#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2day s SER 2 N 0.00 -0.26 0.03 1.61 0.15 -1.26 -5.10 113.70 108.87 2day s SER 2 Ca 0.00 -0.40 -0.04 0.00 0.70 0.00 0.00 55.95 56.21 2day s SER 2 Cb 0.00 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2day s SER 2 CO 0.00 -1.03 -0.08 -0.24 1.20 0.00 0.00 173.24 173.09 2day n SER 3 N -0.44 1.25 0.00 5.45 2.88 -1.26 -5.16 113.62 116.35 2day n SER 3 Ca -0.07 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2day n SER 3 Cb 0.61 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2day n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2day n GLY 4 N 3.00 -0.28 3.13 0.46 0.00 -1.26 -5.11 105.19 105.14 2day n GLY 4 Ca -0.03 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 2day n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2day s SER 5 N -0.52 -0.29 -0.03 1.61 0.15 -1.26 -5.08 113.70 108.28 2day s SER 5 Ca 0.00 0.56 -0.09 0.00 0.70 0.00 0.00 55.95 57.12 2day s SER 5 Cb 0.00 0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 2day s SER 5 CO 0.00 -0.12 0.49 0.28 1.20 0.00 0.00 173.24 175.08 2day h SER 6 N 6.32 -0.28 -4.58 5.45 0.02 -2.10 -3.50 113.55 114.88 2day h SER 6 Ca -0.32 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2day h SER 6 Cb 1.18 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.71 2day h SER 6 CO 0.35 0.03 -1.18 0.61 -1.14 0.00 0.00 176.83 175.50 2day n GLY 7 N 0.69 -5.08 3.60 -3.77 0.00 -1.26 -4.92 105.19 94.44 2day n GLY 7 Ca -0.04 0.98 -0.36 0.00 0.00 0.00 0.00 46.02 46.60 2day n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2day n GLU 8 N 1.46 0.55 -5.09 1.61 -0.58 -1.26 -5.01 120.64 112.32 2day n GLU 8 Ca -0.24 0.24 -0.30 0.00 -0.42 0.00 0.00 57.16 56.43 2day n GLU 8 Cb 0.37 -2.17 -0.17 0.00 -0.57 0.00 0.00 31.44 28.91 2day n GLU 8 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2day s GLU 9 N -3.17 2.66 0.10 3.49 2.02 -1.26 -5.13 118.70 117.41 2day s GLU 9 Ca 0.73 -0.78 0.10 0.00 0.02 0.00 0.00 54.97 55.04 2day s GLU 9 Cb -0.36 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 2day s GLU 9 CO 0.50 0.18 -0.27 -0.51 0.02 0.00 0.00 175.26 175.19 2day s ASP 10 N 0.31 3.25 -0.09 -0.19 1.01 -1.26 -5.13 116.67 114.57 2day s ASP 10 Ca -0.15 -0.70 -0.04 0.00 0.71 0.00 0.00 52.55 52.37 2day s ASP 10 Cb -0.17 -0.24 0.05 0.00 1.01 0.00 0.00 42.92 43.57 2day s ASP 10 CO 0.07 0.20 0.17 0.86 0.21 0.00 0.00 175.17 176.69 2day s TRP 11 N -0.98 -0.21 0.07 4.23 -0.11 -1.26 -5.02 118.94 115.66 2day s TRP 11 Ca 0.13 0.66 0.15 0.00 1.22 0.00 0.00 56.10 58.25 2day s TRP 11 Cb -0.10 -0.22 0.30 0.00 -1.50 0.00 0.00 33.47 31.96 2day s TRP 11 CO 0.05 -0.28 1.55 -0.24 -4.62 0.00 0.00 176.95 173.42 2day h VAL 12 N 6.33 1.08 -0.32 5.86 3.04 -1.98 -3.27 116.25 127.00 2day h VAL 12 Ca -0.15 -2.13 0.04 0.00 -1.01 0.00 0.00 66.70 63.45 2day h VAL 12 Cb 1.12 2.26 -0.08 0.00 -2.01 0.00 0.00 31.29 32.58 2day h VAL 12 CO 0.16 0.54 -0.56 0.25 -1.01 0.00 0.00 177.57 176.95 2day h LEU 13 N 0.00 -1.83 -0.84 3.16 5.85 -1.95 0.57 115.31 120.26 2day h LEU 13 Ca -0.01 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2day h LEU 13 Cb 1.22 0.74 0.00 0.00 0.37 0.00 0.00 40.66 42.98 2day h LEU 13 CO 0.07 -0.43 0.00 1.55 -0.34 0.00 0.00 178.44 179.29 2day h PRO 14 N -0.46 0.00 0.00 5.25 0.13 -2.01 -2.26 132.00 132.65 2day h PRO 14 Ca 0.06 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.98 2day h PRO 14 Cb 0.63 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 2day h PRO 14 CO -0.54 0.00 -1.25 1.03 -0.23 0.00 0.00 178.00 177.01 2day h SER 15 N 0.00 0.00 0.45 1.44 0.87 -0.79 -3.24 113.55 112.28 2day h SER 15 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2day h SER 15 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2day h SER 15 CO 0.00 0.82 -0.72 1.21 -0.53 0.00 0.00 176.83 177.61 2day n GLU 16 N -3.12 0.11 0.06 2.24 4.07 0.17 -4.12 120.64 120.04 2day n GLU 16 Ca -0.07 0.01 -0.21 0.00 -0.06 0.00 0.00 57.16 56.82 2day n GLU 16 Cb 0.92 -1.54 -0.15 0.00 -0.06 0.00 0.00 31.44 30.61 2day n GLU 16 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2day h VAL 17 N 0.00 1.30 -0.46 6.31 2.07 -1.50 -2.29 116.25 121.68 2day h VAL 17 Ca 0.00 -2.52 0.04 0.00 0.82 0.00 0.00 66.70 65.03 2day h VAL 17 Cb 0.59 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 2day h VAL 17 CO 0.00 0.74 0.31 1.05 0.02 0.00 0.00 177.57 179.68 2day h GLU 18 N -0.24 0.48 0.19 1.57 4.11 -1.72 0.76 114.58 119.73 2day h GLU 18 Ca -0.22 -0.03 -0.29 0.00 0.07 0.00 0.00 59.36 58.89 2day h GLU 18 Cb 1.79 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 30.96 2day h GLU 18 CO 0.15 0.32 -1.36 -0.24 0.07 0.00 0.00 179.01 177.94 2day h VAL 19 N 0.49 1.22 0.39 -1.06 3.04 -1.72 -3.32 116.25 115.29 2day h VAL 19 Ca 0.19 -2.56 -0.02 0.00 -1.01 0.00 0.00 66.70 63.30 2day h VAL 19 Cb 0.14 2.