#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2old s ALA 3 N 0.00 0.37 -0.41 7.33 0.00 -1.26 -4.92 121.76 122.86 2old s ALA 3 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.34 2old s ALA 3 Cb 0.00 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.02 2old s ALA 3 CO 0.00 -3.33 0.66 -0.51 0.00 0.00 0.00 175.76 172.58 2old s LEU 4 N -6.81 4.39 0.16 0.00 1.02 -0.59 -4.92 118.68 111.93 2old s LEU 4 Ca 0.67 -0.16 -0.34 0.00 0.02 0.00 0.00 54.13 54.32 2old s LEU 4 Cb -0.19 -2.77 -0.14 0.00 0.02 0.00 0.00 46.19 43.11 2old s LEU 4 CO 0.60 -0.74 1.59 -2.65 0.02 0.00 0.00 176.35 175.17 2old n PRO 5 N 6.25 2.19 -4.09 1.29 -0.02 -1.23 -1.78 135.00 137.60 2old n PRO 5 Ca -0.01 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 62.13 2old n PRO 5 Cb 0.48 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 2old n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2old s GLN 6 N 1.00 0.61 0.14 -0.52 -0.21 -1.26 -1.57 119.66 117.85 2old s GLN 6 Ca 0.79 -0.90 -0.32 0.00 0.02 0.00 0.00 55.36 54.95 2old s GLN 6 Cb -0.67 -0.27 -0.11 0.00 1.00 0.00 0.00 33.01 32.96 2old s GLN 6 CO 0.38 0.03 1.79 -2.30 -2.12 0.00 0.00 175.29 173.07 2old n PRO 7 N 1.09 2.73 0.11 2.91 -0.02 -1.26 -4.84 135.00 135.72 2old n PRO 7 Ca -0.20 0.99 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 2old n PRO 7 Cb 0.56 -2.86 0.63 0.00 -0.02 0.00 0.00 33.50 31.81 2old n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2old h ALA 8 N 7.89 2.15 -2.56 3.55 0.00 -1.96 -3.36 119.26 124.97 2old h ALA 8 Ca -0.45 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.49 2old h ALA 8 Cb 1.22 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 2old h ALA 8 CO 0.95 -0.22 0.36 -1.54 0.00 0.00 0.00 179.25 178.80 2old s SER 9 N -6.66 -0.47 0.02 0.00 1.04 -1.26 -1.70 113.70 104.68 2old s SER 9 Ca -0.06 0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 2old s SER 9 Cb 0.18 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.81 2old s SER 9 CO 0.70 -0.77 0.31 -0.69 0.98 0.00 0.00 173.24 173.78 2old s VAL 10 N -3.26 0.07 0.04 5.02 1.01 -0.52 -4.90 120.40 117.87 2old s VAL 10 Ca 0.02 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2old s VAL 10 Cb -0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 2old s VAL 10 CO -0.10 -0.33 -0.11 -0.44 0.00 0.00 0.00 175.10 174.12 2old s SER 11 N -1.81 1.31 0.23 3.32 0.01 -1.26 -1.06 113.70 114.44 2old s SER 11 Ca -0.08 -0.50 -0.00 0.00 1.31 0.00 0.00 55.95 56.69 2old s SER 11 Cb -0.02 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2old s SER 11 CO -0.01 -0.07 0.30 0.61 0.41 0.00 0.00 173.24 174.49 2old n GLY 12 N 1.69 2.60 3.16 3.44 0.00 -0.95 -4.99 105.19 110.15 2old n GLY 12 Ca -0.20 -1.59 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 2old n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2old s SER 13 N -2.48 1.57 0.11 1.61 0.01 -1.26 -1.40 113.70 111.86 2old s SER 13 Ca 0.21 -0.63 -0.35 0.00 1.31 0.00 0.00 55.95 56.49 2old s SER 13 Cb -0.00 -0.04 -0.17 0.00 0.21 0.00 0.00 66.02 66.02 2old s SER 13 CO 0.15 -0.11 1.10 -2.65 0.41 0.00 0.00 173.24 172.14 2old n PRO 14 N 1.23 0.70 0.00 12.44 -0.02 -1.26 -0.29 135.00 147.81 2old n PRO 14 Ca -0.21 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2old n PRO 14 Cb 0.54 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2old n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2old n GLY 15 N 1.97 2.94 2.89 -1.23 0.00 0.29 -4.85 105.19 107.20 2old n GLY 15 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2old n GLY 15 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2old n GLN 16 N -1.06 -2.93 -4.40 1.61 1.13 0.61 -3.47 117.38 108.87 2old n GLN 16 Ca 0.00 -1.43 -0.20 0.00 -1.94 0.00 0.00 57.00 53.43 2old n GLN 16 Cb 0.00 -1.38 -0.15 0.00 0.11 0.00 0.00 30.24 28.82 2old n GLN 16 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2old s SER 17 N -3.87 1.20 0.12 1.08 0.15 -1.26 -0.17 113.70 110.95 2old s SER 17 Ca 0.59 -0.19 0.05 0.00 0.70 0.00 0.00 55.95 57.11 2old s SER 17 Cb -0.06 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.94 2old s SER 17 CO 0.45 0.08 -0.13 0.27 1.20 0.00 0.00 173.24 175.11 2old s ILE 18 N 0.09 1.26 -0.05 6.45 -5.25 0.05 -4.96 121.20 118.78 2old s ILE 18 Ca -0.01 -1.74 0.04 0.00 -0.99 0.00 0.00 60.65 57.95 2old s ILE 18 Cb -0.07 -1.53 0.00 0.00 2.95 0.00 0.00 42.46 43.80 2old s ILE 18 CO 0.00 -0.47 -0.17 -0.89 -1.79 0.00 0.00 174.94 171.63 2old s THR 19 N -2.29 1.43 -0.10 8.37 2.01 -1.26 -0.61 115.64 123.19 2old s THR 19 Ca 0.09 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.42 2old s THR 19 Cb -0.04 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 2old s THR 19 CO 0.02 0.41 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.56 2old s ILE 20 N 0.20 2.66 0.26 1.82 1.01 0.28 -4.95 121.20 122.48 2old s ILE 20 Ca -0.08 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.82 2old s ILE 20 Cb -0.13 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2old s ILE 20 CO 0.03 0.55 0.33 -0.94 0.00 0.00 0.00 174.94 174.91 2old s SER 21 N 0.17 6.03 -0.17 3.58 1.04 -1.26 -0.50 113.70 122.60 2old s SER 21 Ca -0.10 -0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.22 2old s SER 21 Cb -0.16 -1.63 0.06 0.00 0.10 0.00 0.00 66.02 64.39 2old s SER 21 CO 0.06 -0.12 0.08 0.00 0.98 0.00 0.00 173.24 174.24 2old s THR 23 N 2.09 4.90 0.00 0.00 2.01 -0.61 -1.14 115.64 122.89 2old s THR 23 Ca 0.02 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.56 2old s THR 23 Cb -0.16 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2old s THR 23 CO -0.09 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.14 2old n GLY 24 N 4.69 4.88 2.56 4.40 0.00 0.26 -3.58 105.19 118.39 2old n GLY 24 Ca -0.02 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 2old n GLY 24 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2old n THR 25 N 0.00 0.00 0.32 2.61 -2.24 -1.25 -4.80 114.28 108.92 2old n THR 25 Ca 0.00 -1.68 0.10 0.00 -2.27 0.00 0.00 64.05 60.20 2old n THR 25 Cb 0.00 0.91 0.46 0.00 -2.10 0.00 0.00 70.33 69.60 2old n THR 25 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2old n SER 26 N -1.87 0.51 -0.18 3.42 3.41 -1.26 -1.09 113.62 116.56 2old n SER 26 Ca 0.04 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 2old n SER 26 Cb 0.47 -0.75 0.24 0.00 -0.26 0.00 0.00 64.21 63.90 2old n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2old n SER 27 N -2.10 0.98 0.00 4.04 7.64 -1.26 -2.58 113.62 120.35 2old n SER 27 Ca 0.01 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 59.11 2old n SER 27 Cb 0.15 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2old n SER 27 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2old n ASP 28 N -0.92 0.00 -0.31 6.43 5.75 -0.91 -0.84 116.55 125.75 2old n ASP 28 Ca 0.09 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 55.01 2old n ASP 28 Cb 0.36 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.75 2old n ASP 28 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2old h VAL 29 N 0.00 0.19 -0.01 2.12 2.07 -1.79 0.35 116.25 119.18 2old h VAL 29 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2old h VAL 29 Cb 0.00 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 2old h VAL 29 CO 0.00 0.02 -0.15 0.61 0.02 0.00 0.00 177.57 178.07 2old n GLY 30 N -1.41 -0.77 0.01 2.17 0.00 -0.25 -4.02 105.19 100.91 2old n GLY 30 Ca 0.23 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2old n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2old n GLY 31 N 1.29 -0.94 3.37 -0.02 0.00 0.12 -4.80 105.19 104.20 2old n GLY 31 Ca 0.14 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 2old n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2old s TYR 32 N -3.27 0.87 -0.73 1.61 2.02 -0.90 -4.97 117.35 111.97 2old s TYR 32 Ca -0.03 -1.13 0.01 0.00 -0.37 0.00 0.00 57.07 55.55 2old s TYR 32 Cb 0.14 -0.25 0.37 0.00 -0.40 0.00 0.00 41.96 41.82 2old s TYR 32 CO 0.86 -0.81 1.67 -0.25 -1.57 0.00 0.00 175.55 175.45 2old n ASP 33 N -0.42 6.51 -3.06 2.29 10.43 -1.26 -4.74 116.55 126.30 2old n ASP 33 Ca 0.01 -3.78 -0.21 0.00 2.57 0.00 0.00 54.79 53.38 2old n ASP 33 Cb 0.64 -0.87 -0.03 0.00 1.84 0.00 0.00 41.12 42.70 2old n ASP 33 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2old n LEU 34 N -0.46 2.30 -4.67 0.64 4.77 -1.26 -4.06 117.00 114.26 2old n LEU 34 Ca 0.48 -5.21 -0.35 0.00 -0.03 0.00 0.00 56.01 50.89 2old n LEU 34 Cb 0.37 0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 2old n LEU 34 CO 0.45 2.29 -0.26 -0.69 -1.33 0.00 0.00 177.39 177.84 2old s VAL 35 N -3.29 4.72 0.20 4.08 1.01 -1.26 -2.59 120.40 123.27 2old s VAL 35 Ca 0.43 -0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.43 2old s VAL 35 Cb 0.33 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2old s VAL 35 CO -0.10 0.52 -0.18 -0.44 0.00 0.00 0.00 175.10 174.90 2old s SER 36 N -0.09 2.87 0.04 3.32 0.01 -0.59 -0.47 113.70 118.79 2old s SER 36 Ca 0.06 -0.94 0.04 0.00 1.31 0.00 0.00 55.95 56.42 2old s SER 36 Cb -0.12 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 2old s SER 36 CO 0.01 -0.05 -0.13 0.26 0.41 0.00 0.00 173.24 173.74 2old s TRP 37 N -2.39 1.10 0.03 2.43 0.52 0.21 -1.98 118.94 118.87 2old s TRP 37 Ca 0.21 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 56.01 2old s TRP 37 Cb -0.04 -0.65 -0.02 0.00 -1.15 0.00 0.00 33.47 31.61 2old s TRP 37 CO 0.08 0.02 -0.13 0.71 0.02 0.00 0.00 176.95 177.65 2old s TYR 38 N -0.91 1.16 -0.13 -1.98 2.02 0.54 -1.34 117.35 116.71 2old s TYR 38 Ca -0.00 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.33 2old s TYR 38 Cb -0.08 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 2old s TYR 38 CO 0.01 0.02 0.01 -1.14 -1.57 0.00 0.00 175.55 172.88 2old s GLN 39 N -0.97 3.42 -0.19 -0.62 0.74 -0.31 -0.99 119.66 120.74 2old s GLN 39 Ca 0.02 -0.40 -0.04 0.00 0.05 0.00 0.00 55.36 54.98 2old s GLN 39 Cb -0.07 -2.95 0.08 0.00 1.10 0.00 0.00 33.01 31.17 2old s GLN 39 CO 0.01 0.49 0.14 -1.58 -0.55 0.00 0.00 175.29 173.80 2old s HIS 40 N -0.28 0.03 -0.29 1.67 2.46 0.83 -0.15 115.29 119.57 2old s HIS 40 Ca 0.07 -0.18 -0.25 0.00 0.47 0.00 0.00 55.06 55.17 2old s HIS 40 Cb -0.12 -0.59 0.00 0.00 -0.13 0.00 0.00 32.58 31.73 2old s HIS 40 CO 0.02 -0.57 0.86 -1.01 -2.47 0.00 0.00 174.74 171.56 2old s HIS 41 N 2.20 3.23 0.18 3.88 3.76 -1.26 -1.46 115.29 125.82 2old s HIS 41 Ca 0.04 1.00 -0.32 0.00 -0.15 0.00 0.00 55.06 55.63 2old s HIS 41 Cb -0.16 -3.24 -0.15 0.00 1.11 0.00 0.00 32.58 30.14 2old s HIS 41 CO -0.12 -0.54 1.16 -2.30 -0.85 0.00 0.00 174.74 172.08 2old n PRO 42 N 6.25 1.19 0.00 8.40 -0.02 -1.26 -0.15 135.00 149.41 2old n PRO 42 Ca 0.06 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2old n PRO 42 Cb 0.48 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2old n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2old n GLY 43 N 1.97 3.23 2.35 -1.23 0.00 -1.26 -5.02 105.19 105.23 2old n GLY 43 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2old n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2old n GLY 44 N -1.15 2.23 3.86 -0.02 0.00 0.79 -5.11 105.19 105.79 2old n GLY 44 Ca 0.00 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 2old n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2old s ALA 45 N -2.44 3.72 0.67 4.61 0.00 -1.26 -4.78 121.76 122.28 2old s ALA 45 Ca 0.31 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 2old s ALA 45 Cb -0.02 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.81 2old s ALA 45 CO 0.20 0.55 1.27 -2.30 0.00 0.00 0.00 175.76 175.49 2old n PRO 46 N 0.98 0.96 -4.22 0.00 -0.02 -1.26 -4.65 135.00 126.79 2old n PRO 46 Ca -0.08 0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 61.53 2old n PRO 46 Cb 0.52 -2.51 -0.17 0.00 -0.02 0.00 0.00 33.50 31.33 2old n PRO 46 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2old s LYS 47 N -3.48 1.63 -0.14 -0.52 2.20 0.79 -4.96 119.74 115.26 2old s LYS 47 Ca 0.81 -0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 55.79 2old s LYS 47 Cb -0.37 -1.52 -0.03 0.00 -1.51 0.00 0.00 37.83 34.41 2old s LYS 47 CO 0.42 -0.13 1.39 -1.17 -0.36 0.00 0.00 175.35 175.50 2old s LEU 48 N 1.21 4.19 -0.00 5.43 2.96 -1.26 -1.17 118.68 130.04 2old s LEU 48 Ca -0.04 1.82 0.04 0.00 -0.22 0.00 0.00 54.13 55.72 2old s LEU 48 Cb -0.14 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2old s LEU 48 CO -0.03 -0.85 0.13 2.30 -1.32 0.00 0.00 176.35 176.58 2old n ILE 49 N 5.50 0.00 -3.71 6.68 -5.35 -0.45 -4.73 119.36 117.30 2old n ILE 49 Ca 0.15 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.22 2old n ILE 49 Cb 0.44 0.75 -0.09 0.00 -1.74 0.00 0.00 39.64 39.00 2old n ILE 49 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2old s ILE 50 N -1.75 0.00 0.02 7.28 -1.09 -1.15 -4.13 121.20 120.38 2old s ILE 50 Ca 0.00 -0.00 -0.12 0.00 -2.23 0.00 0.00 60.65 58.30 2old s ILE 50 Cb 0.03 -0.66 0.01 0.00 -1.58 0.00 0.00 42.46 40.26 2old s ILE 50 CO 0.16 -0.00 0.26 -0.72 -1.23 0.00 0.00 174.94 173.41 2old s TYR 51 N 0.24 -0.07 -1.28 3.97 -0.85 0.66 -0.62 117.35 119.40 2old s TYR 51 Ca -0.00 -0.02 -0.05 0.00 -0.52 0.00 0.00 57.07 56.48 2old s TYR 51 Cb -0.03 0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.36 2old s TYR 51 CO 0.01 -0.43 1.09 0.39 -1.52 0.00 0.00 175.55 175.08 2old n GLU 52 N 0.88 -7.25 0.00 -3.49 1.02 -0.79 -0.16 120.64 110.84 2old n GLU 52 Ca -0.20 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2old n GLU 52 Cb 0.58 -5.86 0.00 0.00 -0.02 0.00 0.00 31.44 26.14 2old n GLU 52 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2old n VAL 53 N -4.57 0.00 -0.21 2.62 0.31 0.38 -3.82 118.33 113.04 2old n VAL 53 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2old n VAL 53 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 2old n VAL 53 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2old n THR 54 N 0.00 0.00 -2.37 2.52 -2.24 -1.22 -3.32 114.28 107.65 2old n THR 54 Ca 0.00 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 2old n THR 54 Cb 0.00 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 2old n THR 54 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2old s ASN 55 N -0.24 7.02 -0.23 3.42 0.01 0.77 -4.68 114.94 121.00 2old s ASN 55 Ca 0.00 2.05 -0.02 0.00 -0.71 0.00 0.00 52.86 54.17 2old s ASN 55 Cb 0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.10 2old s ASN 55 CO 0.00 -0.53 -0.06 -0.60 -1.51 0.00 0.00 177.10 174.40 2old s ARG 56 N 1.30 3.07 0.43 -0.60 3.52 -1.26 -0.24 118.95 125.17 2old s ARG 56 Ca 0.60 -0.82 -0.24 0.00 -0.13 0.00 0.00 55.73 55.14 2old s ARG 56 Cb -0.30 -2.97 -0.10 0.00 -1.56 0.00 0.00 34.95 30.02 2old s ARG 56 CO 0.28 -0.30 1.02 -2.30 -0.81 0.00 0.00 175.30 173.19 2old