1bbr s PRO 120 Cb -0.05 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 1bbr s PRO 120 CO -0.09 -1.25 0.42 0.54 -0.33 0.00 0.00 177.00 176.30 1bbr s VAL 121 N -2.18 3.42 0.35 3.83 0.11 -0.82 -4.93 120.40 120.18 1bbr s VAL 121 Ca 0.69 -1.17 -0.03 0.00 -2.93 0.00 0.00 61.98 58.54 1bbr s VAL 121 Cb -0.22 -3.18 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 1bbr s VAL 121 CO 0.39 -0.10 0.60 0.00 -3.33 0.00 0.00 175.10 172.67 1bbr s LEU 123 N -4.10 4.38 0.29 0.00 1.43 -1.26 -1.07 118.68 118.36 1bbr s LEU 123 Ca 0.43 0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 1bbr s LEU 123 Cb -0.10 -2.47 -0.10 0.00 0.03 0.00 0.00 46.19 43.55 1bbr s LEU 123 CO 0.35 0.31 1.16 -2.16 0.23 0.00 0.00 176.35 176.24 1bbr s PRO 124 N -1.51 4.56 0.11 1.29 0.04 -1.26 -4.90 135.00 133.33 1bbr s PRO 124 Ca 0.23 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.22 1bbr s PRO 124 Cb -0.13 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1bbr s PRO 124 CO 0.13 0.10 0.17 0.16 0.04 0.00 0.00 177.00 177.59 1bbr s ASP 125 N -0.77 5.89 0.32 6.66 1.47 -1.26 -4.88 116.67 124.11 1bbr s ASP 125 Ca 0.46 0.07 0.09 0.00 1.18 0.00 0.00 52.55 54.35 1bbr s ASP 125 Cb -0.34 -1.67 0.94 0.00 -0.34 0.00 0.00 42.92 41.51 1bbr s ASP 125 CO 0.45 0.12 1.64 0.50 0.68 0.00 0.00 175.17 178.56 1bbr h LYS 126 N 2.80 0.20 -0.37 2.11 3.64 -1.97 0.11 116.57 123.09 1bbr h LYS 126 Ca -0.47 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 1bbr h LYS 126 Cb 1.18 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1bbr h LYS 126 CO 0.68 0.13 -0.19 0.37 -2.27 0.00 0.00 179.45 178.17 1bbr h GLN 127 N 0.21 0.70 -1.27 1.90 5.75 -2.04 -1.48 115.11 118.89 1bbr h GLN 127 Ca 0.67 -0.26 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1bbr h GLN 127 Cb 1.49 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.99 1bbr h GLN 127 CO -0.68 0.85 0.00 2.41 -2.65 0.00 0.00 178.83 178.76 1bbr n THR 128 N -4.13 0.43 0.00 2.39 -1.04 0.37 -1.68 114.28 110.62 1bbr n THR 128 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bbr n THR 128 Cb 0.40 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1bbr n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bbr n ALA 129 N 0.62 0.00 0.02 2.41 0.00 -0.56 -1.94 120.51 121.07 1bbr n ALA 129 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1bbr n ALA 129 Cb 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.56 1bbr n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1bbr h LYS 129 N 0.00 0.03 0.03 0.00 6.56 -1.60 -3.41 116.57 118.18 1bbr h LYS 129 Ca 0.00 -0.05 -0.36 0.00 -1.06 0.00 0.00 60.65 59.18 1bbr h LYS 129 Cb 0.00 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 31.63 1bbr h LYS 129 CO 0.00 0.77 -2.16 1.28 -2.06 0.00 0.00 179.45 177.28 1bbr n LEU 129 N -3.22 1.72 -3.34 2.94 4.32 -0.82 -4.74 117.00 113.86 1bbr n LEU 129 Ca -0.10 0.11 -0.32 0.00 -0.02 0.00 0.00 56.01 55.68 1bbr n LEU 129 Cb 1.01 -0.39 -0.03 0.00 -1.62 0.00 0.00 43.42 42.39 1bbr n LEU 129 CO 0.46 0.69 2.58 0.18 -1.22 0.00 0.00 177.39 180.09 1bbr n LEU 130 N -3.15 5.82 -4.21 2.23 4.77 -1.26 -4.83 117.00 116.37 1bbr n LEU 130 Ca -0.33 -3.34 -0.23 0.00 -0.03 0.00 0.00 56.01 52.08 1bbr n LEU 130 Cb 1.06 -1.26 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 1bbr n LEU 130 CO 0.39 0.81 -0.49 -1.00 -1.33 0.00 0.00 177.39 175.76 1bbr s HIS 131 N 3.41 1.54 0.21 -1.77 3.76 -1.26 -5.02 115.29 116.15 1bbr s HIS 131 Ca 0.50 -0.37 -0.32 0.00 -0.15 0.00 0.00 55.06 54.72 1bbr s HIS 131 Cb 0.13 -0.91 -0.14 0.00 1.11 0.00 0.00 32.58 32.77 1bbr s HIS 131 CO -0.02 0.08 1.32 0.00 -0.85 0.00 0.00 174.74 175.27 1bbr n ALA 132 N 1.75 0.32 0.00 -1.40 0.00 -1.26 -1.34 120.51 118.59 1bbr n ALA 132 Ca -0.18 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1bbr n ALA 132 Cb 0.54 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1bbr n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bbr n GLY 133 N 2.17 3.23 3.74 0.00 0.00 0.30 -4.94 105.19 109.69 1bbr n GLY 133 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1bbr n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bbr s PHE 134 N -2.62 3.61 -0.08 1.61 0.40 -0.45 -4.60 117.98 115.85 1bbr s PHE 134 Ca 0.00 1.62 -0.05 0.00 -0.60 0.00 0.00 56.93 57.90 1bbr s PHE 134 Cb 0.00 -3.26 -0.04 0.00 0.51 0.00 0.00 43.02 40.23 1bbr s PHE 134 CO 0.00 -0.56 0.15 0.15 0.70 0.00 0.00 175.22 175.66 1bbr s LYS 135 N -0.45 3.42 0.46 0.44 1.02 -1.26 0.32 119.74 123.69 1bbr s LYS 135 Ca 0.49 -0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.29 1bbr s LYS 135 Cb -0.29 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1bbr s LYS 135 CO 0.35 0.74 0.08 0.20 -0.92 0.00 0.00 