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 2day h VAL 19 CO -0.05 0.78 -0.19 -0.07 -1.01 0.00 0.00 177.57 177.03 2day h LEU 20 N -0.08 -0.44 -0.89 3.16 3.38 -1.00 -2.94 115.31 116.50 2day h LEU 20 Ca -0.26 -0.03 0.23 0.00 0.09 0.00 0.00 57.88 57.91 2day h LEU 20 Cb 1.94 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 42.65 2day h LEU 20 CO 0.18 -0.25 0.07 -0.33 0.09 0.00 0.00 178.44 178.21 2day h GLU 21 N -0.60 0.08 -1.11 1.13 4.39 -1.02 0.74 114.58 118.19 2day h GLU 21 Ca -0.05 -0.01 0.32 0.00 0.34 0.00 0.00 59.36 59.96 2day h GLU 21 Cb 0.44 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.97 2day h GLU 21 CO 0.09 0.06 0.70 1.03 -1.16 0.00 0.00 179.01 179.73 2day h SER 22 N 0.09 0.41 0.00 1.42 0.87 -1.61 1.71 113.55 116.44 2day h SER 22 Ca 0.53 0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 61.08 2day h SER 22 Cb 1.05 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 2day h SER 22 CO -0.78 -0.01 -0.92 0.40 -0.53 0.00 0.00 176.83 174.99 2day h ILE 23 N 0.31 0.49 -0.46 2.23 2.04 0.29 -3.37 117.51 119.04 2day h ILE 23 Ca 0.67 -1.64 -0.27 0.00 1.00 0.00 0.00 64.86 64.62 2day h ILE 23 Cb 1.80 1.20 -0.14 0.00 -0.74 0.00 0.00 36.82 38.95 2day h ILE 23 CO -0.37 0.17 0.34 -1.22 0.00 0.00 0.00 178.15 177.07 2day n TYR 24 N -4.52 1.44 -0.10 1.37 4.01 0.13 -4.70 117.16 114.79 2day n TYR 24 Ca -0.21 -1.47 -0.03 0.00 -0.16 0.00 0.00 57.90 56.03 2day n TYR 24 Cb 0.49 -0.73 -0.02 0.00 -0.31 0.00 0.00 39.34 38.76 2day n TYR 24 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2day n LEU 25 N 0.03 -0.25 -0.08 7.72 4.77 0.58 0.02 117.00 129.79 2day n LEU 25 Ca 0.28 0.90 -0.12 0.00 -0.03 0.00 0.00 56.01 57.04 2day n LEU 25 Cb 0.83 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2day n LEU 25 CO 0.32 -0.59 -0.22 -0.78 -1.33 0.00 0.00 177.39 174.79 2day h ASP 26 N 0.00 0.00 -0.82 -1.43 3.58 -1.84 -3.38 116.42 112.53 2day h ASP 26 Ca 0.04 -0.38 0.16 0.00 0.42 0.00 0.00 57.03 57.27 2day h ASP 26 Cb 0.10 0.00 -0.16 0.00 1.72 0.00 0.00 39.33 40.99 2day h ASP 26 CO -0.22 1.04 -0.21 -0.62 -2.88 0.00 0.00 179.24 176.35 2day n GLU 27 N -4.57 -0.08 -4.47 0.28 -0.58 -1.17 -4.33 120.64 105.73 2day n GLU 27 Ca -0.16 1.28 -0.29 0.00 -0.42 0.00 0.00 57.16 57.57 2day n GLU 27 Cb 0.42 -1.91 -0.13 0.00 -0.57 0.00 0.00 31.44 29.25 2day n GLU 27 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2day s LEU 28 N -10.67 2.40 0.09 -4.62 0.20 0.10 -3.46 118.68 102.72 2day s LEU 28 Ca -0.12 -0.66 0.08 0.00 0.69 0.00 0.00 54.13 54.12 2day s LEU 28 Cb 0.22 -1.32 -0.03 0.00 -0.43 0.00 0.00 46.19 44.63 2day s LEU 28 CO 0.64 0.20 -0.22 -1.10 -0.29 0.00 0.00 176.35 175.58 2day s GLN 29 N -1.91 1.21 -0.02 1.98 -1.52 -0.57 -4.38 119.66 114.45 2day s GLN 29 Ca 0.15 -1.14 0.05 0.00 -1.95 0.00 0.00 55.36 52.46 2day s GLN 29 Cb -0.10 -1.48 -0.01 0.00 -0.22 0.00 0.00 33.01 31.20 2day s GLN 29 CO 0.06 0.35 -0.16 0.08 -0.25 0.00 0.00 175.29 175.37 2day s VAL 30 N -1.08 1.31 -0.44 1.09 1.01 -1.26 -2.16 120.40 118.87 2day s VAL 30 Ca 0.08 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.40 2day s VAL 30 Cb -0.10 -1.10 0.12 0.00 0.00 0.00 0.00 36.38 35.30 2day s VAL 30 CO 0.04 0.37 0.18 -0.63 0.00 0.00 0.00 175.10 175.06 2day s ILE 31 N -0.28 2.33 -0.03 2.22 1.09 -1.04 -5.06 121.20 120.42 2day s ILE 31 Ca 0.04 -2.85 -0.34 0.00 -1.10 0.00 0.00 60.65 56.40 2day s ILE 31 Cb -0.07 -2.66 -0.12 0.00 -1.06 0.00 0.00 42.46 38.54 2day s ILE 31 CO -0.00 -0.73 1.82 0.29 -0.10 0.00 0.00 174.94 176.22 2day n LYS 32 N 3.61 2.20 -0.56 2.79 5.02 -1.26 -4.14 118.16 125.82 2day n LYS 32 Ca 0.05 0.80 -0.30 0.00 -2.02 0.00 0.00 58.31 56.84 2day n LYS 32 Cb 0.36 -2.64 0.27 0.00 -0.02 0.00 0.00 35.03 33.00 2day n LYS 32 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2day s GLY 33 N 3.45 1.48 -0.57 0.72 0.00 -1.26 -4.94 107.32 106.19 2day s GLY 33 Ca 0.90 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.01 