n PRO 57 N 4.72 1.37 -1.91 5.12 -0.02 -1.26 -4.87 135.00 138.14 2old n PRO 57 Ca -0.18 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.38 2old n PRO 57 Cb 0.49 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 2old n PRO 57 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2old s SER 58 N -0.75 6.51 0.00 2.55 0.15 -1.26 -1.89 113.70 119.02 2old s SER 58 Ca 0.64 2.86 0.00 0.00 0.70 0.00 0.00 55.95 60.15 2old s SER 58 Cb -0.55 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.12 2old s SER 58 CO 0.56 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2old n GLY 59 N 1.33 0.26 3.64 9.45 0.00 -1.26 -5.05 105.19 113.56 2old n GLY 59 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2old n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2old s VAL 60 N -2.00 5.09 0.19 1.61 1.01 -0.79 -5.05 120.40 120.46 2old s VAL 60 Ca 0.00 0.08 -0.32 0.00 0.00 0.00 0.00 61.98 61.74 2old s VAL 60 Cb 0.00 -3.35 -0.15 0.00 0.00 0.00 0.00 36.38 32.88 2old s VAL 60 CO 0.00 0.39 1.21 -0.24 0.00 0.00 0.00 175.10 176.46 2old n SER 61 N 4.01 1.67 0.00 3.32 2.88 -1.26 -4.85 113.62 119.39 2old n SER 61 Ca -0.16 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.57 2old n SER 61 Cb 0.52 -1.27 0.20 0.00 -0.75 0.00 0.00 64.21 62.91 2old n SER 61 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2old n ASP 62 N 2.01 0.00 0.17 -3.46 5.75 -1.26 -1.65 116.55 118.12 2old n ASP 62 Ca 0.14 0.29 0.13 0.00 -0.01 0.00 0.00 54.79 55.34 2old n ASP 62 Cb 0.27 -0.36 0.58 0.00 -1.03 0.00 0.00 41.12 40.57 2old n ASP 62 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2old h ARG 63 N 0.00 0.00 -5.59 0.11 3.08 -1.89 -3.42 114.38 106.67 2old h ARG 63 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2old h ARG 63 Cb 0.10 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.02 2old h ARG 63 CO 0.00 0.00 -0.56 -0.06 -1.07 0.00 0.00 179.97 178.28 2old s PHE 64 N -3.46 3.30 -0.05 3.04 0.40 -0.66 -1.58 117.98 118.97 2old s PHE 64 Ca 0.02 0.22 -0.22 0.00 -0.60 0.00 0.00 56.93 56.34 2old s PHE 64 Cb 0.09 -1.95 0.05 0.00 0.51 0.00 0.00 43.02 41.72 2old s PHE 64 CO 0.39 0.40 0.50 -1.54 0.70 0.00 0.00 175.22 175.67 2old s SER 65 N -0.38 -0.44 0.29 1.36 1.04 -0.98 -4.97 113.70 109.62 2old s SER 65 Ca 0.09 0.49 0.09 0.00 0.48 0.00 0.00 55.95 57.10 2old s SER 65 Cb -0.12 0.51 -0.06 0.00 0.10 0.00 0.00 66.02 66.45 2old s SER 65 CO 0.02 -0.49 -0.11 -0.83 0.98 0.00 0.00 173.24 172.81 2old s GLY 66 N -1.06 1.92 0.13 7.32 0.00 -1.26 -1.21 107.32 113.16 2old s GLY 66 Ca -0.11 -1.93 -0.25 0.00 0.00 0.00 0.00 44.72 42.43 2old s GLY 66 CO 0.06 -1.92 1.06 -1.35 0.00 0.00 0.00 173.10 170.95 2old s SER 67 N -3.50 -0.07 0.10 1.64 1.04 -0.67 -4.42 113.70 107.83 2old s SER 67 Ca 0.30 -0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.13 2old s SER 67 Cb 0.01 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2old s SER 67 CO 0.13 -0.82 0.29 -1.59 0.98 0.00 0.00 173.24 172.23 2old s LYS 68 N -2.62 0.95 -0.17 4.02 -2.85 -1.26 0.06 119.74 117.87 2old s LYS 68 Ca 0.17 -0.83 -0.06 0.00 -1.00 0.00 0.00 55.97 54.25 2old s LYS 68 Cb -0.01 0.40 0.08 0.00 -2.06 0.00 0.00 37.83 36.24 2old s LYS 68 CO 0.03 -0.34 0.35 0.45 0.10 0.00 0.00 175.35 175.94 2old s SER 69 N -2.81 -0.01 1.84 0.03 0.15 0.51 -4.98 113.70 108.42 2old s SER 69 Ca 0.04 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2old s SER 69 Cb 0.03 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 2old s SER 69 CO -0.11 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2old n GLY 70 N 5.28 3.11 1.83 9.45 0.00 -1.26 -1.76 105.19 121.84 2old n GLY 70 Ca -0.09 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.78 2old n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2old n ASN 71 N 5.42 5.28 -4.08 1.61 3.02 -1.26 -3.96 115.26 121.29 2old n ASN 71 Ca 0.00 -3.04 -0.26 0.00 -0.03 0.00 0.00 54.58 51.25 2old n ASN 71 Cb 0.00 -0.69 -0.16 0.00 -0.61 0.00 0.00 39.78 38.32 2old n ASN 71 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2old s THR 72 N -2.86 1.31 0.18 3.41 2.01 -0.72 0.89 115.64 119.86 2old s THR 72 Ca 0.54 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 62.00 2old s THR 72 Cb 0.42 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 2old s THR 72 CO 0.14 0.39 0.00 0.00 -0.69 0.00 0.00 174.62 174.46 2old s ALA 73 N 0.35 3.21 0.02 7.40 0.00 -0.29 -0.36 121.76 132.08 2old s ALA 73 Ca -0.10 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2old s ALA 73 Cb -0.14 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2old s ALA 73 CO 0.03 0.46 -0.03 -1.12 0.00 0.00 0.00 175.76 175.10 2old s SER 74 N -3.01 0.32 -0.18 0.00 0.01 0.11 -0.07 113.70 110.88 2old s SER 74 Ca 0.28 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2old s SER 74 Cb -0.09 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.22 2old s SER 74 CO 0.19 -0.24 -0.17 -0.22 0.41 0.00 0.00 173.24 173.21 2old s LEU 75 N -1.26 2.29 -0.11 2.44 2.96 0.35 -1.67 118.68 123.68 2old s LEU 75 Ca -0.13 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.20 2old s LEU 75 Cb -0.09 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 2old s LEU 75 CO -0.01 0.02 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.08 2old s THR 76 N 1.17 3.61 -0.15 3.68 2.01 -0.35 -0.55 115.64 125.07 2old s THR 76 Ca 0.02 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.56 2old s THR 76 Cb -0.14 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.86 2old s THR 76 CO -0.08 0.54 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.55 2old s ILE 77 N -0.10 2.01 0.25 1.82 1.01 0.22 -2.31 121.20 124.11 2old s ILE 77 Ca 0.01 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.78 2old s ILE 77 Cb -0.13 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 2old s ILE 77 CO 0.03 0.54 0.31 -0.44 0.00 0.00 0.00 174.94 175.38 2old s SER 78 N 0.96 5.99 -1.38 3.58 0.01 -0.62 -0.77 113.70 121.48 2old s SER 78 Ca -0.04 -0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.05 2old s SER 78 Cb -0.15 -1.63 0.01 0.00 0.21 0.00 0.00 66.02 64.46 2old s SER 78 CO -0.05 -0.10 0.39 0.61 0.41 0.00 0.00 173.24 174.50 2old n GLY 79 N -1.35 -0.42 3.48 3.44 0.00 -0.84 -4.73 105.19 104.78 2old n GLY 79 Ca -0.08 0.24 -0.51 0.00 0.00 0.00 0.00 46.02 45.67 2old n GLY 79 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2old n LEU 80 N -4.57 -0.02 -4.33 0.99 7.94 0.76 -4.34 117.00 113.43 2old n LEU 80 Ca -0.25 1.14 -0.25 0.00 -1.11 0.00 0.00 56.01 55.55 2old n LEU 80 Cb 0.65 -1.03 -0.12 0.00 0.53 0.00 0.00 43.42 43.45 2old n LEU 80 CO 0.77 -2.16 -0.52 -1.10 -1.11 0.00 0.00 177.39 173.27 2old s GLN 81 N -0.58 1.24 0.32 1.96 -0.21 -1.26 -0.55 119.66 120.57 2old s GLN 81 Ca 0.74 -1.28 0.10 0.00 0.02 0.00 0.00 55.36 54.94 2old s GLN 81 Cb -1.00 -1.50 0.90 0.00 1.00 0.00 0.00 33.01 32.41 2old s GLN 81 CO 0.56 0.34 1.73 0.00 -2.12 0.00 0.00 175.29 175.79 2old h ALA 82 N 3.78 1.80 0.00 6.09 0.00 -1.93 0.20 119.26 129.20 2old h ALA 82 Ca -0.46 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2old h ALA 82 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2old h ALA 82 CO 0.43 -0.28 0.00 -0.85 0.00 0.00 0.00 179.25 178.54 2old n GLU 83 N -4.89 0.13 0.00 0.00 0.28 -1.26 -2.19 120.64 112.71 2old n GLU 83 Ca 0.27 0.19 0.14 0.00 -0.16 0.00 0.00 57.16 57.60 2old n GLU 83 Cb 0.76 -1.50 0.60 0.00 