175.35 175.80 1bbr s GLY 136 N -1.35 2.84 -0.04 -3.33 0.00 -0.68 -4.81 107.32 99.95 1bbr s GLY 136 Ca 0.19 -0.77 0.06 0.00 0.00 0.00 0.00 44.72 44.20 1bbr s GLY 136 CO 0.09 -2.00 -0.23 -1.60 0.00 0.00 0.00 173.10 169.37 1bbr s ARG 137 N -3.77 2.18 -0.08 2.90 3.52 0.77 -1.01 118.95 123.46 1bbr s ARG 137 Ca 0.14 -0.81 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 1bbr s ARG 137 Cb 0.02 -1.92 -0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1bbr s ARG 137 CO 0.09 0.38 -0.17 0.08 -0.81 0.00 0.00 175.30 174.88 1bbr s VAL 138 N -0.22 2.80 0.08 7.11 1.01 -0.75 -1.56 120.40 128.87 1bbr s VAL 138 Ca -0.00 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1bbr s VAL 138 Cb -0.12 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1bbr s VAL 138 CO 0.02 0.56 -0.10 0.42 0.00 0.00 0.00 175.10 176.00 1bbr s THR 139 N -0.23 0.89 0.00 3.92 -4.23 -1.25 -2.85 115.64 111.89 1bbr s THR 139 Ca 0.00 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1bbr s THR 139 Cb -0.13 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1bbr s THR 139 CO 0.03 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1bbr n GLY 140 N 0.80 0.48 0.65 3.99 0.00 -1.08 -4.54 105.19 105.49 1bbr n GLY 140 Ca -0.18 -1.07 0.06 0.00 0.00 0.00 0.00 46.02 44.83 1bbr n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bbr n TRP 141 N -0.61 0.54 -1.35 1.61 8.01 -1.26 -2.01 117.44 122.37 1bbr n TRP 141 Ca 0.00 -0.60 -0.29 0.00 -1.31 0.00 0.00 57.50 55.30 1bbr n TRP 141 Cb 0.00 -0.10 0.18 0.00 -2.01 0.00 0.00 31.31 29.38 1bbr n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1bbr s GLY 142 N -1.26 1.60 0.31 6.99 0.00 -1.24 -4.46 107.32 109.26 1bbr s GLY 142 Ca 0.26 -0.69 -0.25 0.00 0.00 0.00 0.00 44.72 44.05 1bbr s GLY 142 CO 0.13 0.01 0.43 0.70 0.00 0.00 0.00 173.10 174.36 1bbr n ASN 143 N -4.17 -1.47 -0.84 1.64 3.02 0.12 -2.00 115.26 111.55 1bbr n ASN 143 Ca 0.09 0.99 0.12 0.00 -0.03 0.00 0.00 54.58 55.76 1bbr n ASN 143 Cb 0.59 -0.99 0.21 0.00 -0.61 0.00 0.00 39.78 38.98 1bbr n ASN 143 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bbr n ARG 144 N 1.01 2.16 -3.56 3.52 1.74 0.31 -0.85 116.66 121.00 1bbr n ARG 144 Ca 0.14 -1.69 -0.13 0.00 -0.77 0.00 0.00 57.85 55.40 1bbr n ARG 144 Cb 0.33 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.25 1bbr n ARG 144 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1bbr s ARG 145 N -1.98 0.73 0.21 5.56 1.70 -1.26 -4.58 118.95 119.33 1bbr s ARG 145 Ca 0.31 0.22 0.06 0.00 -0.47 0.00 0.00 55.73 55.84 1bbr s ARG 145 Cb 0.20 0.35 0.13 0.00 -0.57 0.00 0.00 34.95 35.06 1bbr s ARG 145 CO 0.31 -0.22 1.47 1.05 -1.08 0.00 0.00 175.30 176.83 1bbr h GLU 146 N 2.82 0.13 -6.56 3.89 4.11 -1.90 -3.41 114.58 113.65 1bbr h GLU 146 Ca -0.22 -0.12 -0.55 0.00 0.07 0.00 0.00 59.36 58.55 1bbr h GLU 146 Cb 1.16 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 1bbr h GLU 146 CO 0.32 0.82 1.00 0.99 0.07 0.00 0.00 179.01 182.21 1bbr s THR 147 N -3.39 3.99 0.06 -1.06 2.01 -1.26 -5.03 115.64 110.95 1bbr s THR 147 Ca -0.02 0.90 -0.15 0.00 0.31 0.00 0.00 61.69 62.73 1bbr s THR 147 Cb 0.11 -4.62 0.03 0.00 0.01 0.00 0.00 72.50 68.03 1bbr s THR 147 CO 0.80 -1.23 0.35 0.86 -0.69 0.00 0.00 174.62 174.71 1bbr s TRP 148 N 5.15 -0.16 0.00 4.92 -0.00 -1.26 -4.75 118.94 122.84 1bbr s TRP 148 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.10 56.57 1bbr s TRP 148 Cb -0.08 0.15 0.00 0.00 -0.00 0.00 0.00 33.47 33.54 1bbr s TRP 148 CO 0.27 -0.56 0.00 2.41 -0.00 0.00 0.00 176.95 179.07 1bbr n THR 149 N 0.38 0.00 -0.43 5.86 -1.04 0.15 -4.44 114.28 114.77 1bbr n THR 149 Ca -0.18 0.00 0.40 0.00 -2.04 0.00 0.00 64.05 62.23 1bbr n THR 149 Cb 0.60 0.00 0.76 0.00 -1.82 0.00 0.00 70.33 69.87 1bbr n THR 149 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1bbr h SER 149 N 0.00 0.00 -1.55 8.00 0.87 -2.03 4.24 113.55 123.08 1bbr h SER 149 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1bbr h SER 149 Cb 0.00 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 61.54 1bbr h SER 149 CO 0.00 0.00 -0.78 0.52 -0.53 0.00 0.00 176.83 176.04 1bbr n VAL 149 N -4.03 2.27 0.00 2.23 0.31 -1.26 -5.06 118.33 112.79 1bbr n VAL 149 Ca 0.31 -4.81 0.00 0.00 -0.01 0.00 0.00 64.34 59.83 1bbr n VAL 149 Cb 1.49 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 1bbr n VAL 149 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bbr n ALA 149 N -0.41 0.00 -3.72 3.52 0.00 1.40 -4.08 120.51 117.22 1bbr n ALA 149 Ca 0.35 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.61 1bbr n ALA 149 Cb 0.65 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.93 1bbr n ALA 149 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1bbr