2day s GLY 33 CO 0.49 0.27 1.74 0.70 0.00 0.00 0.00 173.10 176.30 2day n ASN 34 N -5.26 6.73 0.00 1.64 3.02 -1.26 -5.00 115.26 115.13 2day n ASN 34 Ca 0.09 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 2day n ASN 34 Cb 0.58 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2day n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2day n GLY 35 N -0.78 0.12 1.13 7.41 0.00 -1.26 -4.99 105.19 106.81 2day n GLY 35 Ca 0.55 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2day n GLY 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2day n ARG 36 N 0.00 0.00 -0.40 1.61 3.00 -1.26 -4.74 116.66 114.87 2day n ARG 36 Ca 0.00 0.00 0.34 0.00 -0.00 0.00 0.00 57.85 58.19 2day n ARG 36 Cb 0.00 -0.43 0.57 0.00 0.00 0.00 0.00 32.46 32.59 2day n ARG 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2day n THR 37 N -2.91 -0.20 -4.08 5.15 -2.24 -1.26 -4.05 114.28 104.69 2day n THR 37 Ca 0.00 1.50 -0.35 0.00 -2.27 0.00 0.00 64.05 62.92 2day n THR 37 Cb 0.42 -2.45 -0.08 0.00 -2.10 0.00 0.00 70.33 66.12 2day n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2day s SER 38 N -4.31 5.75 1.22 3.42 0.01 -1.26 -5.02 113.70 113.51 2day s SER 38 Ca -0.06 0.22 -0.18 0.00 1.31 0.00 0.00 55.95 57.24 2day s SER 38 Cb 0.26 -1.84 0.27 0.00 0.21 0.00 0.00 66.02 64.91 2day s SER 38 CO 0.69 0.31 0.96 -0.81 0.41 0.00 0.00 173.24 174.80 2day n PRO 39 N 2.61 -2.89 -2.83 12.44 -0.04 -1.26 -4.81 135.00 138.22 2day n PRO 39 Ca -0.18 -1.53 -0.21 0.00 -0.04 0.00 0.00 63.50 61.53 2day n PRO 39 Cb 0.54 -1.44 0.08 0.00 -0.04 0.00 0.00 33.50 32.64 2day n PRO 39 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2day s TRP 40 N -2.74 1.57 -0.13 0.54 0.52 -1.06 -4.73 118.94 112.91 2day s TRP 40 Ca 0.62 -0.50 -0.07 0.00 0.02 0.00 0.00 56.10 56.17 2day s TRP 40 Cb -0.06 -2.57 0.05 0.00 -1.15 0.00 0.00 33.47 29.74 2day s TRP 40 CO 0.48 -1.36 0.32 -2.00 0.02 0.00 0.00 176.95 174.40 2day s GLU 41 N -4.86 0.29 -0.02 4.98 2.12 -1.26 -3.74 118.70 116.21 2day s GLU 41 Ca 0.63 0.63 0.03 0.00 0.36 0.00 0.00 54.97 56.63 2day s GLU 41 Cb -0.06 -0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.27 2day s GLU 41 CO 0.41 -0.15 -0.12 0.42 -0.54 0.00 0.00 175.26 175.28 2day s ILE 42 N 1.24 0.96 0.27 -3.70 1.01 -0.92 -2.51 121.20 117.54 2day s ILE 42 Ca -0.09 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.17 2day s ILE 42 Cb -0.09 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 2day s ILE 42 CO -0.10 0.28 -0.16 -0.31 0.00 0.00 0.00 174.94 174.65 2day s TYR 43 N -0.14 2.11 -0.19 3.97 2.02 -0.92 -1.47 117.35 122.74 2day s TYR 43 Ca 0.02 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 55.98 2day s TYR 43 Cb -0.06 -0.99 0.14 0.00 -0.40 0.00 0.00 41.96 40.64 2day s TYR 43 CO -0.00 0.57 1.06 -1.50 -1.57 0.00 0.00 175.55 174.10 2day s ILE 44 N -2.69 0.00 -0.14 2.71 2.07 -1.02 -1.52 121.20 120.61 2day s ILE 44 Ca 0.28 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.43 2day s ILE 44 Cb -0.02 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.52 2day s ILE 44 CO 0.13 0.00 0.17 -0.89 -1.91 0.00 0.00 174.94 172.44 2day s THR 45 N -0.90 5.42 -0.03 4.00 2.01 -1.22 -0.16 115.64 124.75 2day s THR 45 Ca 0.00 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.35 2day s THR 45 Cb -0.01 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 2day s THR 45 CO -0.01 0.53 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.45 2day s LEU 46 N -0.41 2.16 -0.24 4.42 2.01 -0.28 -4.95 118.68 121.39 2day s LEU 46 Ca 0.13 -0.44 -0.18 0.00 0.01 0.00 0.00 54.13 53.66 2day s LEU 46 Cb -0.12 -1.38 0.07 0.00 0.01 0.00 0.00 46.19 44.77 2day s LEU 46 CO 0.03 0.31 0.62 -1.38 1.01 0.00 0.00 176.35 176.94 2day s HIS 47 N -0.54 -0.83 0.19 0.29 -3.43 -1.26 -2.36 115.29 107.36 2day s HIS 47 Ca 0.08 1.81 -0.30 0.00 -0.80 0.00 0.00 55.06 55.84 2day s HIS 47 Cb -0.11 0.40 -0.09 0.00 -1.43 0.00 0.00 32.58 31.35 2day s HIS 47 CO 0.00 -0.41 1.31 -1.25 -2.00 0.00 0.00 174.74 172.39 2day s PRO 48 N 1.00 4.39 -0.05 -0.38 0.04 -1.26 -4.87 135.00 133.86 2day s PRO 48 Ca -0.05 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 2day s PRO 48 Cb -0.05 -3.20 0.03 0.00 0.04 0.00 0.00 34.50 31.31 2day s PRO 48 CO -0.09 -0.26 2.05 0.00 0.04 0.00 0.00 177.00 178.74 2day n ALA 49 N 2.70 4.26 -3.60 8.56 0.00 -1.26 -4.76 120.51 126.41 2day n