1.43 0.00 0.00 31.44 32.73 2old n GLU 83 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2old n ASP 84 N -1.36 0.06 -4.63 -1.84 8.00 0.69 -4.76 116.55 112.71 2old n ASP 84 Ca 0.06 0.33 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 2old n ASP 84 Cb 0.13 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.81 2old n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2old s GLU 85 N -2.94 3.67 0.01 -1.24 2.12 -0.93 -4.83 118.70 114.55 2old s GLU 85 Ca 0.16 1.93 -0.11 0.00 0.36 0.00 0.00 54.97 57.31 2old s GLU 85 Cb 0.19 -4.16 0.04 0.00 0.26 0.00 0.00 34.13 30.46 2old s GLU 85 CO 0.54 -1.47 0.52 0.00 -0.54 0.00 0.00 175.26 174.31 2old n ALA 86 N 9.20 -1.44 -2.88 6.30 0.00 -1.10 -4.92 120.51 125.67 2old n ALA 86 Ca 0.22 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 52.96 2old n ALA 86 Cb 0.44 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 2old n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2old s ASP 87 N -2.16 6.39 -0.03 0.00 1.01 -0.54 -1.08 116.67 120.27 2old s ASP 87 Ca 0.12 0.40 0.04 0.00 0.71 0.00 0.00 52.55 53.82 2old s ASP 87 Cb -0.01 -2.02 -0.00 0.00 1.01 0.00 0.00 42.92 41.90 2old s ASP 87 CO 0.00 0.28 -0.15 -0.31 0.21 0.00 0.00 175.17 175.20 2old s TYR 88 N -1.29 1.45 0.15 4.23 1.51 -0.01 -0.12 117.35 123.27 2old s TYR 88 Ca 0.26 -0.36 0.06 0.00 -1.01 0.00 0.00 57.07 56.01 2old s TYR 88 Cb -0.13 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 2old s TYR 88 CO 0.17 -0.11 -0.13 0.71 -1.11 0.00 0.00 175.55 175.08 2old s TYR 89 N -0.05 1.41 0.30 2.71 1.51 -0.16 -1.32 117.35 121.75 2old s TYR 89 Ca -0.01 -0.63 0.05 0.00 -1.01 0.00 0.00 57.07 55.48 2old s TYR 89 Cb -0.09 -0.71 -0.06 0.00 -0.11 0.00 0.00 41.96 40.99 2old s TYR 89 CO 0.01 0.17 -0.01 0.00 -1.11 0.00 0.00 175.55 174.61 2old s SER 91 N -3.46 -0.37 0.01 0.00 1.04 -0.84 0.56 113.70 110.64 2old s SER 91 Ca 0.32 -0.17 -0.22 0.00 0.48 0.00 0.00 55.95 56.36 2old s SER 91 Cb 0.06 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.75 2old s SER 91 CO 0.13 -0.89 0.50 -0.55 0.98 0.00 0.00 173.24 173.40 2old s SER 92 N -2.72 -0.41 0.57 7.02 0.15 -0.48 -1.54 113.70 116.29 2old s SER 92 Ca 0.06 0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.75 2old s SER 92 Cb -0.02 0.46 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2old s SER 92 CO -0.06 -0.64 1.26 -0.47 1.20 0.00 0.00 173.24 174.54 2old s TYR 93 N -1.98 2.37 0.18 3.44 5.04 -1.07 -1.87 117.35 123.47 2old s TYR 93 Ca -0.08 1.47 0.07 0.00 -2.44 0.00 0.00 57.07 56.10 2old s TYR 93 Cb -0.01 -3.60 -0.04 0.00 0.35 0.00 0.00 41.96 38.65 2old s TYR 93 CO 0.02 -2.45 -0.15 0.00 -1.34 0.00 0.00 175.55 171.63 2old s ALA 94 N -1.47 1.92 -1.43 3.97 0.00 -1.26 -4.47 121.76 119.03 2old s ALA 94 Ca 0.75 -1.57 0.28 0.00 0.00 0.00 0.00 51.96 51.41 2old s ALA 94 Cb -0.34 -0.10 0.98 0.00 0.00 0.00 0.00 23.12 23.66 2old s ALA 94 CO 0.39 0.10 1.72 -1.13 0.00 0.00 0.00 175.76 176.83 2old n SER 95 N -0.13 0.51 -1.32 0.00 3.41 -0.02 -4.85 113.62 111.23 2old n SER 95 Ca -0.10 -0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 2old n SER 95 Cb 0.59 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2old n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2old n GLY 96 N 1.37 0.91 0.13 5.00 0.00 -1.26 -5.01 105.19 106.33 2old n GLY 96 Ca 0.11 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.27 2old n GLY 96 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2old h SER 97 N 0.00 0.08 -2.60 1.61 4.64 -2.03 -3.44 113.55 111.81 2old h SER 97 Ca 0.00 -0.05 -0.55 0.00 -0.47 0.00 0.00 61.79 60.72 2old h SER 97 Cb 0.00 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2old h SER 97 CO 0.00 0.75 1.09 -0.89 -0.87 0.00 0.00 176.83 176.91 2old s THR 98 N -3.45 3.52 0.52 2.95 2.01 -1.26 -4.90 115.64 115.03 2old s THR 98 Ca -0.02 0.65 0.24 0.00 0.31 0.00 0.00 61.69 62.88 2old s THR 98 Cb 0.12 -3.42 0.30 0.00 0.01 0.00 0.00 72.50 69.51 2old s THR 98 CO 0.79 -0.05 2.16 1.55 -0.69 0.00 0.00 174.62 178.37 2old h PRO 99 N 9.53 0.00 -1.78 4.92 0.13 -1.91 -3.36 132.00 139.53 2old h PRO 99 Ca -0.40 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.80 2old h PRO 99 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 2old h PRO 99 CO 0.95 0.05 0.08 0.50 -0.23 0.00 0.00 178.00 179.36 2old s ARG 100 N -4.63 0.55 0.04 0.86 3.52 -1.26 -4.02 118.95 114.01 2old s ARG 100 Ca -0.04 1.11 0.02 0.00 -0.13 0.00 0.00 55.73 56.68 2old s ARG 100 Cb 0.15 0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.86 2old s ARG 100 CO 0.60 -0.14 0.03 0.96 -0.81 0.00 0.00 175.30 175.94 2old s ILE 101 N 2.00 4.31 0.20 4.11 -4.36 -0.78 -4.91 121.20 121.77 2old s ILE 101 Ca -0.08 -0.70 0.07 0.00 -0.26 0.00 0.00 60.65 59.68 2old s ILE 101 Cb -0.07 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 2old s ILE 101 CO -0.18 0.25 0.08 -0.36 0.24 0.00 0.00 174.94 174.97 2old s PHE 102 N -1.23 2.96 0.59 1.37 0.08 -1.26 -1.39 117.98 119.11 2old s PHE 102 Ca 0.24 -0.11 -0.09 0.00 0.12 0.00 0.00 56.93 57.09 2old s PHE 102 Cb -0.12 -1.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 2old s PHE 102 CO 0.16 0.53 0.95 0.20 -0.10 0.00 0.00 175.22 176.96 2old s GLY 103 N -3.28 1.60 0.00 4.36 0.00 0.19 -1.54 107.32 108.66 2old s GLY 103 Ca 0.30 -0.37 0.29 0.00 0.00 0.00 0.00 44.72 44.94 2old s GLY 103 CO 0.21 -0.10 2.05 0.61 0.00 0.00 0.00 173.10 175.87 2old n GLY 104 N -2.64 -0.91 0.00 0.20 0.00 -0.73 -4.66 105.19 96.44 2old n GLY 104 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2old n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2old n GLY 105 N 0.81 -0.44 2.81 -0.02 0.00 -1.26 -4.97 105.19 102.12 2old n GLY 105 Ca 0.21 -1.53 -0.16 0.00 0.00 0.00 0.00 46.02 44.53 2old n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2old s THR 106 N -3.05 -0.14 -0.27 2.61 2.01 -0.43 -4.42 115.64 111.95 2old s THR 106 Ca 0.00 0.31 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 2old s THR 106 Cb 0.00 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 2old s THR 106 CO 0.00 0.13 0.56 -0.60 -0.69 0.00 0.00 174.62 174.02 2old s ARG 107 N 1.80 4.05 -0.34 4.92 3.52 -0.69 -0.83 118.95 131.38 2old s ARG 107 Ca -0.01 0.38 -0.11 0.00 -0.13 0.00 0.00 55.73 55.85 2old s ARG 107 Cb -0.12 -3.66 -0.00 0.00 -1.56 0.00 0.00 34.95 29.60 2old s ARG 107 CO -0.05 -0.40 0.20 -1.17 -0.81 0.00 0.00 175.30 173.07 2old s LEU 108 N 2.40 4.41 -0.15 -0.88 2.96 -0.24 -1.44 118.68 125.75 2old s LEU 108 Ca 0.23 -0.58 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 2old s LEU 108 Cb -0.15 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2old s LEU 108 CO 0.09 -0.25 0.24 -0.89 -1.32 0.00 0.00 176.35 174.22 2old s THR 109 N 1.65 5.34 -0.41 3.68 2.01 -0.22 -2.72 115.64 124.96 2old s THR 109 Ca 0.05 0.43 -0.08 0.00 0.31 0.00 0.00 61.69 62.40 2old s THR 109 Cb -0.18 -3.56 0.08 0.00 0.01 0.00 0.00 72.50 68.85 2old s THR 109 CO 0.08 0.45 0.24 -0.69 -0.69 0.00 0.00 174.62 174.01 2old s VAL 110 N 0.07 4.11 0.00 3.82 1.01 -1.26 -2.23 120.40 125.92 2old s VAL 110 Ca 0.15 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.71 2old s VAL 110 Cb -0.13 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2old s VAL 110 CO 0.03 -0.49 0.00 0.18 0.00 0.00 0.00 175.10 174.83 2old n LEU 111 N 4.88 0.00 0.00 3.92 4.77 -0.49 -4.50 117.00 125.59 2old n LEU 111 