s GLU 149 N 0.00 0.08 -0.31 0.00 2.56 -1.26 0.34 118.70 120.11 1bbr s GLU 149 Ca 0.00 0.23 0.08 0.00 0.00 0.00 0.00 54.97 55.28 1bbr s GLU 149 Cb 0.00 -0.47 0.52 0.00 2.00 0.00 0.00 34.13 36.18 1bbr s GLU 149 CO 0.00 -0.24 1.51 1.33 -0.56 0.00 0.00 175.26 177.31 1bbr n VAL 150 N 4.69 2.63 -3.72 3.70 0.24 -1.26 -4.90 118.33 119.71 1bbr n VAL 150 Ca -0.16 -2.72 -0.38 0.00 -2.04 0.00 0.00 64.34 59.04 1bbr n VAL 150 Cb 0.50 -0.36 -0.12 0.00 -1.47 0.00 0.00 33.84 32.39 1bbr n VAL 150 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1bbr s GLN 151 N -3.28 3.12 0.89 7.34 -0.21 -1.26 -0.53 119.66 125.73 1bbr s GLN 151 Ca 0.46 -0.85 -0.12 0.00 0.02 0.00 0.00 55.36 54.88 1bbr s GLN 151 Cb 0.42 -3.45 0.12 0.00 1.00 0.00 0.00 33.01 31.10 1bbr s GLN 151 CO 0.01 -0.46 1.11 -1.25 -2.12 0.00 0.00 175.29 172.57 1bbr s PRO 152 N 1.53 1.33 -0.18 2.91 0.04 -1.26 -5.01 135.00 134.36 1bbr s PRO 152 Ca 0.03 0.53 0.17 0.00 0.04 0.00 0.00 61.00 61.76 1bbr s PRO 152 Cb -0.17 -1.84 -0.23 0.00 0.04 0.00 0.00 34.50 32.29 1bbr s PRO 152 CO 0.04 -2.12 0.07 -1.13 0.04 0.00 0.00 177.00 173.90 1bbr n SER 153 N -3.75 0.39 -4.68 6.66 3.41 -1.26 -4.78 113.62 109.61 1bbr n SER 153 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.44 1bbr n SER 153 Cb 0.57 0.98 -0.07 0.00 -0.26 0.00 0.00 64.21 65.43 1bbr n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bbr s VAL 154 N -2.47 2.95 0.25 -3.33 1.01 -1.26 -0.21 120.40 117.33 1bbr s VAL 154 Ca -0.09 -1.84 -0.30 0.00 0.00 0.00 0.00 61.98 59.75 1bbr s VAL 154 Cb 0.06 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.46 1bbr s VAL 154 CO 0.77 -0.22 1.36 -0.22 0.00 0.00 0.00 175.10 176.78 1bbr s LEU 155 N -3.77 4.41 0.15 3.92 2.96 -0.69 -4.88 118.68 120.79 1bbr s LEU 155 Ca 0.35 2.58 0.03 0.00 -0.22 0.00 0.00 54.13 56.87 1bbr s LEU 155 Cb -0.02 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1bbr s LEU 155 CO 0.21 -0.59 0.27 -1.10 -1.32 0.00 0.00 176.35 173.82 1bbr s GLN 156 N -0.67 3.40 -0.04 1.98 -1.52 -0.85 0.74 119.66 122.70 1bbr s GLN 156 Ca 0.56 -0.61 -0.01 0.00 -1.95 0.00 0.00 55.36 53.35 1bbr s GLN 156 Cb -0.39 -2.94 0.03 0.00 -0.22 0.00 0.00 33.01 29.48 1bbr s GLN 156 CO 0.44 0.52 0.03 0.08 -0.25 0.00 0.00 175.29 176.11 1bbr s VAL 157 N -1.73 0.05 -0.01 1.09 1.01 0.44 -2.65 120.40 118.60 1bbr s VAL 157 Ca 0.34 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1bbr s VAL 157 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1bbr s VAL 157 CO 0.28 0.15 -0.10 0.54 0.00 0.00 0.00 175.10 175.97 1bbr s VAL 158 N 1.50 0.82 -0.13 2.92 0.11 -1.13 -1.61 120.40 122.87 1bbr s VAL 158 Ca -0.03 -0.43 -0.06 0.00 -2.93 0.00 0.00 61.98 58.53 1bbr s VAL 158 Cb -0.13 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1bbr s VAL 158 CO -0.03 0.23 0.07 0.20 -3.33 0.00 0.00 175.10 172.25 1bbr s ASN 159 N -0.17 5.76 -0.06 3.54 0.01 -1.26 -1.81 114.94 120.96 1bbr s ASN 159 Ca 0.03 0.22 -0.08 0.00 -0.71 0.00 0.00 52.86 52.32 1bbr s ASN 159 Cb -0.05 -1.85 0.02 0.00 0.41 0.00 0.00 41.25 39.77 1bbr s ASN 159 CO -0.00 0.31 0.20 -1.48 -1.51 0.00 0.00 177.10 174.62 1bbr s LEU 160 N -0.43 1.24 0.40 0.60 0.05 -0.18 -4.96 118.68 115.40 1bbr s LEU 160 Ca 0.10 0.27 -0.26 0.00 0.05 0.00 0.00 54.13 54.29 1bbr s LEU 160 Cb -0.12 0.76 -0.09 0.00 -2.05 0.00 0.00 46.19 44.69 1bbr s LEU 160 CO 0.02 -0.17 1.20 -2.16 -0.55 0.00 0.00 176.35 174.69 1bbr s PRO 161 N -0.32 4.06 0.40 1.48 0.04 -1.26 -1.68 135.00 137.71 1bbr s PRO 161 Ca -0.04 1.91 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 1bbr s PRO 161 Cb -0.03 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 1bbr s PRO 161 CO 0.01 -0.34 1.07 -0.51 0.04 0.00 0.00 177.00 177.28 1bbr s LEU 162 N -2.44 4.15 0.24 -3.56 1.43 0.15 -1.05 118.68 117.60 1bbr s LEU 162 Ca 0.57 2.10 0.08 0.00 -1.03 0.00 0.00 54.13 55.85 1bbr s LEU 162 Cb -0.32 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 41.71 1bbr s LEU 162 CO 0.41 -0.53 0.03 -0.69 0.23 0.00 0.00 176.35 175.80 1bbr s VAL 163 N -1.60 3.70 0.22 -1.59 1.01 -1.01 -0.54 120.40 120.60 1bbr s VAL 163 Ca 0.58 -1.