ALA 49 Ca 0.06 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 2day n ALA 49 Cb 0.43 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 2day n ALA 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2day s THR 50 N -0.35 0.00 -0.29 0.00 -1.32 -1.26 -5.09 115.64 107.33 2day s THR 50 Ca 0.07 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.36 2day s THR 50 Cb 0.05 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.22 2day s THR 50 CO -0.00 0.00 1.20 0.00 -2.21 0.00 0.00 174.62 173.60 2day s ALA 51 N -0.32 -2.39 0.12 11.08 0.00 -1.26 -5.06 121.76 123.94 2day s ALA 51 Ca -0.01 1.96 -0.29 0.00 0.00 0.00 0.00 51.96 53.62 2day s ALA 51 Cb -0.03 -1.80 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 2day s ALA 51 CO 0.00 -0.27 1.59 0.93 0.00 0.00 0.00 175.76 178.02 2day h GLU 52 N 4.84 -0.53 -2.87 0.00 5.08 -2.03 -3.36 114.58 115.72 2day h GLU 52 Ca -0.27 0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.52 2day h GLU 52 Cb 1.18 0.12 -0.40 0.00 0.50 0.00 0.00 28.75 30.15 2day h GLU 52 CO 0.20 -0.35 -0.77 -0.51 -1.00 0.00 0.00 179.01 176.57 2day s ASP 53 N -4.81 3.44 0.33 1.42 1.11 -1.26 -4.99 116.67 111.91 2day s ASP 53 Ca -0.16 -2.44 0.11 0.00 0.18 0.00 0.00 52.55 50.24 2day s ASP 53 Cb 0.09 -0.82 0.99 0.00 1.07 0.00 0.00 42.92 44.25 2day s ASP 53 CO 0.64 -0.29 1.66 1.56 1.18 0.00 0.00 175.17 179.93 2day h GLN 54 N 6.88 0.31 -0.91 8.23 7.50 -1.72 0.19 115.11 135.58 2day h GLN 54 Ca 0.01 -0.02 0.11 0.00 0.50 0.00 0.00 58.65 59.25 2day h GLN 54 Cb 0.94 -0.07 -0.13 0.00 0.05 0.00 0.00 27.48 28.28 2day h GLN 54 CO 0.41 0.20 -0.44 -3.47 -1.50 0.00 0.00 178.83 174.03 2day n ASP 55 N -5.08 -0.76 -0.01 1.46 -0.08 -1.26 -4.07 116.55 106.75 2day n ASP 55 Ca 0.29 1.60 -0.02 0.00 -1.51 0.00 0.00 54.79 55.15 2day n ASP 55 Cb 0.90 -0.29 -0.01 0.00 2.34 0.00 0.00 41.12 44.06 2day n ASP 55 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2day n SER 56 N -5.25 0.72 -4.52 1.67 2.88 -0.40 -4.91 113.62 103.81 2day n SER 56 Ca 0.06 0.11 -0.32 0.00 -1.33 0.00 0.00 58.87 57.39 2day n SER 56 Cb 0.31 -0.41 -0.12 0.00 -0.75 0.00 0.00 64.21 63.23 2day n SER 56 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2day n GLN 57 N -3.20 0.38 -4.22 -1.46 -0.06 0.52 -4.85 117.38 104.49 2day n GLN 57 Ca -0.04 -0.13 -0.12 0.00 -2.00 0.00 0.00 57.00 54.71 2day n GLN 57 Cb 0.13 -2.28 -0.10 0.00 -4.06 0.00 0.00 30.24 23.94 2day n GLN 57 CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 2day s TYR 58 N 9.06 1.13 -0.29 3.69 -0.85 -1.26 -4.08 117.35 124.74 2day s TYR 58 Ca 1.18 -1.12 -0.16 0.00 -0.52 0.00 0.00 57.07 56.46 2day s TYR 58 Cb -0.71 -0.64 0.15 0.00 0.38 0.00 0.00 41.96 41.14 2day s TYR 58 CO 0.38 -0.34 0.96 0.54 -1.52 0.00 0.00 175.55 175.57 2day s VAL 59 N -3.81 -0.17 -0.12 -3.49 0.11 -1.26 -4.58 120.40 107.08 2day s VAL 59 Ca 0.26 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.17 2day s VAL 59 Cb 0.07 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2day s VAL 59 CO 0.04 0.00 0.39 0.00 -3.33 0.00 0.00 175.10 172.20 2day s PHE 61 N -0.08 0.02 -0.39 0.00 -0.12 -0.99 -2.44 117.98 113.98 2day s PHE 61 Ca -0.03 -0.03 -0.19 0.00 -0.05 0.00 0.00 56.93 56.63 2day s PHE 61 Cb -0.03 -0.04 0.01 0.00 -0.63 0.00 0.00 43.02 42.33 2day s PHE 61 CO 0.01 -0.12 0.55 0.99 -0.05 0.00 0.00 175.22 176.61 2day s THR 62 N -0.56 4.96 -0.41 -4.49 2.01 -0.73 -1.12 115.64 115.28 2day s THR 62 Ca -0.06 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 2day s THR 62 Cb -0.04 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.43 2day s THR 62 CO 0.00 -0.38 1.06 -0.22 -0.69 0.00 0.00 174.62 174.39 2day s LEU 63 N 2.52 3.82 -0.40 4.42 0.20 0.77 -0.24 118.68 129.76 2day s LEU 63 Ca 0.19 0.61 -0.11 0.00 0.69 0.00 0.00 54.13 55.51 2day s LEU 63 Cb -0.15 -3.46 0.05 0.00 -0.43 0.00 0.00 46.19 42.19 2day s LEU 63 CO 0.15 -1.06 0.24 -0.69 -0.29 0.00 0.00 176.35 174.70 2day s VAL 64 N 4.00 4.59 -0.26 1.68 1.01 0.03 -2.43 120.40 129.01 2day s VAL 64 Ca 0.44 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 2day s VAL 64 Cb -0.10 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2day s VAL 64 CO 0.24 -0.35 0.19 -0.76 0.00 0.00 0.00 175.10 174.42 2day s LEU 65 N 1.54 4.06 -0.44 3.92 1.43 -0.54 -1.66 118.68 126.99 2day s LEU 65 Ca 0.02 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 2day s LEU 65 Cb -0.21 -2.13 0.09 0.00 0.03 0.00 0.00 46.19 43.97 2day s LEU 65 CO 0.06 -0.01 0.30 -1.58 0.23 0.00 0.00 176.35 175.35 2day s GLN 66 N 1.46 2.63 -0.47 1.70 0.74 -0.96 -2.17 119.66 122.58 2day s GLN 66 Ca 0.08 -1.52 -0.23 0.00 0.05 0.00 0.00 55.36 53.74 2day s GLN 66 Cb -0.15 -3.86 0.03 0.00 1.10 0.00 0.00 33.01 30.13 2day s GLN 66 CO 0.08 -1.02 0.82 0.08 -0.55 0.00 0.00 175.29 174.70 2day s VAL 67 N 1.44 4.59 1.21 1.34 1.01 -1.25 -1.36 120.40 127.39 2day s VAL 67 Ca 0.04 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 2day s VAL 67 Cb -0.24 -4.38 0.29 0.00 0.00 0.00 0.00 36.38 32.06 2day s VAL 67 CO 0.02 -0.81 1.11 -2.16 0.00 0.00 0.00 175.10 173.25 2day s PRO 68 N 3.43 -1.31 0.05 2.72 0.04 -1.26 -2.57 135.00 136.09 2day s PRO 68 Ca 0.30 -0.09 -0.21 0.00 0.04 0.00 0.00 61.00 61.03 2day s PRO 68 Cb -0.12 -1.59 -0.13 0.00 0.04 0.00 0.00 34.50 32.70 2day s PRO 68 CO 0.22 -3.77 1.44 0.00 0.04 0.00 0.00 177.00 174.93 2day h ALA 69 N -2.62 0.19 -0.90 8.56 0.00 -1.94 -3.10 119.26 119.46 2day h ALA 69 Ca -0.44 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 54.48 2day h ALA 69 Cb 1.29 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2day h ALA 69 CO 0.33 -0.06 0.35 0.93 0.00 0.00 0.00 179.25 180.79 2day h GLU 70 N -0.03 0.30 -4.35 0.00 4.39 -1.93 -3.43 114.58 109.52 2day h GLU 70 Ca 0.04 -0.02 -0.49 0.00 0.34 0.00 0.00 59.36 59.23 2day h GLU 70 Cb 0.45 -0.07 0.08 0.00 -0.10 0.00 0.00 28.75 29.11 2day h GLU 70 CO 0.01 0.20 -0.35 0.98 -1.16 0.00 0.00 179.01 178.69 2day n TYR 71 N -5.12 -0.29 0.24 4.33 4.19 -1.17 -1.03 117.16 118.31 2day n TYR 71 Ca 0.23 0.71 0.12 0.00 3.31 0.00 0.00 57.90 62.26 2day n TYR 71 Cb 0.70 -1.43 0.56 0.00 0.49 0.00 0.00 39.34 39.66 2day n TYR 71 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2day h PRO 72 N 0.83 0.00 -0.55 2.98 0.13 -1.90 -3.44 132.00 130.04 2day h PRO 72 Ca -0.22 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.08 2day h PRO 72 Cb 1.04 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.07 2day h PRO 72 CO 0.42 0.17 0.05 0.72 -0.23 0.00 0.00 178.00 179.12 2day n HIS 73 N -3.38 0.39 -4.46 1.56 8.25 -0.20 -4.07 115.22 113.32 2day n HIS 73 Ca -0.00 0.67 -0.32 0.00 -0.26 0.00 0.00 57.72 57.81 2day n HIS 73 Cb 0.37 -0.94 -0.10 0.00 1.12 0.00 0.00 29.99 30.43 2day n HIS 73 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2day s GLU 74 N -5.33 2.52 0.28 -0.41 2.56 -1.23 -4.89 118.70 112.20 2day s GLU 74 Ca -0.07 -0.74 -0.28 0.00 0.00 0.00 0.00 54.97 53.87 2day s GLU 74 Cb 0.17 -2.48 -0.09 0.00 2.00 0.00 0.00 34.13 33.72 2day s GLU 74 CO 0.43 0.60 0.99 0.14 -0.56 0.00 0.00 175.26 176.86 2day s VAL 75 N -1.00 3.93 0.06 3.70 -7.23 -1.26 -3.59 120.40 115.01 2day s VAL 75 Ca 0.17 1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 61.86 2day s VAL 75 Cb -0.11 -4.12 -0.07 0.00 0.56 0.00 0.00 36.38 32.65 2day s VAL 75 CO 0.08 0.35 1.40 -2.16 -0.31 0.00 0.00 175.10 174.45 2day s PRO 76 N -1.55 4.31 -0.16 4.82 0.04 -1.26 -4.77 135.00 136.43 2day s PRO 76 Ca 0.45 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.24 2day s PRO 76 Cb -0.25 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 30.82 2day s PRO 76 CO 0.32 -0.50 2.16 -0.65 0.04 0.00 0.00 177.00 178.38 2day s GLN 77 N 1.70 3.35 -0.28 4.56 -0.21 -0.47 -4.70 119.66 123.62 2day s GLN 77 Ca 0.64 2.16 -0.27 0.00 0.02 0.00 0.00 55.36 57.91 2day s GLN 77 Cb -0.34 -4.33 0.01 0.00 1.00 0.00 0.00 33.01 29.35 2day s GLN 77 CO 0.29 -1.85 0.98 0.42 -2.12 0.00 0.00 175.29 173.01 2day s ILE 78 N 7.45 4.65 0.13 1.08 1.09 -1.26 -2.27 121.20 132.07 2day s ILE 78 Ca 0.98 1.70 0.06 0.00 -1.10 0.00 0.00 60.65 62.28 2day s ILE 78 Cb -0.35 -4.30 -0.04 0.00 -1.06 0.00 0.00 42.46 36.71 2day s ILE 78 CO 0.37 -0.30 -0.13 -0.44 -0.10 0.00 0.00 174.94 174.34 2day s SER 79 N 1.47 1.95 -0.12 3.58 0.01 -0.67 -4.95 113.70 114.97 2day s SER 79 Ca 0.41 -0.86 0.02 0.00 1.31 0.00 0.00 55.95 56.83 2day s SER 79 Cb -0.14 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2day s SER 79 CO 0.11 -0.19 -0.18 -0.63 0.41 0.00 0.00 173.24 172.76 2day s ILE 80 N -2.41 2.52 0.04 1.44 1.01 -1.26 -0.79 121.20 121.76 2day s ILE 80 Ca 0.11 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.95 2day s ILE 80 Cb -0.03 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 2day s ILE 80 CO 0.03 0.54 -0.04 -0.60 0.00 0.00 0.00 174.94 174.86 