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2old n LEU 111 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2old n LEU 111 CO 0.38 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2old n GLY 112 N 5.00 1.56 3.57 -0.72 0.00 -1.26 -4.21 105.19 109.13 2old n GLY 112 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2old n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2old n GLN 113 N -1.46 1.18 -1.36 1.61 6.02 -1.26 -4.81 117.38 117.29 2old n GLN 113 Ca 0.00 0.42 -0.46 0.00 -0.01 0.00 0.00 57.00 56.95 2old n GLN 113 Cb 0.00 -1.79 -0.02 0.00 1.02 0.00 0.00 30.24 29.45 2old n GLN 113 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2old n PRO 114 N 1.05 0.01 -2.31 -1.09 -0.02 -1.26 -4.99 135.00 126.39 2old n PRO 114 Ca 0.12 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 2old n PRO 114 Cb 0.29 -1.01 0.03 0.00 -0.02 0.00 0.00 33.50 32.80 2old n PRO 114 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2old s LYS 115 N -1.01 2.96 -0.29 -0.52 1.02 -1.26 -4.80 119.74 115.84 2old s LYS 115 Ca 0.62 0.10 -0.21 0.00 0.02 0.00 0.00 55.97 56.50 2old s LYS 115 Cb -0.82 -2.23 0.15 0.00 -0.52 0.00 0.00 37.83 34.40 2old s LYS 115 CO 0.58 -0.73 1.08 0.00 -0.92 0.00 0.00 175.35 175.37 2old s ALA 116 N -3.04 -2.18 0.40 5.17 0.00 -0.85 -4.88 121.76 116.39 2old s ALA 116 Ca 0.54 1.99 -0.18 0.00 0.00 0.00 0.00 51.96 54.32 2old s ALA 116 Cb -0.11 -1.63 -0.10 0.00 0.00 0.00 0.00 23.12 21.28 2old s ALA 116 CO 0.46 -0.27 0.87 0.00 0.00 0.00 0.00 175.76 176.83 2old s ALA 117 N 0.72 3.15 0.48 0.00 0.00 -1.26 -1.38 121.76 123.46 2old s ALA 117 Ca -0.02 0.23 -0.20 0.00 0.00 0.00 0.00 51.96 51.97 2old s ALA 117 Cb -0.04 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 2old s ALA 117 CO -0.11 0.16 1.01 -1.25 0.00 0.00 0.00 175.76 175.57 2old s PRO 118 N -3.22 3.89 -0.92 0.00 0.04 -1.26 -4.50 135.00 129.02 2old s PRO 118 Ca 0.59 1.25 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 2old s PRO 118 Cb -0.10 -2.12 0.25 0.00 0.04 0.00 0.00 34.50 32.58 2old s PRO 118 CO 0.17 -0.34 0.97 -1.13 0.04 0.00 0.00 177.00 176.71 2old n SER 119 N -1.01 4.78 -4.69 6.66 3.41 -0.68 -4.91 113.62 117.18 2old n SER 119 Ca 0.08 -3.24 -0.39 0.00 -0.26 0.00 0.00 58.87 55.06 2old n SER 119 Cb 0.53 -1.07 0.03 0.00 -0.26 0.00 0.00 64.21 63.44 2old n SER 119 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2old n VAL 120 N 1.87 3.23 -3.67 -3.33 3.14 -1.25 -4.06 118.33 114.26 2old n VAL 120 Ca 0.24 -0.50 -0.19 0.00 -2.96 0.00 0.00 64.34 60.93 2old n VAL 120 Cb 0.37 -1.50 -0.17 0.00 -1.06 0.00 0.00 33.84 31.48 2old n VAL 120 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2old s THR 121 N -1.29 -0.15 -0.15 1.55 2.01 0.99 -4.95 115.64 113.64 2old s THR 121 Ca 0.68 0.40 -0.12 0.00 0.31 0.00 0.00 61.69 62.96 2old s THR 121 Cb -0.46 -0.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.81 2old s THR 121 CO 0.53 0.17 0.25 -0.22 -0.69 0.00 0.00 174.62 174.66 2old s LEU 122 N 2.20 4.27 -0.00 4.42 2.96 -1.26 -0.39 118.68 130.88 2old s LEU 122 Ca 0.04 0.48 0.05 0.00 -0.22 0.00 0.00 54.13 54.48 2old s LEU 122 Cb -0.12 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 2old s LEU 122 CO -0.04 0.16 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.66 2old s PHE 123 N 0.20 2.70 0.26 5.38 0.08 0.86 -4.97 117.98 122.49 2old s PHE 123 Ca 0.15 -0.16 -0.02 0.00 0.12 0.00 0.00 56.93 57.01 2old s PHE 123 Cb -0.13 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 2old s PHE 123 CO 0.03 0.26 0.49 -1.25 -0.10 0.00 0.00 175.22 174.64 2old s PRO 124 N -1.15 3.56 -0.20 0.24 0.04 -1.26 -2.23 135.00 134.00 2old s PRO 124 Ca 0.14 -0.19 -0.38 0.00 0.04 0.00 0.00 61.00 60.61 2old s PRO 124 Cb -0.11 -2.73 -0.14 0.00 0.04 0.00 0.00 34.50 31.56 2old s PRO 124 CO 0.04 0.28 1.77 -2.30 0.04 0.00 0.00 177.00 176.83 2old n PRO 125 N -0.96 1.48 -0.61 0.56 -0.02 -1.24 -4.89 135.00 129.32 2old n PRO 125 Ca -0.03 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.68 2old n PRO 125 Cb 0.54 -2.27 0.20 0.00 -0.02 0.00 0.00 33.50 31.95 2old n PRO 125 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2old n SER 126 N 5.62 -1.24 0.12 2.55 3.41 -1.26 -4.84 113.62 117.97 2old n SER 126 Ca 0.25 0.09 -0.13 0.00 -0.26 0.00 0.00 58.87 58.82 2old n SER 126 Cb 0.18 -1.28 -0.07 0.00 -0.26 0.00 0.00 64.21 62.79 2old n SER 126 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2old h SER 127 N -2.21 -0.23 -0.47 4.04 0.87 -1.99 -2.81 113.55 110.75 2old h SER 127 Ca -0.52 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 59.97 2old h SER 127 Cb 1.31 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.32 2old h SER 127 CO 0.43 -0.15 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.20 2old h GLU 128 N -0.24 0.85 -0.83 2.24 4.39 -1.98 -2.67 114.58 116.35 2old h GLU 128 Ca -0.01 -0.30 0.19 0.00 0.34 0.00 0.00 59.36 59.58 2old h GLU 128 Cb 0.20 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 2old h GLU 128 CO 0.01 0.93 0.56 1.49 -1.16 0.00 0.00 179.01 180.84 2old h GLU 129 N 0.70 0.29 0.00 2.33 4.81 -1.83 0.72 114.58 121.59 2old h GLU 129 Ca 0.13 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2old h GLU 129 Cb 0.57 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2old h GLU 129 CO 0.03 0.19 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.34 2old h LEU 130 N 0.30 0.00 0.67 1.64 3.38 -1.18 -2.56 115.31 117.56 2old h LEU 130 Ca 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 2old h LEU 130 Cb 1.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.92 2old h LEU 130 CO -0.12 0.09 -0.32 1.56 0.09 0.00 0.00 178.44 179.74 2old h GLN 131 N 0.00 -0.87 -1.50 1.13 1.08 0.46 -2.52 115.11 112.89 2old h GLN 131 Ca -0.00 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2old h GLN 131 Cb 0.56 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 2old h GLN 131 CO 0.01 -0.56 0.00 0.00 -0.95 0.00 0.00 178.83 177.34 2old n ALA 132 N -2.53 1.94 -4.05 3.87 0.00 -1.21 -4.68 120.51 113.85 2old n ALA 132 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.98 2old n ALA 132 Cb 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2old n ALA 132 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2old n ASN 133 N 0.75 -3.98 -4.24 0.00 5.15 -0.95 -4.96 115.26 107.04 2old n ASN 133 Ca 0.00 -0.89 -0.16 0.00 -0.60 0.00 0.00 54.58 52.93 2old n ASN 133 Cb 0.22 -3.37 -0.11 0.00 -0.53 0.00 0.00 39.78 36.00 2old n ASN 133 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2old s LYS 134 N -6.75 1.01 -0.29 1.20 1.02 -0.97 -4.55 119.74 110.42 2old s LYS 134 Ca 0.67 -1.32 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 2old s LYS 134 Cb -0.35 -0.73 0.17 0.00 -0.52 0.00 0.00 37.83 36.40 2old s LYS 134 CO 0.88 0.12 0.57 0.00 -0.92 0.00 0.00 175.35 175.99 2old s ALA 135 N -2.70 -2.02 -0.06 5.17 0.00 -1.25 -2.53 121.76 118.37 2old s ALA 135 Ca 0.12 1.75 0.03 0.00 0.00 0.00 0.00 51.96 53.86 2old s ALA 135 Cb -0.01 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 21.09 2old s ALA 135 CO 0.02 -1.25 -0.16 0.99 0.00 0.00 0.00 175.76 175.36 2old s THR 136 N 2.81 1.37 0.06 0.00 2.01 -1.26 -1.94 115.64 118.70 2old s THR 136 Ca 0.16 -0.64 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 2old s THR 136 Cb -0.15 -1.21 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 2old s THR 136 CO -0.20 0.40 0.51 -0.76 -0.69 