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 1bbr s VAL 163 Cb -0.24 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1bbr s VAL 163 CO 0.30 -0.29 1.10 -1.83 0.00 0.00 0.00 175.10 174.38 1bbr s GLU 164 N -3.48 4.61 0.24 2.72 1.03 -1.26 -4.72 118.70 117.85 1bbr s GLU 164 Ca 0.30 1.76 -0.10 0.00 0.03 0.00 0.00 54.97 56.96 1bbr s GLU 164 Cb -0.08 -3.24 0.35 0.00 -0.80 0.00 0.00 34.13 30.37 1bbr s GLU 164 CO 0.20 0.13 1.60 -0.09 -1.33 0.00 0.00 175.26 175.78 1bbr h ARG 165 N 4.53 0.01 -1.00 -4.83 2.43 -1.98 0.40 114.38 113.94 1bbr h ARG 165 Ca -0.45 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.77 1bbr h ARG 165 Cb 1.21 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.70 1bbr h ARG 165 CO 0.70 0.01 0.65 -1.35 -1.51 0.00 0.00 179.97 178.47 1bbr h PRO 166 N 0.01 1.17 0.00 0.20 0.11 -1.98 0.61 132.00 132.12 1bbr h PRO 166 Ca 0.39 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.33 1bbr h PRO 166 Cb 0.61 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1bbr h PRO 166 CO -0.80 0.78 -0.45 -0.39 -0.21 0.00 0.00 178.00 176.93 1bbr h VAL 167 N 1.21 0.93 -0.11 3.15 -1.51 -0.63 -2.04 116.25 117.25 1bbr h VAL 167 Ca 0.42 -1.84 -0.20 0.00 -1.23 0.00 0.00 66.70 63.85 1bbr h VAL 167 Cb 0.10 2.13 0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1bbr h VAL 167 CO -0.15 0.44 -0.70 0.00 -1.23 0.00 0.00 177.57 175.92 1bbr h LYS 169 N 0.34 0.67 0.00 0.00 3.64 0.23 -3.03 116.57 118.42 1bbr h LYS 169 Ca -0.06 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.12 1bbr h LYS 169 Cb 1.35 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1bbr h LYS 169 CO 0.14 0.61 -0.41 0.00 -2.27 0.00 0.00 179.45 177.53 1bbr h ALA 170 N 1.47 0.86 0.00 5.00 0.00 -1.35 -3.28 119.26 121.95 1bbr h ALA 170 Ca 0.15 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1bbr h ALA 170 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1bbr h ALA 170 CO -0.00 0.51 -0.03 0.66 0.00 0.00 0.00 179.25 180.38 1bbr h SER 171 N 0.00 0.00 -5.07 0.00 4.64 -1.36 -3.46 113.55 108.29 1bbr h SER 171 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1bbr h SER 171 Cb 1.09 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.03 1bbr h SER 171 CO 0.05 0.03 -0.62 0.28 -0.87 0.00 0.00 176.83 175.70 1bbr s THR 172 N -3.84 0.27 -0.57 2.95 -1.32 -1.24 -4.91 115.64 106.98 1bbr s THR 172 Ca -0.01 -1.99 0.23 0.00 -1.21 0.00 0.00 61.69 58.72 1bbr s THR 172 Cb 0.10 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 1bbr s THR 172 CO 0.52 -0.08 1.16 0.54 -2.21 0.00 0.00 174.62 174.55 1bbr n ARG 173 N -0.33 0.33 -2.72 7.08 1.74 -1.26 -4.88 116.66 116.62 1bbr n ARG 173 Ca -0.00 0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 1bbr n ARG 173 Cb 0.66 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 1bbr n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bbr s ILE 174 N -3.21 4.03 -0.74 0.55 1.01 -1.26 -4.97 121.20 116.62 1bbr s ILE 174 Ca 0.04 1.93 -0.27 0.00 0.00 0.00 0.00 60.65 62.36 1bbr s ILE 174 Cb 0.13 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1bbr s ILE 174 CO 0.76 0.37 1.37 -0.60 0.00 0.00 0.00 174.94 176.85 1bbr s ARG 175 N -1.49 3.14 0.57 2.79 3.52 -1.26 -5.01 118.95 121.21 1bbr s ARG 175 Ca 0.44 -0.19 -0.14 0.00 -0.13 0.00 0.00 55.73 55.72 1bbr s ARG 175 Cb -0.24 -4.29 -0.06 0.00 -1.56 0.00 0.00 34.95 28.80 1bbr s ARG 175 CO 0.31 -2.24 1.01 0.42 -0.81 0.00 0.00 175.30 173.98 1bbr s ILE 176 N 6.16 4.58 0.34 4.11 -1.09 -1.26 -4.72 121.20 129.32 1bbr s ILE 176 Ca 0.40 1.04 0.04 0.00 -2.23 0.00 0.00 60.65 59.90 1bbr s ILE 176 Cb -0.08 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1bbr s ILE 176 CO 0.14 -0.90 0.17 0.42 -1.23 0.00 0.00 174.94 173.53 1bbr s THR 177 N -2.89 0.36 -0.28 2.92 -4.23 -1.26 -5.05 115.64 105.21 1bbr s THR 177 Ca 0.57 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.33 1bbr s THR 177 Cb -0.11 -2.47 0.26 0.00 1.34 0.00 0.00 72.50 71.52 1bbr s THR 177 CO 0.43 0.00 1.75 0.44 -0.54 0.00 0.00 174.62 176.69 1bbr h ASP 178 N 2.09 0.00 -0.16 3.99 3.32 -2.03 -2.95 116.42 120.68 1bbr h ASP 178 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1bbr h ASP 178 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1bbr h ASP 178 CO 0.51 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.62 1bbr n ASN 179 N -2.35 1.58 -4.38 6.45 3.02 -1.26 -4.86 115.26 113.46 1bbr n ASN 179 Ca 0.00 -1.69 -0.23 0.00 -0.03 0.00 0.00 54.58 52.64 1bbr n ASN 179 Cb 0.15 -0.10 -0.11 0.00 -0.61 0.00 0.00 39.78 39.12 1bbr n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1bbr s MET 180 N -1.80 1.41 0.07 3.52 -1.94 -1.12 0.05 119.30 119.49 1bbr s MET 180 Ca 0.32 -1.53 -0.11 0.00 -1.71 0.00 0.00 55.69 52.66 1bbr s MET 180 Cb 0.17 -1.48 0.01 0.00 2.01 0.00 0.00 34.83 35.55 1bbr s MET 180 CO 0.26 0.29 0.25 -0.59 -0.01 0.00 0.00 175.02 175.22 1bbr s PHE 181 N -2.23 0.02 0.29 -0.03 -0.12 -0.85 -4.83 117.98 110.23 1bbr s PHE 181 Ca 0.21 -0.32 0.11 0.00 -0.05 0.00 0.00 56.93 56.87 1bbr s PHE 181 Cb -0.05 0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.31 1bbr s PHE 181 CO 0.09 -0.53 -0.17 0.00 -0.05 0.00 0.00 175.22 174.56 1bbr s ALA 183 N -2.58 -0.90 0.00 0.00 0.00 -0.76 -2.41 121.76 115.11 1bbr s ALA 183 Ca 0.30 