#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbr s ILE 10 N 0.00 5.01 0.37 0.55 1.01 -1.26 -4.84 121.20 122.04 1sbr s ILE 10 Ca 0.00 1.45 -0.14 0.00 0.00 0.00 0.00 60.65 61.96 1sbr s ILE 10 Cb 0.00 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 1sbr s ILE 10 CO 0.00 0.18 0.78 0.00 0.00 0.00 0.00 174.94 175.90 1sbr s ALA 11 N 1.24 3.29 0.06 9.38 0.00 0.37 -4.31 121.76 131.80 1sbr s ALA 11 Ca 0.36 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1sbr s ALA 11 Cb -0.17 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1sbr s ALA 11 CO 0.16 0.16 -0.10 0.20 0.00 0.00 0.00 175.76 176.18 1sbr s GLY 12 N -2.62 0.69 -0.15 0.00 0.00 0.17 -1.31 107.32 104.11 1sbr s GLY 12 Ca 0.54 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 1sbr s GLY 12 CO 0.23 -0.98 0.09 -0.12 0.00 0.00 0.00 173.10 172.31 1sbr s PHE 13 N -1.60 0.16 -0.29 1.90 5.36 -0.22 0.30 117.98 123.59 1sbr s PHE 13 Ca -0.04 -0.19 -0.10 0.00 -0.96 0.00 0.00 56.93 55.64 1sbr s PHE 13 Cb -0.08 -0.65 -0.03 0.00 -0.34 0.00 0.00 43.02 41.93 1sbr s PHE 13 CO 0.01 -0.45 0.15 0.50 -1.46 0.00 0.00 175.22 173.96 1sbr s ARG 14 N 2.15 3.62 0.16 10.12 3.52 -0.16 -0.35 118.95 138.01 1sbr s ARG 14 Ca 0.03 -0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 55.07 1sbr s ARG 14 Cb -0.15 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 1sbr s ARG 14 CO -0.08 -0.28 0.13 -0.59 -0.81 0.00 0.00 175.30 173.67 1sbr s PHE 15 N 1.67 0.84 -0.00 5.12 -0.12 -0.06 -0.66 117.98 124.76 1sbr s PHE 15 Ca 0.06 -1.17 0.03 0.00 -0.05 0.00 0.00 56.93 55.80 1sbr s PHE 15 Cb -0.16 -0.40 -0.01 0.00 -0.63 0.00 0.00 43.02 41.82 1sbr s PHE 15 CO 0.07 -0.61 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.43 1sbr s SER 16 N -3.06 1.02 -0.12 1.98 0.01 0.29 -0.90 113.70 112.91 1sbr s SER 16 Ca 0.27 -0.18 -0.05 0.00 1.31 0.00 0.00 55.95 57.30 1sbr s SER 16 Cb 0.06 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 1sbr s SER 16 CO 0.05 0.09 0.08 -0.76 0.41 0.00 0.00 173.24 173.11 1sbr s LEU 17 N -0.27 4.02 -0.45 2.44 1.43 -1.26 -1.87 118.68 122.72 1sbr s LEU 17 Ca 0.03 0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1sbr s LEU 17 Cb -0.04 -1.97 0.13 0.00 0.03 0.00 0.00 46.19 44.34 1sbr s LEU 17 CO -0.00 0.36 0.21 -0.31 0.23 0.00 0.00 176.35 176.84 1sbr s TYR 18 N -0.74 2.69 0.00 0.29 4.12 -0.65 -4.95 117.35 118.10 1sbr s TYR 18 Ca 0.13 -2.76 0.00 0.00 0.02 0.00 0.00 57.07 54.45 1sbr s TYR 18 Cb -0.12 -2.40 0.00 0.00 -1.52 0.00 0.00 41.96 37.92 1sbr s TYR 18 CO 0.03 -0.79 0.00 -0.35 0.02 0.00 0.00 175.55 174.45 1sbr n PRO 19 N 3.54 3.07 0.00 -1.71 -0.05 -1.26 -2.19 135.00 136.40 1sbr n PRO 19 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.51 1sbr n PRO 19 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.80 1sbr n PRO 19 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 1sbr n THR 21 N 0.00 0.00 0.04 0.52 5.66 -1.26 -4.59 114.28 114.65 1sbr n THR 21 Ca 0.00 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.18 1sbr n THR 21 Cb 0.00 0.00 0.69 0.00 -1.55 0.00 0.00 70.33 69.47 1sbr n THR 21 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1sbr h ASP 22 N 0.00 0.00 -0.03 1.09 5.19 -2.05 -2.32 116.42 118.30 1sbr h ASP 22 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1sbr h ASP 22 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1sbr h ASP 22 CO 0.00 0.00 0.02 -0.67 -3.12 0.00 0.00 179.24 175.47 1sbr n ASP 23 N -4.38 2.89 -0.15 6.45 2.03 -1.26 -4.56 116.55 117.57 1sbr n ASP 23 Ca 0.08 -2.04 -0.08 0.00 0.52 0.00 0.00 54.79 53.26 1sbr n ASP 23 Cb 0.53 -0.51 0.01 0.00 -0.72 0.00 0.00 41.12 40.42 1sbr n ASP 23 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1sbr h PHE 24 N 0.03 0.59 -0.64 -0.67 -5.15 -1.67 -3.05 116.94 106.39 1sbr h PHE 24 Ca 0.02 -0.01 0.11 0.00 -0.20 0.00 0.00 57.97 57.89 1sbr h PHE 24 Cb 1.02 -0.19 -0.08 0.00 0.22 0.00 0.00 35.95 36.91 1sbr h PHE 24 CO 0.04 0.43 0.20 0.82 -2.00 0.00 0.00 178.31 177.80 1sbr h ILE 25 N 0.58 0.68 -0.25 0.88 1.08 -1.89 -1.83 117.51 116.78 1sbr h ILE 25 Ca 0.16 -0.12 -0.18 0.00 -0.39 0.00 0.00 64.86 64.33 1sbr h ILE 25 Cb 0.02 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 1sbr h ILE 25 CO -0.03 0.06 -0.56 0.77 -0.69 0.00 0.00 178.15 177.71 1sbr h SER 26 N 0.35 0.91 0.05 1.72 4.64 -1.92 -1.06 113.55 118.24 1sbr h SER 26 Ca 0.34 -0.56 0.02 0.00 -0.47 0.00 0.00 61.79 61.12 1sbr h SER 26 Cb 0.48 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1sbr h SER 26 CO -0.37 1.30 -0.15 0.58 -0.87 0.00 0.00 176.83 177.32 1sbr h VAL 27 N 0.57 0.65 0.21 0.95 2.07 -1.37 0.37 116.25 119.69 1sbr h VAL 27 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sbr h VAL 27 Cb 1.17 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1sbr h VAL 27 CO 0.12 0.00 -0.40 0.40 0.02 0.00 0.00 177.57 177.71 1sbr h ILE 28 N -0.27 0.19 -0.82 4.57 2.04 -1.31 0.26 117.51 122.16 1sbr h ILE 28 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1sbr h ILE 28 Cb 0.31 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 1sbr h ILE 28 CO -0.11 0.00 0.54 0.50 0.00 0.00 0.00 178.15 179.08 1sbr h LYS 29 N -0.69 0.88 0.19 2.37 3.64 -0.83 -2.41 116.57 119.71 1sbr h LYS 29 Ca 0.00 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.01 1sbr h LYS 29 Cb 0.68 -0.20 0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1sbr h LYS 29 CO -0.18 0.58 -1.48 1.03 -2.27 0.00 0.00 179.45 177.13 1sbr h SER 30 N 0.90 0.62 -0.32 4.20 0.87 0.12 -2.16 113.55 117.78 1sbr h SER 30 Ca 0.35 -0.73 0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1sbr h SER 30 Cb 0.23 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1sbr h SER 30 CO -0.13 1.59 0.15 0.00 -0.53 0.00 0.00 176.83 177.91 1sbr h ALA 31 N 0.32 0.38 -0.52 6.23 0.00 -0.60 -0.47 119.26 124.60 1sbr h ALA 31 Ca -0.24 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1sbr h ALA 31 Cb 2.08 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.81 1sbr h ALA 31 CO 0.22 -0.24 0.33 -0.07 0.00 0.00 0.00 179.25 179.50 1sbr h LEU 32 N 0.31 0.56 -0.59 0.00 3.38 -1.41 -2.90 115.31 114.66 1sbr h LEU 32 Ca 0.13 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 1sbr h LEU 32 Cb 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1sbr h LEU 32 CO -0.10 0.40 -0.69 0.00 0.09 0.00 0.00 178.44 178.14 1sbr h ALA 33 N 1.21 0.81 0.00 1.53 0.00 -1.29 -3.13 119.26 118.38 1sbr h ALA 33 Ca 0.20 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 1sbr h ALA 33 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1sbr h ALA 33 CO -0.06 0.83 -0.49 0.00 0.00 0.00 0.00 179.25 179.52 1sbr h ALA 34 N 1.23 1.17 -2.66 0.00 0.00 -0.89 -3.45 119.26 114.66 1sbr h ALA 34 Ca -0.01 -0.45 -0.50 0.00 0.00 0.00 0.00 54.91 53.95 1sbr h ALA 34 Cb 1.22 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.98 1sbr h ALA 34 CO 0.10 0.62 0.47 0.99 0.00 0.00 0.00 179.25 181.43 1sbr s THR 35 N -3.88 3.29 -0.58 0.00 2.01 -1.12 -4.98 115.64 110.39 1sbr s THR 35 Ca -0.02 1.