0.00 0.00 174.62 173.89 2old s LEU 137 N 0.41 4.47 -0.17 4.42 1.02 -1.23 -3.73 118.68 123.87 2old s LEU 137 Ca -0.12 1.12 0.00 0.00 0.02 0.00 0.00 54.13 55.15 2old s LEU 137 Cb -0.15 -2.87 0.01 0.00 0.02 0.00 0.00 46.19 43.21 2old s LEU 137 CO 0.04 0.26 -0.17 -0.69 0.02 0.00 0.00 176.35 175.81 2old s VAL 138 N -1.18 2.38 -0.68 -1.59 1.01 -0.95 -2.42 120.40 116.98 2old s VAL 138 Ca 0.29 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 2old s VAL 138 Cb -0.18 -2.01 0.18 0.00 0.00 0.00 0.00 36.38 34.37 2old s VAL 138 CO 0.17 0.52 0.55 0.00 0.00 0.00 0.00 175.10 176.34 2old s LEU 140 N 0.20 4.08 -0.25 0.00 2.96 0.48 -1.52 118.68 124.64 2old s LEU 140 Ca 0.16 1.45 -0.04 0.00 -0.22 0.00 0.00 54.13 55.48 2old s LEU 140 Cb -0.17 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.98 2old s LEU 140 CO -0.05 -0.80 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.53 2old s ILE 141 N 3.59 3.37 0.23 6.68 1.01 0.48 -0.01 121.20 136.54 2old s ILE 141 Ca 0.51 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.47 2old s ILE 141 Cb -0.18 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2old s ILE 141 CO 0.14 0.27 0.06 -0.94 0.00 0.00 0.00 174.94 174.46 2old s SER 142 N 1.44 1.23 -0.93 3.58 1.04 -1.26 -0.64 113.70 118.16 2old s SER 142 Ca 0.03 -1.30 -0.09 0.00 0.48 0.00 0.00 55.95 55.06 2old s SER 142 Cb -0.16 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2old s SER 142 CO -0.02 -0.66 0.69 0.47 0.98 0.00 0.00 173.24 174.70 2old n ASP 143 N -0.39 -5.63 -3.89 7.02 8.00 -0.86 -1.68 116.55 119.12 2old n ASP 143 Ca -0.02 -0.80 -0.11 0.00 0.71 0.00 0.00 54.79 54.56 2old n ASP 143 Cb 0.65 -3.04 -0.12 0.00 -0.02 0.00 0.00 41.12 38.59 2old n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2old s PHE 144 N -3.18 0.03 -0.05 1.24 -0.12 -1.05 -4.10 117.98 110.75 2old s PHE 144 Ca 0.19 -0.06 -0.02 0.00 -0.05 0.00 0.00 56.93 56.99 2old s PHE 144 Cb -0.08 -0.04 0.03 0.00 -0.63 0.00 0.00 43.02 42.30 2old s PHE 144 CO 0.86 -0.13 0.12 -0.47 -0.05 0.00 0.00 175.22 175.55 2old s TYR 145 N -0.64 -0.12 0.66 3.49 6.04 -0.48 -0.49 117.35 125.81 2old s TYR 145 Ca -0.07 0.39 -0.11 0.00 0.04 0.00 0.00 57.07 57.31 2old s TYR 145 Cb -0.04 -0.09 0.16 0.00 -1.04 0.00 0.00 41.96 40.94 2old s TYR 145 CO 0.00 -0.14 0.73 -2.30 -1.54 0.00 0.00 175.55 172.31 2old n PRO 146 N 4.02 -1.51 0.00 4.97 -0.02 -1.26 -2.00 135.00 139.20 2old n PRO 146 Ca -0.25 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.09 2old n PRO 146 Cb 0.53 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 2old n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2old n GLY 147 N -1.02 1.15 3.60 -1.23 0.00 -1.26 -4.76 105.19 101.67 2old n GLY 147 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2old n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2old s ALA 148 N -0.95 3.32 -0.15 4.61 0.00 -1.26 -4.74 121.76 122.58 2old s ALA 148 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 2old s ALA 148 Cb 0.00 -3.67 0.04 0.00 0.00 0.00 0.00 23.12 19.49 2old s ALA 148 CO 0.00 -1.86 0.41 0.08 0.00 0.00 0.00 175.76 174.39 2old s VAL 149 N 3.81 -0.00 -0.05 0.00 1.01 -1.26 -4.16 120.40 119.74 2old s VAL 149 Ca 0.41 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2old s VAL 149 Cb -0.10 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.72 2old s VAL 149 CO 0.23 0.00 -0.09 0.42 0.00 0.00 0.00 175.10 175.66 2old s THR 150 N 0.25 0.87 0.09 3.92 -4.23 -0.85 -4.99 115.64 110.69 2old s THR 150 Ca -0.00 -0.33 0.10 0.00 -1.18 0.00 0.00 61.69 60.27 2old s THR 150 Cb -0.03 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 2old s THR 150 CO 0.00 0.29 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.44 2old s VAL 151 N 0.71 2.05 0.13 2.29 1.01 -1.26 -0.56 120.40 124.76 2old s VAL 151 Ca -0.13 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.32 2old s VAL 151 Cb -0.15 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2old s VAL 151 CO 0.02 0.17 0.01 0.00 0.00 0.00 0.00 175.10 175.30 2old s ALA 152 N -0.96 0.98 0.10 5.51 0.00 -0.95 -5.00 121.76 121.44 2old s ALA 152 Ca 0.11 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.68 2old s ALA 152 Cb -0.10 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2old s ALA 152 CO 0.04 -0.38 -0.15 -1.58 0.00 0.00 0.00 175.76 173.69 2old s TRP 153 N -3.84 1.36 -0.06 0.00 0.52 -1.26 -1.70 118.94 113.96 2old s TRP 153 Ca 0.20 -0.49 0.02 0.00 0.02 0.00 0.00 56.10 55.84 2old s TRP 153 Cb 0.07 -0.74 0.01 0.00 -1.15 0.00 0.00 33.47 31.66 2old s TRP 153 CO -0.00 0.11 -0.12 0.15 0.02 0.00 0.00 176.95 177.11 2old s LYS 154 N -2.14 1.62 -0.74 4.98 -0.14 -1.20 -2.51 119.74 119.60 2old s LYS 154 Ca 0.03 -0.39 -0.02 0.00 -1.36 0.00 0.00 55.97 54.23 2old s LYS 154 Cb -0.08 -1.35 0.19 0.00 -1.68 0.00 0.00 37.83 34.91 2old s LYS 154 CO 0.03 0.02 0.59 0.00 -0.76 0.00 0.00 175.35 175.23 2old s ALA 155 N 0.66 3.88 -0.47 5.17 0.00 0.74 -2.79 121.76 128.95 2old s ALA 155 Ca -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 51.96 48.28 2old s ALA 155 Cb -0.16 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.22 2old s ALA 155 CO 0.03 -2.13 0.40 -0.25 0.00 0.00 0.00 175.76 173.81 2old n ASP 156 N 2.97 -2.59 -1.41 0.00 8.00 -1.21 -3.58 116.55 118.72 2old n ASP 156 Ca 0.14 -0.22 -0.11 0.00 0.71 0.00 0.00 54.79 55.31 2old n ASP 156 Cb 0.38 -2.21 0.01 0.00 -0.02 0.00 0.00 41.12 39.27 2old n ASP 156 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2old n SER 157 N -1.22 -3.68 -3.69 -2.24 2.88 -1.26 -5.03 113.62 99.39 2old n SER 157 Ca -0.07 -0.07 -0.17 0.00 -1.33 0.00 0.00 58.87 57.23 2old n SER 157 Cb 0.55 -2.77 -0.16 0.00 -0.75 0.00 0.00 64.21 61.08 2old n SER 157 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2old s SER 158 N -2.67 0.66 0.03 -3.46 1.04 -1.24 -5.11 113.70 102.96 2old s SER 158 Ca 0.07 0.23 -0.31 0.00 0.48 0.00 0.00 55.95 56.41 2old s SER 158 Cb -0.03 0.11 -0.10 0.00 0.10 0.00 0.00 66.02 66.10 2old s SER 158 CO 0.08 -0.22 1.91 -0.81 0.98 0.00 0.00 173.24 175.19 2old n PRO 159 N 5.03 2.69 -3.71 4.02 -0.04 -1.26 -0.19 135.00 141.54 2old n PRO 159 Ca -0.10 0.98 -0.26 0.00 -0.04 0.00 0.00 63.50 64.08 2old n PRO 159 Cb 0.50 -2.90 -0.17 0.00 -0.04 0.00 0.00 33.50 30.90 2old n PRO 159 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2old s VAL 160 N 3.87 0.34 -0.23 0.52 1.01 -1.04 -4.90 120.40 119.98 2old s VAL 160 Ca 0.88 -0.33 0.14 0.00 0.00 0.00 0.00 61.98 62.67 2old s VAL 160 Cb -0.51 -0.82 0.64 0.00 0.00 0.00 0.00 36.38 35.69 2old s VAL 160 CO 0.43 -0.14 1.58 0.29 0.00 0.00 0.00 175.10 177.25 2old n LYS 161 N 5.12 3.50 -2.88 2.72 4.76 -1.26 -4.54 118.16 125.59 2old n LYS 161 Ca -0.08 -3.00 -0.44 0.00 -2.87 0.00 0.00 58.31 51.92 2old n LYS 161 Cb 0.48 -2.02 -0.00 0.00 -1.84 0.00 0.00 35.03 31.65 2old n LYS 161 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2old s ALA 162 N -2.88 3.81 0.00 7.82 0.00 -1.26 -3.64 121.76 125.62 2old s ALA 162 Ca 0.48 -3.22 0.00 0.00 0.00 0.00 0.00 51.96 49.22 2old s ALA 162 Cb 0.38 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2old s ALA 162 CO 0.11 -2.89 0.00 0.41 0.00 0.00 0.00 175.76 173.38 2old n GLY 163 N 4.50 0.71 3.79 0.00 0.00 -1.26 -4.96 105.19 107.97 2old n GLY 163 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 2old n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2old s