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1bbr s ALA 183 Cb -0.03 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1bbr s ALA 183 CO 0.15 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1bbr n GLY 184 N 1.25 1.39 3.85 0.00 0.00 -0.21 -2.45 105.19 109.01 1bbr n GLY 184 Ca -0.21 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 1bbr n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bbr s TYR 184 N -1.77 3.68 0.60 1.61 2.02 -1.26 -4.41 117.35 117.81 1bbr s TYR 184 Ca 0.00 0.89 -0.14 0.00 -0.37 0.00 0.00 57.07 57.45 1bbr s TYR 184 Cb 0.00 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 1bbr s TYR 184 CO 0.00 0.63 1.03 0.15 -1.57 0.00 0.00 175.55 175.80 1bbr s LYS 185 N -1.24 3.46 0.54 -0.62 3.01 -1.26 -4.81 119.74 118.81 1bbr s LYS 185 Ca 0.24 1.01 0.25 0.00 -1.01 0.00 0.00 55.97 56.47 1bbr s LYS 185 Cb -0.15 -2.06 1.41 0.00 -1.01 0.00 0.00 37.83 36.02 1bbr s LYS 185 CO 0.13 -0.68 2.00 -1.35 0.51 0.00 0.00 175.35 175.96 1bbr h PRO 186 N 0.21 0.00 -0.01 -1.68 0.11 -1.96 0.44 132.00 129.11 1bbr h PRO 186 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bbr h PRO 186 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1bbr h PRO 186 CO 0.59 0.00 -0.07 0.41 -0.21 0.00 0.00 178.00 178.72 1bbr n GLY 186 N -1.63 -0.28 0.16 -0.55 0.00 -1.26 -4.65 105.19 96.98 1bbr n GLY 186 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1bbr n GLY 186 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bbr h GLU 186 N 1.80 0.00 0.00 1.61 5.08 -1.27 -3.47 114.58 118.33 1bbr h GLU 186 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bbr h GLU 186 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1bbr h GLU 186 CO 0.00 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 178.94 1bbr n GLY 186 N -0.05 0.41 3.28 -3.84 0.00 -1.26 -5.01 105.19 98.72 1bbr n GLY 186 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1bbr n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bbr s LYS 186 N -0.88 1.15 0.25 1.61 1.02 -1.26 -5.16 119.74 116.46 1bbr s LYS 186 Ca 0.00 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.54 1bbr s LYS 186 Cb 0.00 -0.84 -0.05 0.00 -0.52 0.00 0.00 37.83 36.42 1bbr s LYS 186 CO 0.00 0.13 0.06 1.03 -0.92 0.00 0.00 175.35 175.65 1bbr s ARG 187 N -3.54 1.38 0.00 1.68 0.52 -1.26 -4.79 118.95 112.93 1bbr s ARG 187 Ca 0.17 -1.73 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 1bbr s ARG 187 Cb 0.00 -0.40 0.00 0.00 0.52 0.00 0.00 34.95 35.07 1bbr s ARG 187 CO 0.03 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.54 1bbr n GLY 188 N -0.45 4.55 3.82 -3.53 0.00 -1.25 -4.89 105.19 103.44 1bbr n GLY 188 Ca -0.02 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 1bbr n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bbr s ASP 189 N 0.00 -0.10 0.44 1.61 2.15 -0.47 -4.62 116.67 115.68 1bbr s ASP 189 Ca 0.00 -0.69 -0.00 0.00 0.43 0.00 0.00 52.55 52.29 1bbr s ASP 189 Cb 0.00 0.62 -0.01 0.00 -0.30 0.00 0.00 42.92 43.23 1bbr s ASP 189 CO 0.00 -1.19 0.66 0.00 -0.17 0.00 0.00 175.17 174.47 1bbr s ALA 190 N -2.87 3.70 0.19 3.66 0.00 -1.26 -1.08 121.76 124.10 1bbr s ALA 190 Ca 0.15 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.10 1bbr s ALA 190 Cb -0.03 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.92 1bbr s ALA 190 CO 0.06 -0.32 0.33 0.00 0.00 0.00 0.00 175.76 175.83 1bbr s GLU 192 N -2.25 4.17 0.00 0.00 -1.05 -1.26 -2.21 118.70 116.10 1bbr s GLU 192 Ca 0.12 2.48 0.00 0.00 -0.15 0.00 0.00 54.97 57.42 1bbr s GLU 192 Cb -0.01 -3.01 0.00 0.00 -0.44 0.00 0.00 34.13 30.66 1bbr s GLU 192 CO 0.09 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.23 1bbr n GLY 193 N 1.08 0.41 0.03 -3.83 0.00 -1.26 0.13 105.19 101.74 1bbr n GLY 193 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1bbr n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bbr n ASP 194 N 0.00 0.62 -4.52 1.61 8.00 -0.94 -3.72 116.55 117.61 1bbr n ASP 194 Ca 0.00 -0.25 -0.38 0.00 0.71 0.00 0.00 54.79 54.88 1bbr n ASP 194 Cb 0.00 0.79 0.05 0.00 -0.02 0.00 0.00 41.12 41.94 1bbr n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bbr n SER 195 N -1.92 -0.43 0.00 -2.24 7.64 -1.26 -2.03 113.62 113.37 1bbr n SER 195 Ca 0.02 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1bbr n SER 195 Cb 0.43 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1bbr n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bbr n GLY 196 N 1.59 2.74 3.63 0.23 0.00 -0.98 0.19 105.19 112.59 1bbr n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1bbr n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bbr s GLY 197 N -1.31 1.61 0.11 -0.02 0.00 -0.86 -3.39 107.32 103.45 1bbr s GLY 197 Ca 