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.71 1sbr s THR 35 Cb 0.13 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 69.12 1sbr s THR 35 CO 0.74 0.03 1.45 -0.62 -0.69 0.00 0.00 174.62 175.53 1sbr s ASP 36 N -1.34 6.05 -0.12 3.53 -1.08 -1.26 -4.83 116.67 117.63 1sbr s ASP 36 Ca 0.60 0.25 0.16 0.00 -0.52 0.00 0.00 52.55 53.03 1sbr s ASP 36 Cb -0.28 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.21 1sbr s ASP 36 CO 0.34 -1.78 1.49 0.35 0.52 0.00 0.00 175.17 176.09 1sbr n THR 37 N 6.86 1.90 0.38 1.71 -2.24 -1.26 -4.63 114.28 116.99 1sbr n THR 37 Ca 0.12 -1.41 0.13 0.00 -2.27 0.00 0.00 64.05 60.62 1sbr n THR 37 Cb 0.49 0.04 0.52 0.00 -2.10 0.00 0.00 70.33 69.29 1sbr n THR 37 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1sbr h SER 38 N 2.83 0.00 -0.33 3.42 4.64 -2.01 -3.10 113.55 119.00 1sbr h SER 38 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sbr h SER 38 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1sbr h SER 38 CO 0.20 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.45 1sbr n LYS 39 N -2.36 2.32 -4.19 4.77 4.76 -1.26 -4.92 118.16 117.28 1sbr n LYS 39 Ca 0.02 -2.13 -0.17 0.00 -2.87 0.00 0.00 58.31 53.16 1sbr n LYS 39 Cb 0.24 -1.45 -0.12 0.00 -1.84 0.00 0.00 35.03 31.85 1sbr n LYS 39 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1sbr s VAL 40 N -1.39 0.97 -0.09 -0.18 -7.23 -1.17 -4.68 120.40 106.63 1sbr s VAL 40 Ca 0.34 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 1sbr s VAL 40 Cb 0.20 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 1sbr s VAL 40 CO 0.28 -0.20 0.96 0.86 -0.31 0.00 0.00 175.10 176.70 1sbr s TRP 41 N -1.17 3.53 0.12 2.82 -0.00 0.16 -4.79 118.94 119.61 1sbr s TRP 41 Ca -0.03 1.56 0.10 0.00 -0.00 0.00 0.00 56.10 57.72 1sbr s TRP 41 Cb -0.09 -3.13 -0.04 0.00 -0.00 0.00 0.00 33.47 30.21 1sbr s TRP 41 CO 0.02 -0.17 -0.24 0.95 -0.00 0.00 0.00 176.95 177.51 1sbr s THR 42 N 1.77 2.00 -0.20 5.86 -4.23 -1.26 -0.41 115.64 119.17 1sbr s THR 42 Ca 0.47 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1sbr s THR 42 Cb -0.19 -1.79 0.10 0.00 1.34 0.00 0.00 72.50 71.96 1sbr s THR 42 CO 0.19 0.03 0.25 -0.75 -0.54 0.00 0.00 174.62 173.80 1sbr s LYS 43 N -1.97 0.21 0.02 3.99 2.20 -0.71 -4.97 119.74 118.51 1sbr s LYS 43 Ca 0.10 0.35 -0.20 0.00 -0.36 0.00 0.00 55.97 55.86 1sbr s LYS 43 Cb -0.10 -0.89 -0.06 0.00 -1.51 0.00 0.00 37.83 35.27 1sbr s LYS 43 CO 0.05 -0.59 0.60 0.99 -0.36 0.00 0.00 175.35 176.04 1sbr s THR 44 N 2.38 4.84 0.16 3.43 2.01 -1.26 -1.28 115.64 125.91 1sbr s THR 44 Ca 0.07 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.36 1sbr s THR 44 Cb -0.15 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1sbr s THR 44 CO -0.12 0.45 0.08 -0.90 -0.69 0.00 0.00 174.62 173.45 1sbr n ASP 45 N 2.44 0.54 0.27 3.53 5.68 0.07 -4.99 116.55 124.08 1sbr n ASP 45 Ca -0.08 -1.90 0.13 0.00 -0.50 0.00 0.00 54.79 52.45 1sbr n ASP 45 Cb 0.51 0.53 0.74 0.00 -1.14 0.00 0.00 41.12 41.75 1sbr n ASP 45 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1sbr h HIS 46 N 1.34 0.00 0.00 2.11 2.07 -2.04 -3.23 115.15 115.40 1sbr h HIS 46 Ca -0.12 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.09 1sbr h HIS 46 Cb 0.50 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.42 1sbr h HIS 46 CO 0.00 0.11 -2.16 -0.89 -3.07 0.00 0.00 177.93 171.92 1sbr n ILE 47 N -3.60 1.17 -3.58 6.12 5.41 -1.26 -5.09 119.36 118.53 1sbr n ILE 47 Ca -0.02 -0.62 -0.08 0.00 1.00 0.00 0.00 62.75 63.04 1sbr n ILE 47 Cb 0.24 -0.81 -0.02 0.00 -0.71 0.00 0.00 39.64 38.34 1sbr n ILE 47 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1sbr s SER 48 N -5.41 -0.35 0.06 4.38 1.04 -1.22 -4.73 113.70 107.47 1sbr s SER 48 Ca -0.16 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.20 1sbr s SER 48 Cb 0.06 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1sbr s SER 48 CO 0.61 -0.82 -0.16 -0.89 0.98 0.00 0.00 173.24 172.97 1sbr s THR 49 N -3.35 2.95 -0.06 2.02 2.01 -0.08 -0.75 115.64 118.38 1sbr s THR 49 Ca 0.06 -1.21 0.05 0.00 0.31 0.00 0.00 61.69 60.90 1sbr s THR 49 Cb -0.01 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.21 1sbr s THR 49 CO -0.06 0.27 -0.20 0.54 -0.69 0.00 0.00 174.62 174.48 1sbr s VAL 50 N -1.00 1.70 -0.11 3.82 0.11 -0.41 -0.88 120.40 123.63 1sbr s VAL 50 Ca 0.16 -0.85 -0.02 0.00 -2.93 0.00 0.00 61.98 58.34 1sbr s VAL 50 Cb -0.11 -1.47 -0.03 0.00 -1.53 0.00 0.00 36.38 33.25 1sbr s VAL 50 CO 0.07 0.48 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.55 1sbr s LEU 51 N 0.11 3.47 -0.02 2.54 1.43 0.52 -1.73 118.68 125.00 1sbr s LEU 51 Ca -0.08 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1sbr s LEU 51 Cb -0.14 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.28 1sbr s LEU 51 CO 0.04 0.31 -0.07 -0.13 0.23 0.00 0.00 176.35 176.73 1sbr s ARG 52 N -0.49 0.82 0.00 1.70 0.52 0.45 -1.06 118.95 120.88 1sbr s ARG 52 Ca 0.08 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1sbr s ARG 52 Cb -0.12 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.57 1sbr s ARG 52 CO 0.02 0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.83 1sbr n GLY 53 N 3.35 -0.70 3.87 -3.53 0.00 -0.43 -0.66 105.19 107.08 1sbr n GLY 53 Ca -0.18 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1sbr n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sbr s SER 54 N -4.00 6.24 0.21 1.61 1.04 -1.26 0.14 113.70 117.68 1sbr s SER 54 Ca 0.00 1.43 -0.09 0.00 0.48 0.00 0.00 55.95 57.77 1sbr s SER 54 Cb 0.00 -2.47 0.28 0.00 0.10 0.00 0.00 66.02 63.93 1sbr s SER 54 CO 0.00 -0.86 1.76 0.40 0.98 0.00 0.00 173.24 175.51 1sbr h ILE 55 N -0.25 0.80 -0.47 -1.02 2.04 -1.91 0.26 117.51 116.96 1sbr h ILE 55 Ca -0.44 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1sbr h ILE 55 Cb 1.19 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1sbr h ILE 55 CO 0.62 0.08 0.16 0.44 0.00 0.00 0.00 178.15 179.46 1sbr h ASP 56 N 0.46 0.16 -0.05 1.72 3.45 -1.94 -0.40 116.42 119.82 1sbr h ASP 56 Ca 0.31 0.06 -0.15 0.00 0.43 0.00 0.00 57.03 57.68 1sbr h ASP 56 Cb 0.36 0.05 0.01 0.00 -0.56 0.00 0.00 39.33 39.18 1sbr h ASP 56 CO -0.28 0.12 -0.54 0.45 -1.57 0.00 0.00 179.24 177.42 1sbr h HIS 57 N 0.33 0.64 0.41 4.55 3.86 -1.77 0.22 115.15 123.40 1sbr h HIS 57 Ca 0.23 -0.31 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1sbr h HIS 57 Cb 0.24 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1sbr h HIS 57 CO -0.16 1.10 -0.21 0.28 0.86 0.00 0.00 177.93 179.80 1sbr h VAL 58 N -0.00 0.57 -0.52 2.45 2.07 -0.90 -0.06 116.25 119.86 1sbr h VAL 58 Ca -0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1sbr h VAL 58 Cb 1.21 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1sbr h VAL 58 CO 0.11 0.00 0.11 -0.26 0.02 0.00 0.00 177.57 177.55 1sbr h PHE 59 N -0.57 0.89 -0.58 1.57 -1.00 -1.07 -0.20 116.94 115.98 1sbr h PHE 59 Ca -0.05 -0.11 0.08 0.00 2.81 0.00 0.00 57.97 60.69 1sbr h PHE 59 Cb 0.45 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.70 1sbr h PHE 59 CO -0.06 0.79 0.23 0.22 -1.61 0.00 0.00 178.31 177.88 1sbr h ASP 60 N 0.73 0.26 -0.15 2.17 3.58 -0.53 -1.02 116.42 121.46 1sbr h ASP 60 Ca 0.16 0.06 -0.22 0.00 0.42 0.00 0.00 57.03 57.46 1sbr h ASP 60 Cb 0.36 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.45 1sbr h ASP 60 CO 0.00 0.16 -0.75 0.00 -2.88 0.00 0.00 179.24 175.78 1sbr h ALA 61 N 1.38 0.34 -0.16 -0.78 0.00 -0.77 -2.50 119.26 116.77 1sbr h ALA 61 Ca 0.28 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1sbr h ALA 61 Cb 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1sbr h ALA 61 CO -0.27 0.69 -0.23 0.00 0.00 0.00 0.00 179.25 179.44 1sbr h ALA 62 N 0.59 -0.17 -0.56 0.00 0.00 -0.77 0.33 119.26 118.67 1sbr h ALA 62 Ca -0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sbr h ALA 62 Cb 1.38 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 1sbr h ALA 62 CO 0.16 -0.68 0.34 -0.22 0.00 0.00 0.00 179.25 178.85 1sbr h LYS 63 N -0.27 0.75 0.67 0.00 3.64 -1.21 -1.55 116.57 118.60 1sbr h LYS 63 Ca 0.11 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1sbr h LYS 63 Cb 0.44 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1sbr h LYS 63 CO -0.32 0.54 -0.47 0.00 -2.27 0.00 0.00 179.45 176.93 1sbr h ALA 64 N 1.17 -1.15 -0.94 5.00 0.00 -0.96 -0.25 119.26 122.13 1sbr h ALA 64 Ca 0.20 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.08 1sbr h ALA 64 Cb -0.02 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 1sbr h ALA 64 CO -0.04 -1.17 0.52 0.82 0.00 0.00 0.00 179.25 179.39 1sbr h ILE 65 N -1.08 0.65 -0.53 0.00 2.04 -0.93 0.13 117.51 117.79 1sbr h ILE 65 Ca -0.08 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1sbr h ILE 65 Cb 0.89 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1sbr h ILE 65 CO 0.05 0.12 0.15 0.22 0.00 0.00 0.00 178.15 178.68 1sbr h TYR 66 N 0.64 0.87 -0.19 1.37 3.20 -0.62 -1.92 116.97 120.32 1sbr h TYR 66 Ca 0.55 -0.10 -0.18 0.00 3.14 0.00 0.00 58.73 62.15 1sbr h TYR 66 Cb 0.91 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1sbr h TYR 66 CO -0.05 0.76 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.56 1sbr h LEU 67 N 0.74 0.72 0.41 2.82 3.38 0.81 -0.53 115.31 123.65 1sbr h LEU 67 Ca 0.17 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1sbr h LEU 67 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1sbr h LEU 67 CO -0.00 1.15 -0.19 0.45 0.09 0.00 0.00 178.44 179.94 1sbr h HIS 68 N 0.48 -0.50 -0.41 1.13 3.86 -0.82 -1.75 115.15 117.14 1sbr h HIS 68 Ca -0.00 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1sbr h HIS 68 Cb 1.17 0.17 -0.09 0.00 1.06 0.00 0.00 27.41 29.72 1sbr h HIS 68 CO 0.06 -0.27 -0.25 0.00 0.86 0.00 0.00 177.93 178.33 1sbr h ALA 69 N -0.07 0.00 -0.60 2.45 0.00 -1.28 -1.54 119.26 118.23 1sbr h ALA 69 Ca -0.06 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1sbr h ALA 69 Cb 0.47 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1sbr h ALA 69 CO 0.09 -0.62 0.40 0.00 0.00 0.00 0.00 179.25 179.12 1sbr h ALA 70 N 1.01 1.77 -0.00 0.00 0.00 -1.07 -2.26 119.26 118.72 1sbr h ALA 70 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sbr h ALA 70 Cb 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sbr h ALA 70 CO -0.51 0.14 -0.07 0.09 0.00 0.00 0.00 179.25 178.90 1sbr n ASN 71 N -4.47 0.14 0.26 0.00 3.02 -0.62 -1.85 115.26 111.75 1sbr n ASN 71 Ca 0.08 -0.02 0.15 0.00 -0.03 0.00 0.00 54.58 54.76 1sbr n ASN 71 Cb 0.20 -0.27 0.80 0.00 -0.61 0.00 0.00 39.78 39.90 1sbr n ASN 71 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1sbr h SER 72 N 0.11 0.00 0.00 6.41 4.64 -0.99 -3.46 113.55 120.26 1sbr h SER 72 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sbr h SER 72 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1sbr h SER 72 CO 0.00 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.12 1sbr n GLU 73 N -2.64 0.00 -1.61 4.77 0.00 -0.77 -5.01 120.64 115.38 1sbr n GLU 73 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.83 1sbr n GLU 73 Cb 0.20 -2.11 0.05 0.00 0.00 0.00 0.00 31.44 29.57 1sbr n GLU 73 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1sbr s GLN 74 N -0.03 2.99 -0.42 3.44 -1.52 -1.26 -4.96 119.66 117.91 1sbr s GLN 74 Ca 0.00 0.96 -0.29 0.00 -1.95 0.00 0.00 55.36 54.08 1sbr s GLN 74 Cb 0.00 -2.00 0.01 0.00 -0.22 0.00 0.00 33.01 30.80 1sbr s GLN 74 CO 0.00 -1.06 1.45 -1.58 -0.25 0.00 0.00 175.29 173.85 1sbr s HIS 75 N -3.02 2.33 0.14 0.91 5.65 -1.26 -4.62 115.29 115.43 1sbr s HIS 75 Ca 0.58 0.66 0.11 0.00 0.25 0.00 0.00 55.06 56.66 1sbr s HIS 75 Cb -0.14 -4.30 -0.04 0.00 -1.18 0.00 0.00 32.58 26.92 1sbr s HIS 75 CO 0.54 -2.07 -0.25 0.96 -0.65 0.00 0.00 174.74 173.27 1sbr s ILE 76 N 5.64 2.36 0.00 0.89 -5.25 -1.03 -4.46 121.20 119.35 1sbr s ILE 76 Ca 0.62 -1.76 0.00 0.00 -0.99 0.00 0.00 60.65 58.52 1sbr s ILE 76 Cb -0.14 -2.06 0.00 0.00 2.95 0.00 0.00 42.46 43.21 1sbr s ILE 76 CO 0.32 0.06 0.00 0.52 -1.79 0.00 0.00 174.94 174.06 1sbr n VAL 77 N 0.80 0.00 0.00 8.37 0.31 -0.93 -0.26 118.33 126.62 1sbr n VAL 77 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1sbr n VAL 77 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1sbr n VAL 77 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1sbr n ASN 79 N 0.00 0.00 -2.45 4.52 4.05 -0.78 -1.64 115.26 118.95 1sbr n ASN 79 Ca 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.00 1sbr n ASN 79 Cb 0.00 0.00 0.02 0.00 1.23 0.00 0.00 39.78 41.03 1sbr n ASN 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sbr n GLY 80 N 0.00 0.98 2.99 8.20 0.00 -0.44 -0.55 105.19 116.38 1sbr n GLY 80 Ca 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 1sbr n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sbr s THR 81 N -2.28 1.31 0.08 2.61 2.01 0.17 -1.01 115.64 118.52 1sbr s THR 81 Ca 0.14 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.45 1sbr s THR 81 Cb -0.02 -1.24 -0.07 0.00 0.01 0.00 0.00 72.50 71.18 1sbr s THR 81 CO 0.05 0.41 0.58 -0.36 -0.69 0.00 0.00 174.62 174.61 1sbr s PHE 82 N 1.30 3.81 -0.02 4.92 0.40 -1.26 -0.98 117.98 126.15 1sbr s PHE 82 Ca -0.01 1.28 -0.03 0.00 -0.60 0.00 0.00 56.93 57.57 1sbr s PHE 82 Cb -0.14 -2.50 0.00 0.00 0.51 0.00 0.00 43.02 40.89 1sbr s PHE 82 CO -0.05 0.58 0.08 0.45 0.70 0.00 0.00 175.22 176.98 1sbr s SER 83 N -1.12 -0.04 -0.11 1.36 0.15 0.15 -4.28 113.70 109.79 1sbr s SER 83 Ca 0.29 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.90 1sbr s SER 83 Cb -0.20 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1sbr s SER 83 CO 0.19 -0.08 0.32 -0.51 1.20 0.00 0.00 173.24 174.36 1sbr s ILE 84 N -0.23 0.00 0.00 6.45 2.07 -0.80 0.45 121.20 129.15 1sbr s ILE 84 Ca -0.03 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 1sbr s ILE 84 Cb -0.02 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 42.10 1sbr s ILE 84 CO 0.00 -0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 1sbr n GLY 85 N 2.80 0.75 3.62 1.50 0.00 -1.25 -1.24 105.19 111.36 1sbr n GLY 85 Ca -0.13 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.40 1sbr n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbr s PRO 87 N 0.25 3.61 7.07 0.00 0.02 -1.26 -4.14 135.00 140.55 1sbr s PRO 87 Ca 0.78 2.23 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1sbr s PRO 87 Cb -0.83 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.15 1sbr s PRO 87 CO 0.46 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 1sbr n GLY 88 N 0.63 1.54 1.91 0.52 0.00 -1.26 -5.02 105.19 103.51 1sbr n GLY 88 Ca 0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 1sbr n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sbr n ASP 89 N 7.80 -3.52 -4.36 1.61 4.64 -1.26 -4.92 116.55 116.54 1sbr n ASP 89 Ca 0.00 0.86 -0.45 0.00 -1.38 0.00 0.00 54.79 53.83 1sbr n ASP 89 Cb 0.00 -3.29 -0.02 0.00 -1.04 0.00 0.00 41.12 36.78 1sbr n ASP 89 CO 0.00 0.00 0.00 1.07 -0.82 0.00 0.00 177.20 177.45 1sbr n THR 90 N 0.95 1.35 1.78 5.18 5.66 -1.26 -4.84 114.28 123.11 1sbr n THR 90 Ca -0.12 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.53 1sbr n THR 90 Cb 0.18 -0.05 0.87 0.00 -1.55 0.00 0.00 70.33 69.79 1sbr n THR 90 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sbr n GLN 91 N 1.13 0.80 -2.88 1.09 1.13 -1.26 -4.48 117.38 112.90 1sbr n GLN 91 Ca 0.14 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.08 1sbr n GLN 91 Cb 0.33 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.20 1sbr n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sbr n GLY 92 N 1.05 1.04 2.66 1.08 0.00 -1.26 -4.77 105.19 104.99 1sbr n GLY 92 Ca 0.20 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1sbr n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sbr n ASP 93 N 1.26 3.38 -3.89 1.61 9.92 -1.26 -5.10 116.55 122.48 1sbr n ASP 93 Ca 0.12 -3.46 -0.09 0.00 -0.53 0.00 0.00 54.79 50.84 1sbr n ASP 93 Cb 0.62 -0.59 -0.08 0.00 -0.64 0.00 0.00 41.12 40.43 1sbr n ASP 93 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1sbr s THR 94 N -3.58 0.15 -0.24 -3.53 2.01 -1.26 -4.69 115.64 104.50 1sbr s THR 94 Ca 0.45 -1.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.11 1sbr s THR 94 Cb 0.27 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1sbr s THR 94 CO -0.11 -0.70 0.09 -0.47 -0.69 0.00 0.00 174.62 172.75 1sbr s TYR 95 N -3.86 3.14 -0.20 4.92 6.14 -1.25 -4.78 117.35 121.47 1sbr s TYR 95 Ca 0.05 -0.22 -0.09 0.00 0.64 0.00 0.00 57.07 57.45 1sbr s TYR 95 Cb 0.05 -2.22 -0.05 0.00 0.42 0.00 0.00 41.96 40.16 1sbr s TYR 95 CO -0.11 -0.21 0.10 -0.48 0.64 0.00 0.00 175.55 175.50 1sbr s LEU 96 N 1.35 4.03 0.29 6.97 2.34 -1.26 -4.53 118.68 127.87 1sbr s LEU 96 Ca 0.05 0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.40 1sbr s LEU 96 Cb -0.15 -2.04 0.00 0.00 -0.56 0.00 0.00 46.19 43.45 1sbr s LEU 96 CO 0.04 0.17 0.00 -0.24 -1.06 0.00 0.00 176.35 175.26 1sbr n SER 97 N 3.60 -7.34 0.00 1.48 2.88 -1.26 -5.17 113.62 107.81 1sbr n SER 97 Ca -0.16 1.31 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1sbr n SER 97 Cb 0.52 -4.37 0.00 0.00 -0.75 0.00 0.00 64.21 59.61 1sbr n SER 97 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1sbr n ASP 100 N 0.66 0.41 -4.76 -3.46 9.92 -1.26 -5.14 116.55 112.91 1sbr n ASP 100 Ca 0.00 -0.29 -0.40 0.00 -0.53 0.00 0.00 54.79 53.57 1sbr n ASP 100 Cb 0.00 0.67 -0.06 0.00 -0.64 0.00 0.00 41.12 41.09 1sbr n ASP 100 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1sbr