VAL 164 N -1.12 4.34 -0.28 1.61 1.01 -1.24 -1.92 120.40 122.80 2old s VAL 164 Ca 0.00 1.64 -0.03 0.00 0.00 0.00 0.00 61.98 63.58 2old s VAL 164 Cb 0.00 -3.96 0.16 0.00 0.00 0.00 0.00 36.38 32.58 2old s VAL 164 CO 0.00 0.17 0.54 -0.70 0.00 0.00 0.00 175.10 175.11 2old s GLU 165 N -2.01 0.50 0.04 2.72 2.12 -0.07 -4.99 118.70 117.01 2old s GLU 165 Ca 0.47 0.98 0.06 0.00 0.36 0.00 0.00 54.97 56.84 2old s GLU 165 Cb -0.18 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.53 2old s GLU 165 CO 0.23 -0.52 -0.12 0.99 -0.54 0.00 0.00 175.26 175.30 2old s THR 166 N 2.77 3.25 0.48 -1.70 2.01 -1.26 0.88 115.64 122.07 2old s THR 166 Ca 0.13 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 2old s THR 166 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2old s THR 166 CO -0.19 0.31 0.74 0.42 -0.69 0.00 0.00 174.62 175.22 2old s THR 167 N -1.01 4.19 -0.17 -0.82 -4.23 -0.91 -5.02 115.64 107.67 2old s THR 167 Ca 0.17 -0.22 -0.25 0.00 -1.18 0.00 0.00 61.69 60.21 2old s THR 167 Cb -0.11 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 2old s THR 167 CO 0.08 -0.49 0.81 0.42 -0.54 0.00 0.00 174.62 174.89 2old s THR 168 N -2.69 4.90 -0.67 3.99 -4.23 -1.26 -4.71 115.64 110.97 2old s THR 168 Ca 0.49 1.58 -0.27 0.00 -1.18 0.00 0.00 61.69 62.31 2old s THR 168 Cb -0.10 -4.11 -0.17 0.00 1.34 0.00 0.00 72.50 69.46 2old s THR 168 CO 0.41 0.04 1.99 -2.65 -0.54 0.00 0.00 174.62 173.87 2old n PRO 169 N 5.15 0.00 -3.37 3.99 -0.02 -1.26 -4.91 135.00 134.58 2old n PRO 169 Ca 0.04 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.14 2old n PRO 169 Cb 0.49 -1.17 -0.06 0.00 -0.02 0.00 0.00 33.50 32.74 2old n PRO 169 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2old s SER 170 N 6.38 6.70 0.82 2.55 0.15 -0.55 -4.87 113.70 124.88 2old s SER 170 Ca 1.03 0.83 -0.11 0.00 0.70 0.00 0.00 55.95 58.40 2old s SER 170 Cb -1.04 -2.27 0.09 0.00 -1.71 0.00 0.00 66.02 61.08 2old s SER 170 CO 0.42 0.08 1.09 -0.75 1.20 0.00 0.00 173.24 175.28 2old s LYS 171 N 0.23 1.86 0.24 5.44 2.20 -1.26 -1.71 119.74 126.74 2old s LYS 171 Ca 0.25 0.97 0.02 0.00 -0.36 0.00 0.00 55.97 56.85 2old s LYS 171 Cb -0.15 -1.87 -0.01 0.00 -1.51 0.00 0.00 37.83 34.29 2old s LYS 171 CO 0.11 -1.87 0.06 1.04 -0.36 0.00 0.00 175.35 174.33 2old n GLN 172 N -3.65 0.86 -0.06 4.03 6.02 -0.79 -4.84 117.38 118.96 2old n GLN 172 Ca 0.08 -1.96 -0.14 0.00 -0.01 0.00 0.00 57.00 54.97 2old n GLN 172 Cb 0.54 0.94 -0.07 0.00 1.02 0.00 0.00 30.24 32.68 2old n GLN 172 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2old h SER 173 N 0.86 0.46 0.00 1.08 4.64 -1.98 -2.37 113.55 116.24 2old h SER 173 Ca -0.19 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 2old h SER 173 Cb 0.69 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2old h SER 173 CO 0.31 0.89 0.00 -0.46 -0.87 0.00 0.00 176.83 176.69 2old n ASN 174 N -4.47 0.21 0.00 4.97 0.23 -1.26 -4.78 115.26 110.17 2old n ASN 174 Ca -0.06 -0.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.99 2old n ASN 174 Cb 0.42 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 2old n ASN 174 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2old n ASN 175 N -0.18 0.00 -4.82 0.53 5.03 -0.89 -4.94 115.26 110.00 2old n ASN 175 Ca 0.00 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.14 2old n ASN 175 Cb 0.05 -0.28 0.05 0.00 -1.02 0.00 0.00 39.78 38.58 2old n ASN 175 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2old s LYS 176 N 0.00 2.94 0.64 3.52 1.02 -1.26 -4.42 119.74 122.17 2old s LYS 176 Ca 0.00 0.97 -0.04 0.00 0.02 0.00 0.00 55.97 56.93 2old s LYS 176 Cb 0.00 -1.99 0.05 0.00 -0.52 0.00 0.00 37.83 35.37 2old s LYS 176 CO 0.00 -1.10 0.92 0.71 -0.92 0.00 0.00 175.35 174.96 2old s TYR 177 N -3.01 2.93 -0.03 3.18 2.02 0.36 -1.88 117.35 120.92 2old s TYR 177 Ca 0.58 0.30 -0.20 0.00 -0.37 0.00 0.00 57.07 57.38 2old s TYR 177 Cb -0.14 -2.99 0.04 0.00 -0.40 0.00 0.00 41.96 38.47 2old s TYR 177 CO 0.54 -1.16 0.44 0.00 -1.57 0.00 0.00 175.55 173.80 2old s ALA 178 N -3.05 -1.12 0.13 3.71 0.00 -0.69 -2.03 121.76 118.71 2old s ALA 178 Ca 0.58 0.69 -0.24 0.00 0.00 0.00 0.00 51.96 52.99 2old s ALA 178 Cb -0.11 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.11 2old s ALA 178 CO 0.42 -0.29 0.70 0.00 0.00 0.00 0.00 175.76 176.59 2old s ALA 179 N -1.22 -1.62 -0.02 0.00 0.00 0.19 -1.49 121.76 117.60 2old s ALA 179 Ca -0.12 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2old s ALA 179 Cb -0.03 0.75 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 2old s ALA 179 CO 0.06 -0.79 -0.08 -1.12 0.00 0.00 0.00 175.76 173.84 2old s SER 180 N -2.71 1.00 -0.20 0.00 0.01 -1.26 -0.39 113.70 110.15 2old s SER 180 Ca 0.03 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.09 2old s SER 180 Cb -0.01 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 2old s SER 180 CO -0.09 0.07 0.01 -0.55 0.41 0.00 0.00 173.24 173.09 2old s SER 181 N 0.05 4.92 0.11 2.44 0.15 -0.57 -2.14 113.70 118.65 2old s SER 181 Ca -0.00 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.52 2old s SER 181 Cb -0.06 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.37 2old s SER 181 CO -0.00 0.07 0.03 -0.31 1.20 0.00 0.00 173.24 174.22 2old s TYR 182 N 0.99 3.02 -0.51 3.44 2.02 0.25 -0.92 117.35 125.64 2old s TYR 182 Ca 0.02 -0.02 0.05 0.00 -0.37 0.00 0.00 57.07 56.75 2old s TYR 182 Cb -0.14 -1.53 0.18 0.00 -0.40 0.00 0.00 41.96 40.07 2old s TYR 182 CO 0.02 0.50 0.43 -0.11 -1.57 0.00 0.00 175.55 174.81 2old n LEU 183 N 0.37 0.92 -4.56 -1.29 7.94 -1.01 -0.89 117.00 118.47 2old n LEU 183 Ca -0.10 -4.73 -0.39 0.00 -1.11 0.00 0.00 56.01 49.68 2old n LEU 183 Cb 0.52 0.08 -0.03 0.00 0.53 0.00 0.00 43.42 44.52 2old n LEU 183 CO 0.40 1.86 1.97 -1.20 -1.11 0.00 0.00 177.39 179.32 2old n SER 184 N 2.31 2.56 -3.60 1.96 7.64 -0.81 -3.49 113.62 120.19 2old n SER 184 Ca 0.26 -0.25 -0.15 0.00 1.01 0.00 0.00 58.87 59.74 2old n SER 184 Cb 0.44 -1.55 -0.00 0.00 -1.01 0.00 0.00 64.21 62.08 2old n SER 184 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2old n LEU 185 N 14.32 0.00 -4.66 -3.43 7.94 -0.82 -4.73 117.00 125.63 2old n LEU 185 Ca 0.36 -1.66 -0.35 0.00 -1.11 0.00 0.00 56.01 53.25 2old n LEU 185 Cb 0.49 0.01 -0.10 0.00 0.53 0.00 0.00 43.42 44.35 2old n LEU 185 CO 0.70 -0.42 -0.33 -0.89 -1.11 0.00 0.00 177.39 175.34 2old s THR 186 N -1.62 4.15 -0.27 1.96 2.01 -1.26 -3.90 115.64 116.71 2old s THR 186 Ca 0.15 -0.31 0.17 0.00 0.31 0.00 0.00 61.69 62.02 2old s THR 186 Cb -0.01 -2.73 0.17 0.00 0.01 0.00 0.00 72.50 69.94 2old s THR 186 CO 0.10 0.60 1.51 -0.81 -0.69 0.00 0.00 174.62 175.33 2old n PRO 187 N 2.16 0.11 -0.05 4.92 -0.04 -1.26 -1.08 135.00 139.75 2old n PRO 187 Ca -0.18 0.60 -0.03 0.00 -0.04 0.00 0.00 63.50 63.85 2old n PRO 187 Cb 0.53 -1.92 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 2old n PRO 187 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2old h GLU 188 N 0.00 0.00 0.00 0.54 4.57 -1.94 -3.04 114.58 114.71 2old h GLU 188 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2old h GLU 188 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2old h GLU 188 CO 0.00 0.17 0.00 1.96 -1.18 0.00 0.00 179.01 179.96 2old h GLN 189 N -1.00 0.00 0.05 1.92 1.08 -1.63 -2.94 115.11 112.59 2old h GLN 189 Ca -0.00 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.00 2old h GLN 189 Cb 0.19 