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.55 1bbr s GLY 197 CO 0.00 0.61 0.70 2.56 0.00 0.00 0.00 173.10 176.97 1bbr s PRO 198 N -4.71 4.43 -0.33 2.90 0.04 -1.26 -0.70 135.00 135.36 1bbr s PRO 198 Ca 0.66 0.99 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 1bbr s PRO 198 Cb -0.21 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1bbr s PRO 198 CO 0.60 0.54 0.17 0.12 0.04 0.00 0.00 177.00 178.47 1bbr s PHE 199 N -0.91 3.20 0.21 0.56 2.19 0.46 -3.78 117.98 119.90 1bbr s PHE 199 Ca 0.34 -0.68 0.09 0.00 0.33 0.00 0.00 56.93 57.01 1bbr s PHE 199 Cb -0.21 -2.39 -0.05 0.00 -1.31 0.00 0.00 43.02 39.06 1bbr s PHE 199 CO 0.23 -0.51 -0.18 0.14 1.83 0.00 0.00 175.22 176.73 1bbr s VAL 200 N 1.60 2.01 0.04 3.12 -7.23 -0.60 -0.68 120.40 118.66 1bbr s VAL 200 Ca 0.04 -2.14 0.05 0.00 -1.81 0.00 0.00 61.98 58.11 1bbr s VAL 200 Cb -0.18 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 1bbr s VAL 200 CO 0.07 -0.40 -0.14 -0.04 -0.31 0.00 0.00 175.10 174.28 1bbr s MET 201 N -3.22 0.88 -0.26 4.82 -1.94 -0.27 -0.16 119.30 119.14 1bbr s MET 201 Ca 0.22 -0.78 -0.13 0.00 -1.71 0.00 0.00 55.69 53.29 1bbr s MET 201 Cb -0.04 -0.88 -0.04 0.00 2.01 0.00 0.00 34.83 35.88 1bbr s MET 201 CO 0.09 0.21 0.30 0.21 -0.01 0.00 0.00 175.02 175.82 1bbr s LYS 202 N -1.24 4.02 0.06 2.03 2.20 -1.26 -1.73 119.74 123.83 1bbr s LYS 202 Ca 0.00 -0.08 -0.31 0.00 -0.36 0.00 0.00 55.97 55.23 1bbr s LYS 202 Cb -0.08 -3.63 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 1bbr s LYS 202 CO 0.01 -0.18 1.31 0.45 -0.36 0.00 0.00 175.35 176.58 1bbr s SER 203 N 1.52 6.94 0.15 1.43 0.15 0.37 -4.93 113.70 119.34 1bbr s SER 203 Ca 0.12 2.13 0.26 0.00 0.70 0.00 0.00 55.95 59.16 1bbr s SER 203 Cb -0.15 -2.58 0.77 0.00 -1.71 0.00 0.00 66.02 62.35 1bbr s SER 203 CO 0.09 -0.59 1.69 -0.81 1.20 0.00 0.00 173.24 174.82 1bbr n PRO 204 N 4.32 0.22 0.04 5.44 -0.05 -1.26 -3.04 135.00 140.67 1bbr n PRO 204 Ca 0.11 0.15 -0.05 0.00 -0.05 0.00 0.00 63.50 63.66 1bbr n PRO 204 Cb 0.44 -1.73 -0.03 0.00 -0.05 0.00 0.00 33.50 32.14 1bbr n PRO 204 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 1bbr h TYR 204 N 0.00 -0.18 -3.48 0.54 0.05 -1.97 -3.44 116.97 108.49 1bbr h TYR 204 Ca 0.00 -0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.14 1bbr h TYR 204 Cb 0.70 0.06 -0.37 0.00 1.01 0.00 0.00 36.73 38.13 1bbr h TYR 204 CO 0.00 -0.01 -0.81 0.54 -1.05 0.00 0.00 178.16 176.83 1bbr s ASN 204 N -5.38 3.58 0.00 3.88 6.03 -1.25 -5.03 114.94 116.77 1bbr s ASN 204 Ca -0.05 -0.97 0.00 0.00 -1.03 0.00 0.00 52.86 50.81 1bbr s ASN 204 Cb 0.00 -1.31 0.00 0.00 -3.03 0.00 0.00 41.25 36.91 1bbr s ASN 204 CO 0.17 -0.14 0.10 0.59 -2.03 0.00 0.00 177.10 175.79 1bbr n ASN 205 N 4.63 0.00 -4.80 3.54 4.13 -1.17 -4.06 115.26 117.53 1bbr n ASN 205 Ca -0.15 -0.97 -0.30 0.00 1.68 0.00 0.00 54.58 54.84 1bbr n ASN 205 Cb 0.46 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.64 1bbr n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1bbr s ARG 206 N 1.95 2.95 -0.25 3.52 0.52 -1.25 -4.85 118.95 121.53 1bbr s ARG 206 Ca 0.00 -0.70 -0.14 0.00 -0.52 0.00 0.00 55.73 54.37 1bbr s ARG 206 Cb 0.00 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 1bbr s ARG 206 CO 0.00 0.55 0.32 -1.58 0.02 0.00 0.00 175.30 174.62 1bbr s TRP 207 N -1.47 3.29 0.01 -0.53 0.52 -1.26 -0.48 118.94 119.01 1bbr s TRP 207 Ca 0.30 0.40 0.04 0.00 0.02 0.00 0.00 56.10 56.86 1bbr s TRP 207 Cb -0.12 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 1bbr s TRP 207 CO 0.23 -0.11 -0.09 0.71 0.02 0.00 0.00 176.95 177.70 1bbr s TYR 208 N 1.66 2.82 -0.38 -1.98 1.51 -0.70 -1.43 117.35 118.84 1bbr s TYR 208 Ca 0.14 -0.09 -0.18 0.00 -1.01 0.00 0.00 57.07 55.93 1bbr s TYR 208 Cb -0.15 -1.58 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1bbr s TYR 208 CO 0.09 0.34 0.51 -1.14 -1.11 0.00 0.00 175.55 174.24 1bbr s GLN 209 N -1.40 3.45 -0.13 -0.62 0.74 -0.23 -1.12 119.66 120.35 1bbr s GLN 209 Ca 0.16 -0.34 0.19 0.00 0.05 0.00 0.00 55.36 55.43 1bbr s GLN 209 Cb -0.11 -3.87 -0.27 0.00 1.10 0.00 0.00 33.01 29.87 1bbr s GLN 209 CO 0.07 -0.75 0.27 -1.33 -0.55 0.00 0.00 175.29 173.00 1bbr n MET 210 N 5.79 0.67 -4.12 1.67 2.81 0.15 -4.26 117.12 119.84 1bbr n MET 210 Ca -0.05 -0.04 -0.13 0.00 -1.81 0.00 0.00 57.70 55.68 1bbr n MET 210 Cb 0.48 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.38 1bbr n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1bbr s GLY 211 N -5.15 1.32 -0.08 3.03 0.00 -0.63 -1.95 107.32 103.86 1bbr s GLY 211 Ca -0.09 -1.46 0.03 0.00 0.00 0.00 0.00 44.72 43.21 1bbr s GLY 211 CO 0.85 -1.06 -0.18 -0.42 0.00 0.00 0.00 173.10 172.29 1bbr s ILE 212 N -3.65 1.58 0.10 0.90 1.01 -1.09 -0.41 121.20 119.64 1bbr s ILE 212 Ca 0.32 -0.74 -0.33 0.00 0.00 0.00 0.00 60.65 59.89 1bbr s ILE 212 Cb 0.02 -1.39 -0.12 0.00 0.01 0.00 0.00 42.46 40.98 1bbr s ILE 212 CO 0.16 0.45 1.72 0.52 0.00 0.00 0.00 174.94 177.79 1bbr n VAL 213 N 3.62 0.22 0.00 2.92 0.31 0.12 -1.35 118.33 124.16 1bbr n VAL 213 Ca -0.21 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1bbr n VAL 213 Cb 0.52 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1bbr n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1bbr n SER 214 N 4.74 0.00 -3.82 4.52 2.88 -0.29 -2.32 113.62 119.33 1bbr n SER 214 Ca 0.18 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.55 1bbr n SER 214 Cb 0.31 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.68 1bbr n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1bbr s TRP 215 N 0.00 1.55 0.04 0.66 1.48 -0.78 -4.85 118.94 117.04 1bbr s TRP 215 Ca 0.00 -1.48 -0.04 0.00 -1.06 0.00 0.00 56.10 53.53 1bbr s TRP 215 Cb 0.00 -0.74 0.01 0.00 -1.16 0.00 0.00 33.47 31.58 1bbr s TRP 215 CO 0.00 -0.67 0.17 0.41 -4.06 0.00 0.00 176.95 172.80 1bbr n GLY 216 N -0.53 1.30 2.67 3.67 0.00 -1.26 -0.83 105.19 110.21 1bbr n GLY 216 Ca 0.03 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1bbr n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bbr s GLU 217 N -2.01 0.94 2.90 1.61 2.02 -1.26 -5.04 118.70 117.86 1bbr s GLU 217 Ca 0.04 -1.55 0.00 0.00 0.02 0.00 0.00 54.97 53.48 1bbr s GLU 217 Cb -0.01 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.21 1bbr s GLU 217 CO 0.01 -1.11 0.00 0.41 0.02 0.00 0.00 175.26 174.59 1bbr n GLY 219 N 4.09 -0.40 2.82 -1.39 0.00 -1.26 -4.63 105.19 104.42 1bbr n GLY 219 Ca 0.05 -1.08 -0.17 0.00 0.00 0.00 0.00 46.02 44.82 1bbr n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbr n ASP 221 N 5.32 -3.53 -4.78 0.00 2.03 -1.26 -4.65 116.55 109.68 1bbr n ASP 221 Ca -0.05 0.05 -0.37 0.00 0.52 0.00 0.00 54.79 54.93 1bbr n ASP 221 Cb 0.50 -2.60 -0.04 0.00 -0.72 0.00 0.00 41.12 38.26 1bbr n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1bbr s ARG 221 N -4.13 4.20 0.22 -0.67 0.52 -1.26 -4.96 118.95 112.86 1bbr s ARG 221 Ca 0.00 1.62 -0.30 0.00 -0.52 0.00 0.00 55.73 56.53 1bbr s ARG 221 Cb 0.00 -2.66 -0.10 0.00 0.52 0.00 0.00 34.95 32.72 1bbr s ARG 221 CO 0.00 -0.14 1.45 -0.51 0.02 0.00 0.00 175.30 176.12 1bbr s ASP 222 N -1.38 6.67 0.00 0.23 1.01 -1.26 -2.40 116.67 119.54 1bbr s ASP 222 Ca 0.56 2.61 0.00 0.00 0.71 0.00 0.00 52.55 56.42 1bbr s ASP 222 Cb -0.25 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.06 1bbr s ASP 222 CO 0.32 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.60 1bbr n GLY 223 N 2.64 1.74 3.90 0.21 0.00 -1.26 -5.04 105.19 107.38 1bbr n GLY 223 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1bbr n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bbr s LYS 224 N -0.52 3.14 0.01 1.61 -0.14 -1.01 -4.77 119.74 118.07 1bbr s LYS 224 Ca 0.00 -0.94 0.01 0.00 -1.36 0.00 0.00 55.97 53.68 1bbr s LYS 224 Cb 0.00 -2.71 -0.01 0.00 -1.68 0.00 0.00 37.83 33.43 1bbr s LYS 224 CO 0.00 0.37 -0.04 0.71 -0.76 0.00 0.00 175.35 175.63 1bbr s TYR 225 N -2.08 0.35 0.57 3.18 2.02 -1.26 -4.77 117.35 115.36 1bbr s TYR 225 Ca 0.35 -0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.69 1bbr s TYR 225 Cb -0.08 -0.22 -0.06 0.00 -0.40 0.00 0.00 41.96 41.20 1bbr s TYR 225 CO 0.27 -0.05 1.01 0.20 -1.57 0.00 0.00 175.55 175.41 1bbr s GLY 226 N -0.60 1.89 -0.11 0.71 0.00 -1.02 -4.72 107.32 103.46 1bbr s GLY 226 Ca -0.04 0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.79 1bbr s GLY 226 CO -0.00 0.37 -0.17 -1.36 0.00 0.00 0.00 173.10 171.93 1bbr s PHE 227 N -2.85 2.70 -0.03 1.90 0.40 -0.01 -1.83 117.98 118.26 1bbr s PHE 227 Ca 0.58 -0.75 0.06 0.00 -0.60 0.00 0.00 56.93 56.22 1bbr s PHE 227 Cb -0.11 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 1bbr s PHE 227 CO 0.42 -0.26 -0.22 0.71 0.70 0.00 0.00 175.22 176.57 1bbr s TYR 228 N 0.26 2.46 0.18 0.36 1.51 -0.82 -1.14 117.35 120.16 1bbr s TYR 228 Ca -0.12 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.26 1bbr s TYR 228 Cb -0.16 -1.55 -0.09 0.00 -0.11 0.00 0.00 41.96 40.04 1bbr s TYR 228 CO 0.06 0.02 1.46 0.99 -1.11 0.00 0.00 175.55 176.98 1bbr s THR 229 N -0.61 2.85 -0.94 -0.71 2.01 -0.46 -2.01 115.64 115.77 1bbr s THR 229 Ca 0.09 0.65 -0.23 0.00 0.31 0.00 0.00 61.69 62.51 1bbr s THR 229 Cb -0.10 -3.41 0.06 0.00 0.01 0.00 0.00 72.50 69.05 1bbr s THR 229 CO -0.00 0.07 1.33 -2.28 -0.69 0.00 0.00 174.62 173.05 1bbr s HIS 230 N 0.69 2.61 0.13 4.92 2.46 0.11 -2.66 115.29 123.55 1bbr s HIS 230 Ca 0.64 -0.81 -0.20 0.00 0.47 0.00 0.00 55.06 55.17 1bbr s HIS 230 Cb -0.41 -4.58 -0.03 