#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2day h SER 2 N 0.00 0.46 -0.31 1.61 4.64 -2.09 -3.16 113.55 114.70 2day h SER 2 Ca 0.00 -0.26 0.07 0.00 -0.47 0.00 0.00 61.79 61.13 2day h SER 2 Cb 0.00 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 61.89 2day h SER 2 CO 0.00 0.61 -0.27 -1.28 -0.87 0.00 0.00 176.83 175.02 2day h SER 3 N 0.30 -0.90 -3.24 4.97 0.87 -2.12 -3.48 113.55 109.95 2day h SER 3 Ca 0.09 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2day h SER 3 Cb 0.35 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 2day h SER 3 CO 0.01 -0.30 -0.19 0.61 -0.53 0.00 0.00 176.83 176.43 2day n GLY 4 N -1.40 -3.20 3.54 5.77 0.00 -1.20 -5.11 105.19 103.59 2day n GLY 4 Ca 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.09 -0.69 -0.51 1.61 0.15 -1.26 -5.05 113.70 107.85 2day s SER 5 Ca -0.03 1.29 0.02 0.00 0.70 0.00 0.00 55.95 57.93 2day s SER 5 Cb 0.00 1.28 0.44 0.00 -1.71 0.00 0.00 66.02 66.04 2day s SER 5 CO 0.10 -0.22 1.63 -1.54 1.20 0.00 0.00 173.24 174.40 2day n SER 6 N 3.02 6.36 -0.20 5.45 3.41 -1.26 -5.07 113.62 125.32 2day n SER 6 Ca -0.15 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 54.69 2day n SER 6 Cb 0.56 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2day n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2day n GLY 7 N -0.77 0.03 3.92 5.00 0.00 -1.26 -4.73 105.19 107.38 2day n GLY 7 Ca 0.53 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2day n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2day s GLU 8 N 0.00 3.51 0.36 1.61 4.04 -1.26 -5.10 118.70 121.85 2day s GLU 8 Ca 0.00 -0.32 -0.10 0.00 0.04 0.00 0.00 54.97 54.59 2day s GLU 8 Cb 0.00 -2.95 0.04 0.00 0.02 0.00 0.00 34.13 31.24 2day s GLU 8 CO 0.00 0.53 0.64 0.39 -1.84 0.00 0.00 175.26 174.98 2day n GLU 9 N 0.04 0.92 -4.25 -4.83 -0.58 -1.26 -5.16 120.64 105.53 2day n GLU 9 Ca -0.04 -2.27 -0.34 0.00 -0.42 0.00 0.00 57.16 54.08 2day n GLU 9 Cb 0.52 2.58 -0.11 0.00 -0.57 0.00 0.00 31.44 33.85 2day n GLU 9 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2day s ASP 10 N -2.97 5.13 -0.30 1.62 1.01 -1.26 -5.07 116.67 114.83 2day s ASP 10 Ca 0.19 -0.04 -0.17 0.00 0.71 0.00 0.00 52.55 53.25 2day s ASP 10 Cb -0.03 -1.84 0.18 0.00 1.01 0.00 0.00 42.92 42.23 2day s ASP 10 CO 0.14 0.18 1.11 0.86 0.21 0.00 0.00 175.17 177.67 2day s TRP 11 N 0.31 -0.42 0.11 4.23 -0.11 -1.26 -5.05 118.94 116.75 2day s TRP 11 Ca -0.01 0.75 -0.12 0.00 1.22 0.00 0.00 56.10 57.94 2day s TRP 11 Cb -0.13 0.25 -0.11 0.00 -1.50 0.00 0.00 33.47 31.98 2day s TRP 11 CO 0.02 -0.21 1.38 0.28 -4.62 0.00 0.00 176.95 173.80 2day h VAL 12 N 5.26 1.28 -0.85 5.86 2.07 -1.98 -3.09 116.25 124.80 2day h VAL 12 Ca -0.17 -1.75 0.08 0.00 0.82 0.00 0.00 66.70 65.68 2day h VAL 12 Cb 1.13 1.71 -0.10 0.00 -1.52 0.00 0.00 31.29 32.51 2day h VAL 12 CO 0.10 0.57 -0.50 -0.11 0.02 0.00 0.00 177.57 177.65 2day n LEU 13 N -4.03 -0.90 0.23 2.57 7.94 -1.26 0.11 117.00 121.65 2day n LEU 13 Ca -0.05 1.54 0.10 0.00 -1.11 0.00 0.00 56.01 56.48 2day n LEU 13 Cb 0.63 -0.21 0.50 0.00 0.53 0.00 0.00 43.42 44.88 2day n LEU 13 CO 0.50 -1.24 0.82 1.55 -1.11 0.00 0.00 177.39 177.91 2day h PRO 14 N 0.00 0.00 0.00 1.96 0.13 -1.99 -1.77 132.00 130.33 2day h PRO 14 Ca 0.14 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 2day h PRO 14 Cb 0.