s LYS 101 N -0.75 4.52 -1.32 -1.24 2.20 -1.26 -4.95 119.74 116.94 1sbr s LYS 101 Ca 0.00 1.10 -0.17 0.00 -0.36 0.00 0.00 55.97 56.54 1sbr s LYS 101 Cb 0.00 -3.30 0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1sbr s LYS 101 CO 0.00 0.45 1.94 0.54 -0.36 0.00 0.00 175.35 177.93 1sbr n ARG 102 N 2.11 2.87 0.27 4.03 1.74 -1.26 -4.83 116.66 121.59 1sbr n ARG 102 Ca -0.05 -2.89 0.18 0.00 -0.77 0.00 0.00 57.85 54.32 1sbr n ARG 102 Cb 0.49 -3.41 0.91 0.00 -1.02 0.00 0.00 32.46 29.44 1sbr n ARG 102 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1sbr h VAL 103 N 4.98 0.20 0.00 1.55 -1.51 -1.94 -1.51 116.25 118.01 1sbr h VAL 103 Ca 0.48 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.88 1sbr h VAL 103 Cb 0.78 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1sbr h VAL 103 CO 1.63 0.00 -0.76 0.78 -1.23 0.00 0.00 177.57 177.99 1sbr h ASN 104 N 0.00 0.00 -0.98 4.19 2.35 -1.87 -3.40 115.58 115.87 1sbr h ASN 104 Ca 0.05 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.95 1sbr h ASN 104 Cb 0.47 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.68 1sbr h ASN 104 CO -0.00 0.25 -0.38 1.21 -1.65 0.00 0.00 177.43 176.86 1sbr n GLU 105 N -2.95 -0.23 0.21 0.81 2.13 -0.57 -2.23 120.64 117.81 1sbr n GLU 105 Ca -0.01 1.51 -0.14 0.00 0.66 0.00 0.00 57.16 59.18 1sbr n GLU 105 Cb 0.66 -2.24 -0.08 0.00 0.27 0.00 0.00 31.44 30.04 1sbr n GLU 105 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1sbr h ASP 106 N 0.00 -0.43 0.00 4.31 3.32 -1.80 -3.03 116.42 118.79 1sbr h ASP 106 Ca 0.34 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1sbr h ASP 106 Cb 0.59 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1sbr h ASP 106 CO -0.97 -0.16 0.23 0.00 -1.72 0.00 0.00 179.24 176.62 1sbr h ALA 107 N -0.15 1.18 0.00 3.45 0.00 -1.71 -3.10 119.26 118.93 1sbr h ALA 107 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sbr h ALA 107 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sbr h ALA 107 CO 0.08 -0.18 -0.23 1.33 0.00 0.00 0.00 179.25 180.25 1sbr n VAL 108 N -2.38 0.90 0.47 0.00 0.24 -1.10 -4.76 118.33 111.70 1sbr n VAL 108 Ca -0.01 -1.08 0.12 0.00 -2.04 0.00 0.00 64.34 61.33 1sbr n VAL 108 Cb 0.26 0.18 0.20 0.00 -1.47 0.00 0.00 33.84 33.01 1sbr n VAL 108 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1sbr h ARG 109 N 0.00 0.00 -0.01 7.34 0.11 -1.45 -3.07 114.38 117.30 1sbr h ARG 109 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1sbr h ARG 109 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1sbr h ARG 109 CO 0.00 0.00 -0.27 0.41 0.10 0.00 0.00 179.97 180.21 1sbr n GLY 110 N 1.28 -0.77 3.77 0.08 0.00 -1.26 -4.88 105.19 103.41 1sbr n GLY 110 Ca 0.03 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1sbr n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sbr s LEU 111 N -2.58 4.37 0.26 0.99 1.43 -1.16 -5.09 118.68 116.89 1sbr s LEU 111 Ca 0.23 0.92 0.05 0.00 -1.03 0.00 0.00 54.13 54.29 1sbr s LEU 111 Cb 0.19 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 1sbr s LEU 111 CO 0.54 0.13 -0.03 -0.54 0.23 0.00 0.00 176.35 176.68 1sbr s LYS 112 N -0.08 1.46 -0.18 1.70 1.02 -1.26 -5.01 119.74 117.39 1sbr s LYS 112 Ca 0.26 -1.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.20 1sbr s LYS 112 Cb -0.16 -0.89 0.14 0.00 -0.52 0.00 0.00 37.83 36.40 1sbr s LYS 112 CO 0.12 -0.04 1.07 0.00 -0.92 0.00 0.00 175.35 175.58 1sbr s ALA 113 N -3.22 -1.97 0.05 5.17 0.00 -1.26 -4.84 121.76 115.70 1sbr s ALA 113 Ca 0.29 1.62 -0.22 0.00 0.00 0.00 0.00 51.96 53.66 1sbr s ALA 113 Cb 0.05 -0.80 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 1sbr s ALA 113 CO 0.11 -0.32 0.66 -1.83 0.00 0.00 0.00 175.76 174.37 1sbr s GLU 114 N -1.21 4.37 -0.50 0.00 -1.05 -1.26 0.40 118.70 119.45 1sbr s GLU 114 Ca 0.01 0.88 0.08 0.00 -0.15 0.00 0.00 54.97 55.79 1sbr s GLU 114 Cb -0.01 -3.31 0.30 0.00 -0.44 0.00 0.00 34.13 30.67 1sbr s GLU 114 CO -0.01 0.44 0.75 0.00 0.95 0.00 0.00 175.26 177.39 1sbr n ALA 115 N 2.33 3.36 -1.78 -0.84 0.00 0.41 -4.35 120.51 119.65 1sbr n ALA 115 Ca -0.06 -4.11 -0.41 0.00 0.00 0.00 0.00 53.44 48.86 1sbr n ALA 115 Cb 0.50 -0.84 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 1sbr n ALA 115 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sbr s PRO 116 N -2.43 4.09 -0.15 0.00 0.04 -1.24 -4.32 135.00 130.99 1sbr s PRO 116 Ca 0.41 2.54 -0.15 0.00 0.04 0.00 0.00 61.00 63.85 1sbr s PRO 116 Cb 0.24 -2.95 0.04 0.00 0.04 0.00 0.00 34.50 31.86 1sbr s PRO 116 CO -0.08 -0.53 0.42 0.00 0.04 0.00 0.00 177.00 176.84 1sbr s GLN 118 N 0.08 3.07 0.05 0.00 -0.21 -0.88 0.48 119.66 122.26 1sbr s GLN 118 Ca -0.01 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.51 1sbr s GLN 118 Cb -0.03 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.53 1sbr s GLN 118 CO 0.01 0.08 -0.03 -0.59 -2.12 0.00 0.00 175.29 172.64 1sbr s PHE 119 N 0.60 0.53 -0.03 0.91 -0.00 -0.34 -1.44 117.98 118.22 1sbr s PHE 119 Ca -0.12 -1.06 -0.01 0.00 -0.00 0.00 0.00 56.93 55.75 1sbr s PHE 119 Cb -0.17 -0.39 0.03 0.00 -0.00 0.00 0.00 43.02 42.49 1sbr s PHE 119 CO 0.03 -0.37 0.06 0.00 -0.00 0.00 0.00 175.22 174.94 1sbr s ALA 120 N -3.88 -0.00 -0.24 1.99 0.00 -0.17 -0.84 121.76 118.62 1sbr s ALA 120 Ca 0.07 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.31 1sbr s ALA 120 Cb 0.08 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1sbr s ALA 120 CO -0.10 -0.12 0.16 -1.17 0.00 0.00 0.00 175.76 174.54 1sbr s LEU 121 N 1.05 4.11 -0.54 0.00 2.96 -1.26 -0.87 118.68 124.13 1sbr s LEU 121 Ca -0.09 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1sbr s LEU 121 Cb -0.12 -2.10 0.14 0.00 0.50 0.00 0.00 46.19 44.60 1sbr s LEU 121 CO -0.04 0.07 0.29 -0.31 -1.32 0.00 0.00 176.35 175.04 1sbr s TYR 122 N 1.05 3.09 0.93 5.38 1.51 0.14 -4.93 117.35 124.51 1sbr s TYR 122 Ca 0.07 -3.11 -0.12 0.00 -1.01 0.00 0.00 57.07 52.90 1sbr s TYR 122 Cb -0.13 -2.68 0.15 0.00 -0.11 0.00 0.00 41.96 39.18 1sbr s TYR 122 CO 0.04 -0.72 1.12 -2.14 -1.11 0.00 0.00 175.55 172.75 1sbr s PRO 123 N -0.39 1.01 0.00 -1.71 0.02 -1.26 -0.98 135.00 131.68 1sbr s PRO 123 Ca 0.18 0.36 0.00 0.00 0.02 0.00 0.00 61.00 61.56 1sbr s PRO 123 Cb -0.22 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1sbr s PRO 123 CO -0.03 -2.30 0.00 -1.71 -0.33 0.00 0.00 177.00 172.63 1sbr n ASN 125 N -3.85 0.00 -3.36 2.53 5.15 -1.26 -4.87 115.26 109.59 1sbr n ASN 125 Ca 0.06 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.88 1sbr n ASN 125 Cb 0.59 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.76 1sbr n ASN 125 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1sbr s GLU 126 N -1.10 0.55 0.56 1.20 2.56 -1.26 -4.98 118.70 116.22 1sbr s GLU 126 Ca 0.00 -0.59 0.29 0.00 0.00 0.00 0.00 54.97 54.66 1sbr s GLU 126 Cb 0.00 -0.66 1.47 0.00 2.00 0.00 0.00 34.13 36.94 1sbr s GLU 126 CO 0.00 -1.14 1.93 -1.35 -0.56 0.00 0.00 175.26 174.14 1sbr h PRO 127 N 7.45 0.00 -1.02 4.30 0.11 -2.04 -2.55 132.00 138.25 1sbr h PRO 127 Ca -0.01 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.43 1sbr h PRO 127 Cb 1.07 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.88 1sbr h PRO 127 CO 0.24 0.00 0.74 -3.47 -0.21 0.00 0.00 178.00 175.30 1sbr n ASP 128 N -4.03 7.47 -1.53 -2.05 4.64 -1.26 -4.96 116.55 114.82 1sbr n ASP 128 Ca 0.11 -3.79 0.00 0.00 -1.38 0.00 0.00 54.79 49.73 1sbr n ASP 128 Cb 0.70 -0.93 0.00 0.00 -1.04 0.00 0.00 41.12 39.86 1sbr n ASP 128 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1sbr n TYR 129 N -0.89 0.00 0.00 -0.67 0.18 -0.96 -2.05 117.16 112.77 1sbr n TYR 129 Ca 0.61 -0.71 0.00 0.00 1.88 0.00 0.00 57.90 59.68 1sbr n TYR 129 Cb 0.67 -0.41 0.00 0.00 -0.38 0.00 0.00 39.34 39.22 1sbr n TYR 129 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1sbr n GLY 131 N 1.48 0.00 0.20 -7.48 0.00 -1.26 -0.85 105.19 97.28 1sbr n GLY 131 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1sbr n GLY 131 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sbr h LEU 132 N 0.00 0.34 -1.63 0.99 3.38 -1.85 0.69 115.31 117.22 1sbr h LEU 132 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sbr h LEU 132 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1sbr h LEU 132 CO 0.00 0.23 0.00 -0.38 0.09 0.00 0.00 178.44 178.38 1sbr n ILE 133 N -4.90 0.18 0.00 1.22 5.41 -0.03 -1.02 119.36 120.21 1sbr n ILE 133 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1sbr n ILE 133 Cb 0.14 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 1sbr n ILE 133 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1sbr n GLU 135 N 0.68 0.00 -0.03 0.38 1.02 0.24 -1.59 120.64 121.33 1sbr n GLU 135 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1sbr n GLU 135 Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.50 1sbr n GLU 135 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sbr h ALA 136 N 0.00 0.22 -0.61 0.62 0.00 -1.33 -1.58 119.26 116.59 1sbr h ALA 136 Ca 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1sbr h ALA 136 Cb 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 1sbr h ALA 136 CO 0.00 -0.32 0.21 0.28 0.00 0.00 0.00 179.25 179.43 1sbr h VAL 137 N 0.22 0.75 -0.61 0.00 2.07 -1.59 -2.69 116.25 114.39 1sbr h VAL 137 Ca 0.07 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1sbr h VAL 137 Cb -0.00 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 1sbr h VAL 137 CO -0.03 0.07 0.35 0.44 0.02 0.00 0.00 177.57 178.41 1sbr h ASP 138 N 0.38 0.53 -0.29 0.57 3.32 -1.59 -0.28 116.42 119.06 1sbr h ASP 138 Ca 0.31 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1sbr h ASP 138 Cb 0.40 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1sbr h ASP 138 CO -0.32 0.35 0.19 0.40 -1.72 0.00 0.00 179.24 178.14 1sbr h ILE 139 N 0.66 1.07 -0.44 0.35 2.04 -1.20 0.88 117.51 120.86 1sbr h ILE 139 Ca 0.27 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1sbr h ILE 139 Cb 0.12 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1sbr h ILE 139 CO -0.15 0.07 0.29 0.00 0.00 0.00 0.00 178.15 178.36 1sbr h ALA 140 N 1.11 0.56 0.48 1.87 0.00 -1.12 0.63 119.26 122.78 1sbr h ALA 140 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1sbr h ALA 140 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1sbr h ALA 140 CO -0.03 0.00 -0.33 0.87 0.00 0.00 0.00 179.25 179.76 1sbr h LYS 141 N 0.59 -0.76 -0.82 0.00 1.57 -0.82 -1.32 116.57 115.01 1sbr h LYS 141 Ca 0.16 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.16 1sbr h LYS 141 Cb -0.06 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 32.32 1sbr h LYS 141 CO -0.04 -0.51 0.36 0.00 -0.57 0.00 0.00 179.45 178.70 1sbr h ALA 142 N -0.36 1.23 0.00 3.86 0.00 0.13 -1.06 119.26 123.06 1sbr h ALA 142 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1sbr h ALA 142 Cb 0.66 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1sbr h ALA 142 CO 0.03 -0.21 0.00 1.96 0.00 0.00 0.00 179.25 181.02 1sbr h GLN 143 N 0.48 0.00 0.00 0.00 4.20 0.50 -3.47 115.11 116.82 1sbr h GLN 143 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1sbr h GLN 143 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1sbr h GLN 143 CO -0.43 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.14 1sbr n GLY 144 N 0.42 0.73 0.06 3.46 0.00 -0.40 -4.95 105.19 104.51 1sbr n GLY 144 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1sbr n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sbr n THR 145 N -2.47 0.29 -2.16 2.61 -2.24 -0.81 -4.95 114.28 104.56 1sbr n THR 145 Ca 0.00 -0.43 -0.41 0.00 -2.27 0.00 0.00 64.05 60.93 1sbr n THR 145 Cb 0.00 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1sbr n THR 145 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1sbr s PHE 146 N -3.35 3.19 -0.08 4.78 5.36 -1.06 -0.86 117.98 125.95 1sbr s PHE 146 Ca -0.01 1.18 -0.08 0.00 -0.96 0.00 0.00 56.93 57.06 1sbr s PHE 146 Cb 0.12 -3.66 -0.04 0.00 -0.34 0.00 0.00 43.02 39.10 1sbr s PHE 146 CO 0.83 -2.09 -0.17 0.28 -1.46 0.00 0.00 175.22 172.61 1sbr n VAL 147 N 2.46 1.09 -3.64 3.12 0.31 0.92 -4.88 118.33 117.71 1sbr n VAL 147 Ca 0.06 0.07 -0.04 0.00 -0.01 0.00 0.00 64.34 64.42 1sbr n VAL 147 Cb 0.42 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.50 