0.00 -0.13 0.00 0.00 32.58 27.42 1bbr s HIS 230 CO 0.35 -1.86 1.73 0.28 -2.47 0.00 0.00 174.74 172.78 1bbr h VAL 231 N 6.45 0.90 -0.10 0.89 2.07 -1.69 -2.54 116.25 122.22 1bbr h VAL 231 Ca 0.09 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1bbr h VAL 231 Cb 1.02 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1bbr h VAL 231 CO 1.33 0.02 0.08 0.15 0.02 0.00 0.00 177.57 179.17 1bbr h PHE 232 N 0.11 0.00 0.00 1.57 3.57 -1.85 -1.26 116.94 119.08 1bbr h PHE 232 Ca 0.09 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1bbr h PHE 232 Cb 0.09 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 1bbr h PHE 232 CO -0.15 0.00 -0.07 0.00 -2.23 0.00 0.00 178.31 175.87 1bbr h ARG 233 N 0.00 0.00 -0.07 1.11 3.08 -1.84 -3.07 114.38 113.59 1bbr h ARG 233 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1bbr h ARG 233 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1bbr h ARG 233 CO -0.00 0.07 0.00 1.28 -1.07 0.00 0.00 179.97 180.25 1bbr n LEU 234 N -3.12 2.65 0.11 3.04 4.77 -0.55 -4.59 117.00 119.31 1bbr n LEU 234 Ca 0.04 -0.93 0.17 0.00 -0.03 0.00 0.00 56.01 55.26 1bbr n LEU 234 Cb 0.55 -0.03 0.72 0.00 -2.33 0.00 0.00 43.42 42.33 1bbr n LEU 234 CO 0.35 0.46 1.15 0.50 -1.33 0.00 0.00 177.39 178.52 1bbr h LYS 235 N 4.03 0.00 -0.04 3.23 3.64 -1.26 -1.15 116.57 125.01 1bbr h LYS 235 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1bbr h LYS 235 Cb 0.86 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1bbr h LYS 235 CO 0.00 0.00 -0.64 0.87 -2.27 0.00 0.00 179.45 177.41 1bbr h LYS 236 N 0.00 0.16 -0.24 1.90 1.57 -1.83 -1.56 116.57 116.57 1bbr h LYS 236 Ca 0.15 -0.12 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 1bbr h LYS 236 Cb 0.68 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1bbr h LYS 236 CO -0.00 0.74 -0.53 2.35 -0.57 0.00 0.00 179.45 181.44 1bbr h TRP 237 N 0.12 0.87 0.01 -1.35 7.01 -1.56 0.63 115.95 121.67 1bbr h TRP 237 Ca -0.01 -0.30 -0.00 0.00 2.11 0.00 0.00 58.89 60.69 1bbr h TRP 237 Cb 1.15 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.04 1bbr h TRP 237 CO 0.02 1.07 -0.00 0.82 -2.79 0.00 0.00 178.44 177.56 1bbr h ILE 238 N 0.54 1.06 -0.35 2.65 2.04 -1.11 -2.29 117.51 120.05 1bbr h ILE 238 Ca 0.02 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.58 1bbr h ILE 238 Cb 1.10 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1bbr h ILE 238 CO 0.11 0.05 -0.24 0.06 0.00 0.00 0.00 178.15 178.13 1bbr h GLN 239 N -0.09 0.69 -0.78 2.37 3.07 -1.29 -2.00 115.11 117.08 1bbr h GLN 239 Ca -0.00 -0.27 0.06 0.00 0.09 0.00 0.00 58.65 58.52 1bbr h GLN 239 Cb 0.09 -0.03 -0.05 0.00 0.08 0.00 0.00 27.48 27.57 1bbr h GLN 239 CO 0.00 0.86 0.51 -0.22 0.09 0.00 0.00 178.83 180.07 1bbr h LYS 240 N 0.60 0.83 0.17 0.06 3.64 -0.58 -1.62 116.57 119.67 1bbr h LYS 240 Ca 0.08 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 59.11 1bbr h LYS 240 Cb 0.72 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1bbr h LYS 240 CO 0.06 0.55 -1.43 -0.39 -2.27 0.00 0.00 179.45 175.97 1bbr h VAL 241 N 0.85 1.31 0.00 2.00 -1.51 -1.13 -0.10 116.25 117.66 1bbr h VAL 241 Ca 0.33 -2.85 -0.14 0.00 -1.23 0.00 0.00 66.70 62.81 1bbr h VAL 241 Cb 0.21 2.92 -0.02 0.00 -2.13 0.00 0.00 31.29 32.27 1bbr h VAL 241 CO -0.11 0.85 -0.69 0.40 -1.23 0.00 0.00 177.57 176.79 1bbr h ILE 242 N 0.10 1.48 0.00 7.19 2.04 -1.08 -3.13 117.51 124.10 1bbr h ILE 242 Ca -0.21 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.27 1bbr h ILE 242 Cb 2.06 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 40.43 1bbr h ILE 242 CO 0.21 0.68 -0.95 0.47 0.00 0.00 0.00 178.15 178.56 1bbr n ASP 243 N -3.69 0.63 -0.19 1.72 8.00 -0.64 -4.94 116.55 117.43 1bbr n ASP 243 Ca -0.01 -0.20 -0.03 0.00 0.71 0.00 0.00 54.79 55.26 1bbr n ASP 243 Cb 0.68 0.70 -0.01 0.00 -0.02 0.00 0.00 41.12 42.47 1bbr n ASP 243 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bbr n ARG 244 N -1.94 -0.34 0.00 -1.24 1.74 -1.12 -4.76 116.66 109.01 1bbr n ARG 244 Ca 0.02 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1bbr n ARG 244 Cb 0.43 -3.95 0.00 0.00 -1.02 0.00 0.00 32.46 27.92 1bbr n ARG 244 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bbr n LEU 245 N -0.29 0.00 0.00 0.55 7.94 -0.07 -4.96 117.00 120.17 1bbr n LEU 245 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1bbr n LEU 245 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 1bbr n LEU 245 CO 0.04 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 1bbr n GLY 246 N 0.00 1.00 0.00 -3.96 0.00 -1.26 -4.95 105.19 96.02 1bbr n GLY 246 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bbr n GLY 246 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76