2day s ARG 81 N 0.44 2.51 -1.37 2.79 6.06 0.66 -4.66 118.95 125.38 2day s ARG 81 Ca -0.13 -0.79 -0.17 0.00 -2.50 0.00 0.00 55.73 52.14 2day s ARG 81 Cb -0.17 -2.50 0.02 0.00 0.06 0.00 0.00 34.95 32.36 2day s ARG 81 CO 0.06 0.57 0.38 0.27 -2.50 0.00 0.00 175.30 174.08 2day n ASN 82 N 1.12 -1.75 -4.56 -2.12 0.23 -1.26 -1.78 115.26 105.14 2day n ASN 82 Ca -0.14 -1.26 -0.27 0.00 -0.53 0.00 0.00 54.58 52.39 2day n ASN 82 Cb 0.52 -1.82 -0.05 0.00 -2.08 0.00 0.00 39.78 36.35 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2day s PRO 83 N -7.29 2.55 0.08 -0.53 0.04 -1.26 -4.33 135.00 124.25 2day s PRO 83 Ca 0.25 -0.33 0.04 0.00 0.04 0.00 0.00 61.00 61.00 2day s PRO 83 Cb -0.13 -5.07 -0.04 0.00 0.04 0.00 0.00 34.50 29.30 2day s PRO 83 CO 0.97 -3.41 0.02 0.50 0.04 0.00 0.00 177.00 175.12 2day s ARG 84 N 6.99 2.67 0.00 4.56 6.06 -1.02 -4.55 118.95 133.66 2day s ARG 84 Ca 0.70 -0.77 0.00 0.00 -2.50 0.00 0.00 55.73 53.16 2day s ARG 84 Cb -0.06 -2.61 0.00 0.00 0.06 0.00 0.00 34.95 32.34 2day s ARG 84 CO -0.00 0.56 0.00 0.41 -2.50 0.00 0.00 175.30 173.77 2day n GLY 85 N 0.64 2.20 3.95 8.12 0.00 -1.26 -2.05 105.19 116.79 2day n GLY 85 Ca -0.11 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 2day n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2day s LEU 86 N 0.00 3.21 0.22 0.99 1.43 -1.26 -4.89 118.68 118.37 2day s LEU 86 Ca 0.00 0.22 0.10 0.00 -1.03 0.00 0.00 54.13 53.41 2day s LEU 86 Cb 0.00 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2day s LEU 86 CO 0.00 -1.18 -0.09 -0.44 0.23 0.00 0.00 176.35 174.87 2day s SER 87 N -4.41 4.22 0.27 2.29 0.01 -1.26 -4.95 113.70 109.87 2day s SER 87 Ca 0.56 -0.67 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 2day s SER 87 Cb -0.10 -0.69 0.50 0.00 0.21 0.00 0.00 66.02 65.94 2day s SER 87 CO 0.41 0.07 1.44 0.47 0.41 0.00 0.00 173.24 176.03 2day n ASP 88 N -0.31 -0.27 0.08 2.44 8.00 -1.26 -0.28 116.55 124.95 2day n ASP 88 Ca -0.09 1.58 -0.15 0.00 0.71 0.00 0.00 54.79 56.83 2day n ASP 88 Cb 0.57 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 41.08 2day n ASP 88 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2day h GLU 89 N 0.00 -0.66 0.44 -1.24 4.39 -2.00 -1.10 114.58 114.41 2day h GLU 89 Ca 0.47 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.21 2day h GLU 89 Cb 0.80 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 2day h GLU 89 CO -0.92 -0.44 -0.46 1.96 -1.16 0.00 0.00 179.01 177.99 2day h GLN 90 N -0.68 -0.87 -0.95 2.33 4.20 -1.04 -2.36 115.11 115.74 2day h GLN 90 Ca 0.02 0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.90 2day h GLN 90 Cb 0.72 0.20 -0.14 0.00 0.30 0.00 0.00 27.48 28.56 2day h GLN 90 CO -0.31 -0.58 -0.46 -0.89 -0.67 0.00 0.00 178.83 175.92 2day n ILE 91 N -5.19 -0.57 -0.18 2.54 5.41 -0.38 0.29 119.36 121.29 2day n ILE 91 Ca -0.11 2.27 -0.01 0.00 1.00 0.00 0.00 62.75 65.90 2day n ILE 91 Cb 0.41 -2.91 0.07 0.00 -0.71 0.00 0.00 39.64 36.50 2day n ILE 91 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2day h HIS 92 N 0.00 -0.11 0.51 1.39 2.76 -1.00 -2.04 115.15 116.67 2day h HIS 92 Ca 0.25 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 2day h HIS 92 Cb 0.49 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 2day h HIS 92 CO -0.90 -0.17 -0.35 1.15 -1.30 0.00 0.00 177.93 176.36 2day h THR 93 N 0.08 0.00 -1.22 6.26 2.02 0.38 -2.04 112.91 118.39 2day h THR 93 Ca 0.28 0.00 0.44 0.00 0.77 0.00 0.00 66.41 67.90 2day h THR 93 Cb 0.44 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.70 2day h THR 93 CO -0.50 0.00 0.74 0.40 0.37 0.00 0.00 175.52 176.54 2day h ILE 94 N -0.81 0.06 0.00 3.11 2.04 -0.79 0.25 117.51 121.37 2day h ILE 94 Ca -0.07 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2day h ILE 94 Cb 0.66 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2day h ILE 94 CO 0.05 0.01 0.00 0.18 0.00 0.00 0.00 178.15 178.39 2day n LEU 95 N -4.91 0.01 -0.23 1.44 4.77 -0.79 -1.42 117.00 115.87 2day n LEU 95 Ca 0.38 0.83 0.02 0.00 -0.03 0.00 0.00 56.01 57.21 2day n LEU 95 Cb 1.40 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 42.11 2day n LEU 95 CO 0.13 -0.50 0.81 0.06 -1.33 0.00 0.00 177.39 176.56 2day h GLN 96 N 0.00 0.09 -0.25 3.23 3.07 -0.60 0.20 115.11 120.85 2day h GLN 96 Ca 0.00 -0.01 0.05 0.00 0.09 0.00 0.00 58.65 58.79 2day h GLN 96 Cb 0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 