1sbr n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sbr s GLN 148 N -2.35 0.88 0.01 5.55 -2.07 -1.18 -5.01 119.66 115.49 1sbr s GLN 148 Ca -0.16 -0.44 -0.13 0.00 -1.82 0.00 0.00 55.36 52.82 1sbr s GLN 148 Cb 0.04 0.33 -0.06 0.00 -1.09 0.00 0.00 33.01 32.24 1sbr s GLN 148 CO 0.22 -0.40 0.38 0.20 -1.32 0.00 0.00 175.29 174.37 1sbr s GLY 149 N -2.75 2.41 0.40 2.60 0.00 -1.26 0.67 107.32 109.39 1sbr s GLY 149 Ca 0.10 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.55 1sbr s GLY 149 CO -0.03 0.00 0.08 -1.34 0.00 0.00 0.00 173.10 171.81 1sbr s VAL 150 N -1.17 0.98 0.00 1.40 -7.23 -0.73 -4.93 120.40 108.73 1sbr s VAL 150 Ca 0.25 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.10 1sbr s VAL 150 Cb -0.15 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.18 1sbr s VAL 150 CO 0.14 0.00 1.91 1.41 -0.31 0.00 0.00 175.10 178.25 1sbr n HIS 151 N -0.91 2.45 -0.97 2.82 8.25 -1.26 -2.87 115.22 122.73 1sbr n HIS 151 Ca -0.07 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 1sbr n HIS 151 Cb 0.66 -2.73 0.00 0.00 1.12 0.00 0.00 29.99 29.04 1sbr n HIS 151 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sbr n TYR 152 N 6.82 0.00 -3.81 4.41 0.53 -1.26 -4.96 117.16 118.89 1sbr n TYR 152 Ca 0.21 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 57.04 1sbr n TYR 152 Cb 0.35 -0.24 -0.01 0.00 -1.03 0.00 0.00 39.34 38.42 1sbr n TYR 152 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1sbr s ALA 153 N -2.64 -1.42 -0.02 -0.72 0.00 -1.14 -4.75 121.76 111.07 1sbr s ALA 153 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 51.88 1sbr s ALA 153 Cb 0.00 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 1sbr s ALA 153 CO 0.00 -1.04 -0.24 -1.12 0.00 0.00 0.00 175.76 173.36 1sbr s SER 154 N -3.01 2.80 -0.17 0.00 0.01 -0.02 -1.77 113.70 111.55 1sbr s SER 154 Ca 0.14 -0.43 -0.15 0.00 1.31 0.00 0.00 55.95 56.81 1sbr s SER 154 Cb -0.03 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1sbr s SER 154 CO 0.05 0.29 0.36 -1.61 0.41 0.00 0.00 173.24 172.74 1sbr s GLU 155 N -0.53 4.23 0.22 12.44 2.02 0.21 -1.20 118.70 136.10 1sbr s GLU 155 Ca 0.08 0.18 0.09 0.00 0.02 0.00 0.00 54.97 55.35 1sbr s GLU 155 Cb -0.09 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1sbr s GLU 155 CO -0.01 0.11 -0.05 -0.51 0.02 0.00 0.00 175.26 174.82 1sbr s LEU 156 N 0.86 3.10 0.03 1.80 1.43 0.18 -0.06 118.68 126.02 1sbr s LEU 156 Ca 0.19 -0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 1sbr s LEU 156 Cb -0.14 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.41 1sbr s LEU 156 CO 0.07 0.05 0.35 -0.62 0.23 0.00 0.00 176.35 176.43 1sbr s ASP 157 N -3.25 -0.20 0.00 2.29 2.15 -0.04 0.15 116.67 117.77 1sbr s ASP 157 Ca 0.28 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1sbr s ASP 157 Cb -0.08 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 1sbr s ASP 157 CO 0.18 -0.60 0.00 0.61 -0.17 0.00 0.00 175.17 175.19 1sbr n GLY 158 N 0.71 1.15 3.78 2.66 0.00 -1.26 -4.54 105.19 107.68 1sbr n GLY 158 Ca -0.19 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1sbr n GLY 158 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sbr s ASP 159 N 0.00 5.12 0.29 1.61 2.15 -1.26 -0.44 116.67 124.14 1sbr s ASP 159 Ca 0.00 1.87 0.03 0.00 0.43 0.00 0.00 52.55 54.89 1sbr s ASP 159 Cb 0.00 -2.53 0.72 0.00 -0.30 0.00 0.00 42.92 40.80 1sbr s ASP 159 CO 0.00 -1.62 1.70 0.00 -0.17 0.00 0.00 175.17 175.08 1sbr h ALA 160 N -0.27 1.42 -0.77 3.66 0.00 -0.35 -0.93 119.26 122.02 1sbr h ALA 160 Ca -0.46 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1sbr h ALA 160 Cb 1.23 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1sbr h ALA 160 CO 0.54 -0.33 0.32 0.45 0.00 0.00 0.00 179.25 180.23 1sbr h HIS 161 N 0.40 1.16 0.13 0.00 3.86 -1.92 0.28 115.15 119.05 1sbr h HIS 161 Ca 0.55 -0.08 -0.29 0.00 -1.16 0.00 0.00 60.37 59.40 1sbr h HIS 161 Cb 1.04 -0.35 0.03 0.00 1.06 0.00 0.00 27.41 29.19 1sbr h HIS 161 CO -0.14 0.87 -1.22 -0.44 0.86 0.00 0.00 177.93 177.86 1sbr h ASP 162 N 1.12 0.85 -0.24 2.45 3.32 -1.76 -1.18 116.42 120.98 1sbr h ASP 162 Ca 0.26 -0.84 -0.08 0.00 0.02 0.00 0.00 57.03 56.39 1sbr h ASP 162 Cb 0.19 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1sbr h ASP 162 CO -0.02 1.60 -0.17 0.58 -1.72 0.00 0.00 179.24 179.51 1sbr h VAL 163 N 0.21 1.31 -0.47 -1.35 2.07 -1.02 -1.50 116.25 115.49 1sbr h VAL 163 Ca -0.19 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 65.98 1sbr h VAL 163 Cb 1.90 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 1sbr h VAL 163 CO 0.23 0.40 0.03 -0.26 0.02 0.00 0.00 177.57 177.99 1sbr h PHE 164 N 0.25 0.81 -0.48 1.57 -1.00 -0.53 -0.80 116.94 116.76 1sbr h PHE 164 Ca 0.05 -0.10 0.08 0.00 2.81 0.00 0.00 57.97 60.81 1sbr h PHE 164 Cb 0.70 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 39.97 1sbr h PHE 164 CO 0.07 0.73 0.11 1.03 -1.61 0.00 0.00 178.31 178.64 1sbr h SER 165 N 0.72 0.03 -0.62 2.17 0.87 -1.06 -1.63 113.55 114.04 1sbr h SER 165 Ca 0.15 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1sbr h SER 165 Cb 0.40 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1sbr h SER 165 CO 0.01 0.04 0.26 0.74 -0.53 0.00 0.00 176.83 177.36 1sbr h THR 166 N 0.25 1.22 -0.11 2.23 2.02 -0.21 -1.09 112.91 117.23 1sbr h THR 166 Ca 0.24 -0.70 -0.18 0.00 0.77 0.00 0.00 66.41 66.54 1sbr h THR 166 Cb 0.31 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1sbr h THR 166 CO -0.30 0.28 -0.63 -0.07 0.37 0.00 0.00 175.52 175.17 1sbr h LEU 167 N 0.93 0.74 -0.52 2.58 3.38 -0.93 -1.98 115.31 119.51 1sbr h LEU 167 Ca 0.22 -0.65 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 1sbr h LEU 167 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1sbr h LEU 167 CO -0.02 1.27 -0.04 -0.08 0.09 0.00 0.00 178.44 179.67 1sbr h GLU 168 N 0.26 0.94 -0.52 1.13 4.81 -1.15 -0.75 114.58 119.29 1sbr h GLU 168 Ca -0.05 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1sbr h GLU 168 Cb 1.