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2old h GLN 189 CO -0.00 0.00 -1.04 2.35 -0.95 0.00 0.00 178.83 179.19 2old h TRP 190 N 0.00 0.20 0.00 2.96 7.01 -1.24 -3.08 115.95 121.79 2old h TRP 190 Ca 0.00 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.86 2old h TRP 190 Cb 0.21 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2old h TRP 190 CO 0.00 1.41 0.00 1.63 -2.79 0.00 0.00 178.44 178.69 2old n LYS 191 N -4.25 0.70 0.01 2.65 5.02 -1.13 -3.73 118.16 117.42 2old n LYS 191 Ca -0.24 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.05 2old n LYS 191 Cb 0.73 -1.21 -0.00 0.00 -0.02 0.00 0.00 35.03 34.53 2old n LYS 191 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2old n SER 192 N -0.11 0.23 -4.52 4.39 3.41 -1.12 -5.04 113.62 110.85 2old n SER 192 Ca 0.00 0.03 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 2old n SER 192 Cb 0.10 -0.14 0.14 0.00 -0.26 0.00 0.00 64.21 64.05 2old n SER 192 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2old n HIS 193 N -2.71 -0.52 -0.03 7.33 8.25 -1.16 -4.97 115.22 121.41 2old n HIS 193 Ca -0.00 0.30 -0.10 0.00 -0.26 0.00 0.00 57.72 57.66 2old n HIS 193 Cb 0.01 -1.88 -0.08 0.00 1.12 0.00 0.00 29.99 29.16 2old n HIS 193 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2old h ARG 194 N -1.60 -0.06 -2.23 -0.41 -0.00 -1.93 -3.44 114.38 104.71 2old h ARG 194 Ca -0.43 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.02 2old h ARG 194 Cb 1.28 0.01 -0.23 0.00 0.00 0.00 0.00 29.97 31.04 2old h ARG 194 CO 0.37 0.53 -0.09 0.45 0.00 0.00 0.00 179.97 181.23 2old s SER 195 N -5.82 -0.79 0.06 7.04 0.15 -1.26 -3.94 113.70 109.13 2old s SER 195 Ca -0.13 1.30 -0.06 0.00 0.70 0.00 0.00 55.95 57.76 2old s SER 195 Cb -0.01 1.18 -0.05 0.00 -1.71 0.00 0.00 66.02 65.43 2old s SER 195 CO 0.48 -0.22 0.30 -0.31 1.20 0.00 0.00 173.24 174.69 2old s TYR 196 N 1.50 3.54 0.19 3.44 2.02 0.52 -3.30 117.35 125.27 2old s TYR 196 Ca -0.09 0.55 0.03 0.00 -0.37 0.00 0.00 57.07 57.18 2old s TYR 196 Cb -0.06 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.47 2old s TYR 196 CO -0.17 0.55 -0.01 -1.54 -1.57 0.00 0.00 175.55 172.82 2old s SER 197 N -2.00 1.52 -0.10 2.29 1.04 -1.12 0.87 113.70 116.20 2old s SER 197 Ca 0.32 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2old s SER 197 Cb -0.13 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2old s SER 197 CO 0.20 -0.52 -0.09 0.00 0.98 0.00 0.00 173.24 173.81 2old s GLN 199 N 1.46 2.38 -0.22 0.00 -0.21 -0.69 -2.40 119.66 119.99 2old s GLN 199 Ca 0.00 -1.89 -0.17 0.00 0.02 0.00 0.00 55.36 53.32 2old s GLN 199 Cb -0.13 -3.82 -0.03 0.00 1.00 0.00 0.00 33.01 30.02 2old s GLN 199 CO -0.06 -1.16 0.47 0.08 -2.12 0.00 0.00 175.29 172.50 2old s VAL 200 N 1.09 5.13 -0.31 1.09 1.01 0.08 -2.24 120.40 126.25 2old s VAL 200 Ca 0.08 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 62.82 2old s VAL 200 Cb -0.24 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2old s VAL 200 CO -0.02 0.18 0.08 -0.89 0.00 0.00 0.00 175.10 174.45 2old s THR 201 N 1.71 3.86 -0.22 3.92 2.01 0.27 -0.54 115.64 126.65 2old s THR 201 Ca 0.21 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.37 2old s THR 201 Cb -0.15 -3.06 0.05 0.00 0.01 0.00 0.00 72.50 69.35 2old s THR 201 CO 0.09 -0.00 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.62 2old s HIS 202 N 1.46 2.82 -1.00 4.92 5.65 -0.76 -2.02 115.29 126.36 2old s HIS 202 Ca 0.01 -1.91 -0.12 0.00 0.25 0.00 0.00 55.06 53.29 2old s HIS 202 Cb -0.18 -1.80 -0.01 0.00 -1.18 0.00 0.00 32.58 29.41 2old s HIS 202 CO 0.02 -0.81 0.77 -1.91 -0.65 0.00 0.00 174.74 172.16 2old n GLU 203 N 4.57 -1.42 0.00 2.88 2.13 -1.26 -2.90 120.64 124.64 2old n GLU 203 Ca -0.15 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.43 2old n GLU 203 Cb 0.45 -4.44 0.00 0.00 0.27 0.00 0.00 31.44 27.72 2old n GLU 203 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2old n GLY 204 N -1.63 1.63 3.79 8.31 0.00 -1.26 -4.98 105.19 111.04 2old n GLY 204 Ca -0.10 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 2old n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2old s SER 205 N 0.00 4.07 -0.11 1.61 0.01 -1.14 -5.07 113.70 113.07 2old s SER 205 Ca 0.00 1.20 -0.05 0.00 1.31 0.00 0.00 55.95 58.41 2old s SER 205 Cb 0.00 -1.87 0.05 0.00 0.21 0.00 0.00 66.02 64.40 2old s SER 205 CO 0.00 -2.23 0.24 -0.89 0.41 0.00 0.00 173.24 170.78 2old s THR 206 N -3.18 -0.09 0.16 1.44 2.01 -1.26 -1.82 115.64 112.89 2old s THR 206 Ca 0.62 0.17 0.10 0.00 0.31 0.00 0.00 61.69 62.89 2old s THR 206 Cb -0.15 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 2old s THR 206 CO 0.54 0.07 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.69 2old s VAL 207 N 1.43 2.83 0.01 3.82 1.01 0.30 -4.96 120.40 124.84 2old s VAL 207 Ca -0.08 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.18 2old s VAL 207 Cb -0.11 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2old s VAL 207 CO -0.08 -0.05 -0.02 -0.70 0.00 0.00 0.00 175.10 174.25 2old s GLU 208 N -2.57 0.18 -0.04 2.72 2.12 -1.26 -0.74 118.70 119.11 2old s GLU 208 Ca 0.21 -0.31 -0.01 0.00 0.36 0.00 0.00 54.97 55.22 2old s GLU 208 Cb -0.09 0.02 0.03 0.00 0.26 0.00 0.00 34.13 34.35 2old s GLU 208 CO 0.12 -0.02 0.08 0.15 -0.54 0.00 0.00 175.26 175.05 2old s LYS 209 N -0.72 0.00 0.16 4.30 -0.14 -1.01 -4.97 119.74 117.36 2old s LYS 209 Ca -0.07 0.29 0.09 0.00 -1.36 0.00 0.00 55.97 54.92 2old s LYS 209 Cb -0.05 -0.26 -0.04 0.00 -1.68 0.00 0.00 37.83 35.80 2old s LYS 209 CO -0.00 -0.19 -0.12 0.95 -0.76 0.00 0.00 175.35 175.22 2old s THR 210 N 1.31 3.09 -0.05 2.17 -4.23 -1.26 -0.96 115.64 115.72 2old s THR 210 Ca -0.07 -1.59 -0.05 0.00 -1.18 0.00 0.00 61.69 58.81 2old s THR 210 Cb -0.12 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.24 2old s THR 210 CO -0.04 -0.03 0.13 -0.69 -0.54 0.00 0.00 174.62 173.45 2old s VAL 211 N -1.51 -0.00 0.30 2.29 1.01 0.25 -4.96 120.40 117.79 2old s VAL 211 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.29 2old s VAL 211 Cb -0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 2old s VAL 211 CO 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 175.10 175.16 2old s ALA 212 N 0.08 2.60 -0.23 5.51 0.00 -1.26 -0.36 121.76 128.10 2old s ALA 212 Ca -0.00 -1.97 -0.37 0.00 0.00 0.00 0.00 51.96 49.62 2old s ALA 212 Cb -0.01 0.07 -0.13 0.00 0.00 0.00 0.00 23.12 23.05 2old s ALA 212 CO 0.00 0.01 1.92 -2.30 0.00 0.00 0.00 175.76 175.39 2old n PRO 213 N -0.66 1.50 -3.84 0.00 -0.02 -1.25 -4.96 135.00 125.76 2old n PRO 213 Ca -0.05 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.58 2old n PRO 213 Cb 0.63 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 2old n PRO 213 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2old s THR 214 N 4.80 5.48 -0.02 3.45 -1.32 -1.26 -5.10 115.64 121.68 2old s THR 214 Ca 1.00 0.21 -0.08 0.00 -1.21 0.00 0.00 61.69 61.61 2old s THR 214 Cb -0.88 -3.42 0.01 0.00 -1.51 0.00 0.00 72.50 66.70 2old s THR 214 CO 0.56 0.57 0.16 -0.70 -2.21 0.00 0.00 174.62 173.01 2old s GLU 215 N -0.68 0.42 0.34 7.08 2.12 -1.26 -5.17 118.70 121.55 2old s GLU 215 Ca 0.13 -0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.26 2old s GLU 215 Cb -0.12 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.45 2old s GLU 215 CO 0.03 -0.09 0.46 0.00 -0.54 0.00 0.00 175.26 175.11