27.48 27.49 2day h GLN 96 CO 0.00 0.06 -0.08 0.28 0.09 0.00 0.00 178.83 179.18 2day h VAL 97 N 0.09 0.72 -0.76 1.86 2.07 -0.64 -1.94 116.25 117.65 2day h VAL 97 Ca 0.35 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.83 2day h VAL 97 Cb 0.58 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2day h VAL 97 CO -0.60 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.22 2day h LEU 98 N -0.02 1.04 -0.75 2.57 3.38 0.08 -2.85 115.31 118.76 2day h LEU 98 Ca 0.12 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.07 2day h LEU 98 Cb 0.21 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 2day h LEU 98 CO -0.27 0.92 0.31 1.23 0.09 0.00 0.00 178.44 180.72 2day h GLY 99 N 1.14 1.14 1.00 0.83 0.00 0.10 -2.14 103.07 105.14 2day h GLY 99 Ca 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2day h GLY 99 CO -0.02 -0.08 -0.30 0.45 0.00 0.00 0.00 176.54 176.59 2day h HIS 100 N 0.46 -0.77 -0.86 5.60 3.86 -1.23 -2.88 115.15 119.34 2day h HIS 100 Ca 0.41 -0.02 0.22 0.00 -1.16 0.00 0.00 60.37 59.82 2day h HIS 100 Cb 0.60 0.25 -0.14 0.00 1.06 0.00 0.00 27.41 29.18 2day h HIS 100 CO -0.16 -0.47 0.22 0.28 0.86 0.00 0.00 177.93 178.66 2day h VAL 101 N -0.84 0.34 -0.53 2.45 2.07 -1.40 -1.33 116.25 117.02 2day h VAL 101 Ca -0.08 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.42 2day h VAL 101 Cb 0.64 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 2day h VAL 101 CO 0.14 0.04 -0.56 0.00 0.02 0.00 0.00 177.57 177.21 2day h ALA 102 N 1.76 -0.73 -0.97 1.67 0.00 -1.17 0.99 119.26 120.81 2day h ALA 102 Ca 0.53 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.52 2day h ALA 102 Cb 1.04 1.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.95 2day h ALA 102 CO -0.64 -1.02 0.63 0.87 0.00 0.00 0.00 179.25 179.09 2day h LYS 103 N -0.31 1.10 -0.18 0.00 1.57 -1.28 -0.24 116.57 117.24 2day h LYS 103 Ca 0.09 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2day h LYS 103 Cb 0.55 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2day h LYS 103 CO -0.66 0.73 0.22 0.00 -0.57 0.00 0.00 179.45 179.17 2day h ALA 104 N 1.47 1.75 -0.92 3.86 0.00 -0.29 -1.70 119.26 123.43 2day h ALA 104 Ca 0.41 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.75 2day h ALA 104 Cb 0.16 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.55 2day h ALA 104 CO -0.16 -0.31 -0.64 0.41 0.00 0.00 0.00 179.25 178.56 2day n GLY 105 N -1.38 6.27 3.85 0.00 0.00 -0.11 -5.05 105.19 108.77 2day n GLY 105 Ca 0.02 -2.66 -0.33 0.00 0.00 0.00 0.00 46.02 43.05 2day n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2day s LEU 106 N -3.62 4.09 0.00 0.99 1.43 -0.64 -3.97 118.68 116.96 2day s LEU 106 Ca 0.51 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 2day s LEU 106 Cb 0.42 -4.04 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2day s LEU 106 CO -0.02 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 176.98 2day n GLY 107 N -0.28 2.97 3.31 -3.19 0.00 -1.26 -4.99 105.19 101.75 2day n GLY 107 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 2day n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2day s THR 108 N -2.21 0.34 -0.12 2.61 -4.23 -1.25 -4.92 115.64 105.86 2day s THR 108 Ca 0.00 -2.00 -0.40 0.00 -1.18 0.00 0.00 61.69 58.11 2day s THR 108 Cb 0.00 -2.55 -0.17 0.00 1.34 0.00 0.00 72.50 71.12 2day s THR 108 CO 0.00 0.00 1.48 0.00 -0.54 0.00 0.00 174.62 175.56 2day n ALA 109 N -0.50 -1.10 0.00 3.99 0.00 -1.26 -4.83 120.51 116.81 2day n ALA 109 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2day n ALA 109 Cb 0.65 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2day n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2day n MET 110 N 3.59 1.35 -0.27 0.00 3.85 -1.26 -4.79 117.12 119.58 2day n MET 110 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.93 2day n MET 110 Cb 0.13 -0.92 0.04 0.00 -1.05 0.00 0.00 33.22 31.42 2day n MET 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2day n LEU 111 N -2.10 -0.42 -0.02 3.17 4.77 -1.26 0.60 117.00 121.74 2day n LEU 111 Ca 0.00 1.24 -0.11 0.00 -0.03 0.00 0.00 56.01 57.11 2day n LEU 111 Cb 0.42 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2day n LEU 111 CO 0.00 -1.13 0.60 0.22 -1.33 0.00 0.00 177.39 175.75 2day h TYR 112 N 0.00 -1.12 0.50 -1.77 3.20 -1.95 -0.79 116.97 115.05 2day h TYR 112 Ca 0.27 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 