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1sbr h GLU 168 CO 0.13 0.98 0.19 0.00 -0.73 0.00 0.00 179.01 179.58 1sbr h ALA 169 N 0.93 0.68 -0.35 2.92 0.00 -1.20 0.55 119.26 122.80 1sbr h ALA 169 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sbr h ALA 169 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1sbr h ALA 169 CO 0.03 0.31 0.21 0.28 0.00 0.00 0.00 179.25 180.09 1sbr h VAL 170 N 0.71 1.11 0.24 0.00 2.07 -1.28 -3.16 116.25 115.95 1sbr h VAL 170 Ca 0.17 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1sbr h VAL 170 Cb 0.23 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1sbr h VAL 170 CO -0.01 0.11 -0.12 0.15 0.02 0.00 0.00 177.57 177.72 1sbr h PHE 171 N 0.45 -0.30 0.00 1.57 3.57 -0.56 -1.79 116.94 119.88 1sbr h PHE 171 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1sbr h PHE 171 Cb -0.00 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1sbr h PHE 171 CO -0.04 -0.05 0.00 0.54 -2.23 0.00 0.00 178.31 176.53 1sbr n ARG 172 N -5.15 0.00 0.00 1.11 1.74 0.19 -1.95 116.66 112.61 1sbr n ARG 172 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1sbr n ARG 172 Cb 0.21 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1sbr n ARG 172 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sbr n ALA 174 N 0.67 0.00 0.15 7.54 0.00 -0.67 -1.71 120.51 126.48 1sbr n ALA 174 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1sbr n ALA 174 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1sbr n ALA 174 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1sbr h GLU 175 N 0.00 0.00 0.00 0.00 4.22 -1.60 0.18 114.58 117.38 1sbr h GLU 175 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1sbr h GLU 175 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sbr h GLU 175 CO 0.00 0.49 -0.00 1.96 -2.18 0.00 0.00 179.01 179.27 1sbr h GLN 176 N 0.00 0.00 0.03 1.92 4.20 -1.58 -3.24 115.11 116.44 1sbr h GLN 176 Ca -0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.34 1sbr h GLN 176 Cb 1.26 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.99 1sbr h GLN 176 CO 0.06 0.00 -2.23 1.04 -0.67 0.00 0.00 178.83 177.04 1sbr n GLN 177 N -4.37 0.68 -4.58 1.46 6.02 -0.72 -4.99 117.38 110.89 1sbr n GLN 177 Ca -0.03 0.16 -0.23 0.00 -0.01 0.00 0.00 57.00 56.90 1sbr n GLN 177 Cb 0.09 -1.61 -0.14 0.00 1.02 0.00 0.00 30.24 29.60 1sbr n GLN 177 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1sbr s THR 178 N -2.53 1.26 0.19 5.09 2.01 -0.03 -5.06 115.64 116.57 1sbr s THR 178 Ca -0.21 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 60.81 1sbr s THR 178 Cb 0.08 -1.09 0.11 0.00 0.01 0.00 0.00 72.50 71.60 1sbr s THR 178 CO 0.73 0.20 1.74 0.78 -0.69 0.00 0.00 174.62 177.38 1sbr h ASN 179 N 5.30 0.97 -3.38 3.53 2.35 -1.88 -3.40 115.58 119.08 1sbr h ASN 179 Ca -0.38 -0.19 -0.60 0.00 -0.55 0.00 0.00 56.30 54.58 1sbr h ASN 179 Cb 1.17 -0.25 -0.37 0.00 0.05 0.00 0.00 38.32 38.91 1sbr h ASN 179 CO 0.46 0.90 -0.81 -2.28 -1.65 0.00 0.00 177.43 174.06 1sbr s HIS 180 N -5.47 2.24 0.05 1.19 2.46 -1.26 -3.89 115.29 110.61 1sbr s HIS 180 Ca -0.12 -1.45 0.05 0.00 0.47 0.00 0.00 55.06 54.00 1sbr s HIS 180 Cb 0.14 -1.57 -0.02 0.00 -0.13 0.00 0.00 32.58 31.00 1sbr s HIS 180 CO 0.82 -0.71 -0.13 0.96 -2.47 0.00 0.00 174.74 173.21 1sbr s ILE 181 N 1.45 1.04 0.00 0.89 -4.36 -0.38 -4.65 121.20 115.20 1sbr s ILE 181 Ca -0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 60.65 59.32 1sbr s ILE 181 Cb -0.16 -0.97 0.00 0.00 1.25 0.00 0.00 42.46 42.58 1sbr s ILE 181 CO -0.08 -0.09 0.00 0.41 0.24 0.00 0.00 174.94 175.42 1sbr n THR 182 N 1.73 0.00 -3.80 8.37 -1.04 -0.16 -1.90 114.28 117.48 1sbr n THR 182 Ca -0.19 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.69 1sbr n THR 182 Cb 0.55 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.94 1sbr n THR 182 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1sbr s THR 184 N -0.18 0.01 0.04 12.58 -4.23 -0.05 0.28 115.64 124.08 1sbr s THR 184 Ca 0.00 -0.11 0.05 0.00 -1.18 0.00 0.00 61.69 60.45 1sbr s THR 184 Cb 0.00 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.46 1sbr s THR 184 CO 0.00 -0.06 -0.14 0.68 -0.54 0.00 0.00 174.62 174.56 1sbr s VAL 185 N -0.14 1.08 -0.30 2.29 -7.23 -0.18 -1.00 120.40 114.91 1sbr s VAL 185 Ca -0.03 -0.96 -0.03 0.00 -1.81 0.00 0.00 61.98 59.16 1sbr s VAL 185 Cb -0.03 -0.98 0.10 0.00 0.56 0.00 0.00 36.38 36.04 1sbr s VAL 185 CO 0.01 0.01 0.12 0.21 -0.31 0.00 0.00 175.10 175.13 1sbr s ASN 186 N -1.08 3.74 -0.13 4.85 3.84 -0.52 -1.32 114.94 124.31 1sbr s ASN 186 Ca 0.01 -1.43 -0.00 0.00 0.21 0.00 0.00 52.86 51.65 1sbr s ASN 186 Cb -0.08 -0.57 -0.02 0.00 -0.55 0.00 0.00 41.25 40.04 1sbr s ASN 186 CO 0.01 -0.43 -0.12 -0.76 -2.79 0.00 0.00 177.10 173.01 1sbr s LEU 187 N 1.89 2.80 -0.15 3.21 1.43 -1.26 -2.07 118.68 124.53 1sbr s LEU 187 Ca 0.09 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1sbr s LEU 187 Cb -0.17 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1sbr s LEU 187 CO -0.32 0.18 -0.12 -0.55 0.23 0.00 0.00 176.35 175.77 1sbr s SER 188 N 0.25 3.96 0.12 2.29 0.15 -0.78 -4.21 113.70 115.48 1sbr s SER 188 Ca -0.08 -0.38 0.10 0.00 0.70 0.00 0.00 55.95 56.29 1sbr s SER 188 Cb -0.15 -1.62 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1sbr s SER 188 CO 0.05 0.11 -0.26 0.00 1.20 0.00 0.00 173.24 174.34 1sbr s ALA 189 N 0.67 2.26 -1.42 5.45 0.00 0.64 -3.66 121.76 125.69 1sbr s ALA 189 Ca -0.06 -1.42 -0.07 0.00 0.00 0.00 0.00 51.96 50.41 1sbr s ALA 189 Cb -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1sbr s ALA 189 CO 0.02 0.50 0.94 0.09 0.00 0.00 0.00 175.76 177.32 1sbr n ASN 190 N 0.98 -6.24 -4.84 0.00 3.02 -1.26 -2.46 115.26 104.47 1sbr n ASN 190 Ca -0.18 -0.43 -0.33 0.00 -0.03 0.00 0.00 54.58 53.60 1sbr n ASN 190 Cb 0.53 -4.94 -0.06 0.00 -0.61 0.00 0.00 39.78 34.70 1sbr n ASN 190 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1sbr s SER 191 N -3.07 6.87 0.00 6.41 0.15 -1.26 -4.13 113.70 118.67 1sbr s SER 191 Ca 0.47 1.39 0.00 0.00 0.70 0.00 0.00 55.95 58.51 1sbr s SER 191 Cb -0.21 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1sbr s SER 191 CO 0.58 -0.19 0.41 -2.65 1.20 0.00 0.00 173.24 172.59