2day h TYR 112 Cb 0.45 0.51 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2day h TYR 112 CO -0.61 -0.45 -0.49 0.93 -1.64 0.00 0.00 178.16 175.90 2day h GLU 113 N -0.44 -0.95 -0.94 1.82 3.07 -0.15 -1.58 114.58 115.40 2day h GLU 113 Ca 0.09 0.06 0.28 0.00 -0.50 0.00 0.00 59.36 59.29 2day h GLU 113 Cb 0.60 0.22 -0.17 0.00 -0.84 0.00 0.00 28.75 28.56 2day h GLU 113 CO -0.41 -0.63 0.18 -0.07 -1.40 0.00 0.00 179.01 176.67 2day h LEU 114 N -0.99 -0.19 -0.33 1.33 3.38 -0.89 0.50 115.31 118.13 2day h LEU 114 Ca -0.06 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2day h LEU 114 Cb 0.85 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2day h LEU 114 CO -0.06 -0.29 0.17 0.40 0.09 0.00 0.00 178.44 178.75 2day h ILE 115 N 0.08 1.15 -0.96 1.22 2.04 -0.62 -2.44 117.51 117.98 2day h ILE 115 Ca 0.61 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 66.08 2day h ILE 115 Cb 1.33 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 2day h ILE 115 CO -0.80 0.16 0.63 -0.33 0.00 0.00 0.00 178.15 177.81 2day h GLU 116 N 0.41 1.22 0.71 2.37 5.08 0.88 -2.78 114.58 122.47 2day h GLU 116 Ca 0.12 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2day h GLU 116 Cb 0.09 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2day h GLU 116 CO -0.02 0.81 -0.40 -0.22 -1.00 0.00 0.00 179.01 178.19 2day h LYS 117 N 1.26 -0.98 -0.64 2.33 1.63 -0.75 -2.59 116.57 116.82 2day h LYS 117 Ca 0.37 0.07 0.06 0.00 -0.85 0.00 0.00 60.65 60.30 2day h LYS 117 Cb -0.08 0.22 -0.10 0.00 -0.60 0.00 0.00 32.23 31.68 2day h LYS 117 CO -0.10 -0.66 -0.56 0.78 -3.45 0.00 0.00 179.45 175.46 2day h GLY 118 N -1.02 -0.96 -0.56 5.01 0.00 -1.35 0.26 103.07 104.44 2day h GLY 118 Ca -0.10 0.76 0.21 0.00 0.00 0.00 0.00 47.33 48.20 2day h GLY 118 CO 0.12 -0.06 0.02 0.50 0.00 0.00 0.00 176.54 177.12 2day h LYS 119 N -0.24 0.08 -0.02 4.80 1.57 -1.50 0.27 116.57 121.54 2day h LYS 119 Ca 0.11 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2day h LYS 119 Cb 0.51 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2day h LYS 119 CO -0.72 0.05 0.00 0.93 -0.57 0.00 0.00 179.45 179.14 2day h GLU 120 N 0.08 0.04 -0.99 3.15 5.08 -0.49 -2.82 114.58 118.63 2day h GLU 120 Ca 0.48 -0.01 0.33 0.00 -1.00 0.00 0.00 59.36 59.16 2day h GLU 120 Cb 0.90 -0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.97 2day h GLU 120 CO -0.75 0.30 0.26 0.82 -1.00 0.00 0.00 179.01 178.64 2day h ILE 121 N -0.24 0.04 -0.22 3.13 2.04 0.15 0.68 117.51 123.10 2day h ILE 121 Ca 0.01 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 2day h ILE 121 Cb 0.29 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2day h ILE 121 CO 0.00 0.01 -0.26 -0.07 0.00 0.00 0.00 178.15 177.83 2day h LEU 122 N 0.03 0.61 0.22 1.44 3.38 -1.34 -3.28 115.31 116.37 2day h LEU 122 Ca 0.70 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2day h LEU 122 Cb 1.63 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2day h LEU 122 CO -0.84 0.98 -0.23 -1.28 0.09 0.00 0.00 178.44 177.16 2day h SER 123 N 0.25 -0.61 -3.35 -0.43 0.87 0.49 -3.41 113.55 107.35 2day h SER 123 Ca 0.03 0.06 -0.64 0.00 -1.23 0.00 0.00 61.79 60.01 2day h SER 123 Cb 0.82 0.21 -0.22 0.00 -0.44 0.00 0.00 62.40 62.77 2day h SER 123 CO 0.06 -0.33 -0.66 -0.83 -0.53 0.00 0.00 176.83 174.54 2day s GLY 124 N -2.31 1.72 -0.71 5.77 0.00 0.22 -4.92 107.32 107.09 2day s GLY 124 Ca -0.16 -0.88 -0.26 0.00 0.00 0.00 0.00 44.72 43.42 2day s GLY 124 CO 0.65 0.06 1.89 2.56 0.00 0.00 0.00 173.10 178.25 2day s PRO 125 N 0.61 2.60 -0.88 2.90 0.04 -1.26 -4.55 135.00 134.47 2day s PRO 125 Ca -0.02 0.31 -0.25 0.00 0.04 0.00 0.00 61.00 61.09 2day s PRO 125 Cb -0.14 -4.61 -0.05 0.00 0.04 0.00 0.00 34.50 29.73 2day s PRO 125 CO 0.02 -2.95 1.98 0.45 0.04 0.00 0.00 177.00 176.55 2day s SER 126 N 8.08 5.05 0.15 6.66 0.15 -1.26 -4.91 113.70 127.62 2day s SER 126 Ca 0.68 -0.57 -0.31 0.00 0.70 0.00 0.00 55.95 56.45 2day s SER 126 Cb -0.11 -2.56 -0.18 0.00 -1.71 0.00 0.00 66.02 61.47 2day s SER 126 CO 0.14 -2.82 0.65 -0.24 1.20 0.00 0.00 173.24 172.16 2day n SER 127 N 14.30 -0.95 0.00 5.45 2.88 -1.26 -5.12 113.62 128.92 2day n SER 127 Ca 0.40 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 2day n SER 127 Cb 0.47 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2day n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42