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 2day h PRO 14 CO -0.80 0.23 -0.38 1.03 -0.23 0.00 0.00 178.00 177.85 2day h SER 15 N 0.00 0.00 0.06 1.44 0.87 0.85 -3.01 113.55 113.76 2day h SER 15 Ca -0.00 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.22 2day h SER 15 Cb 0.66 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 2day h SER 15 CO 0.03 0.38 -1.91 1.21 -0.53 0.00 0.00 176.83 176.02 2day n GLU 16 N -3.90 0.67 -0.34 2.24 4.07 0.19 -4.23 120.64 119.34 2day n GLU 16 Ca -0.01 0.34 0.23 0.00 -0.06 0.00 0.00 57.16 57.65 2day n GLU 16 Cb 0.44 -1.67 0.50 0.00 -0.06 0.00 0.00 31.44 30.64 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 -0.35 0.48 -0.77 6.31 2.07 -1.36 0.53 116.25 123.16 2day h VAL 17 Ca -0.45 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 66.94 2day h VAL 17 Cb 1.76 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2day h VAL 17 CO -0.07 0.07 0.51 1.05 0.02 0.00 0.00 177.57 179.15 2day h GLU 18 N 0.40 1.01 0.00 1.57 4.11 -1.70 -0.06 114.58 119.91 2day h GLU 18 Ca 0.63 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 59.82 2day h GLU 18 Cb 1.55 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2day h GLU 18 CO -0.35 0.67 -1.18 -0.24 0.07 0.00 0.00 179.01 177.98 2day h VAL 19 N 1.04 0.80 0.39 -1.06 3.04 -0.32 -3.34 116.25 116.80 2day h VAL 19 Ca 0.28 -2.34 -0.02 0.00 -1.01 0.00 0.00 66.70 63.61 2day h VAL 19 Cb -0.12 2.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 2day h VAL 19 CO -0.06 0.46 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.70 2day h LEU 20 N 0.00 -0.44 -0.90 3.16 3.38 -0.01 -3.25 115.31 117.24 2day h LEU 20 Ca -0.12 -0.11 0.25 0.00 0.09 0.00 0.00 57.88 57.99 2day h LEU 20 Cb 1.62 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 42.33 2day h LEU 20 CO 0.07 -0.01 0.17 -0.33 0.09 0.00 0.00 178.44 178.43 2day h GLU 21 N -1.01 0.12 -1.06 1.13 5.08 -1.20 0.73 114.58 118.37 2day h GLU 21 Ca -0.05 -0.01 0.29 0.00 -1.00 0.00 0.00 59.36 58.59 2day h GLU 21 Cb 0.52 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 2day h GLU 21 CO 0.09 0.08 0.67 1.03 -1.00 0.00 0.00 179.01 179.87 2day h SER 22 N 0.12 0.48 0.00 1.42 0.87 -1.68 1.32 113.55 116.08 2day h SER 22 Ca 0.57 0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 61.11 2day h SER 22 Cb 1.18 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 2day h SER 22 CO -0.74 0.03 -1.08 -0.38 -0.53 0.00 0.00 176.83 174.14 2day n ILE 23 N -4.73 1.48 -0.67 2.23 5.41 0.22 -4.36 119.36 118.94 2day n ILE 23 Ca 0.28 0.05 -0.15 0.00 1.00 0.00 0.00 62.75 63.93 2day n ILE 23 Cb 0.93 -2.21 0.05 0.00 -0.71 0.00 0.00 39.64 37.70 2day n ILE 23 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2day n TYR 24 N -4.49 1.46 -0.05 1.39 4.01 0.68 -4.72 117.16 115.44 2day n TYR 24 Ca -0.22 -1.73 -0.01 0.00 -0.16 0.00 0.00 57.90 55.77 2day n TYR 24 Cb 0.51 -0.85 -0.01 0.00 -0.31 0.00 0.00 39.34 38.68 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 0.24 -0.12 -0.10 7.72 4.77 0.45 -0.80 117.00 129.16 2day n LEU 25 Ca 0.28 0.83 -0.19 0.00 -0.03 0.00 0.00 56.01 56.90 2day n LEU 25 Cb 0.69 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 2day n LEU 25 CO 0.34 -0.48 -0.62 -0.90 -1.33 0.00 0.00 177.39 174.41 2day n ASP 26 N -3.07 1.86 -0.39 -1.43 5.75 -1.26 -4.23 116.55 113.79 2day n ASP 26 Ca 0.00 0.45 0.33 0.00 -0.01 0.00 0.00 54.79 55.56 2day n ASP 26 Cb 0.03 -0.92 0.55 0.00 -1.03 0.00 0.00 41.12 39.75 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2day n GLU 27 N -4.45 -0.03 -4.58 0.11 1.02 -1.22 -4.15 120.64 107.35 2day n GLU 27 Ca -0.29 1.01 -0.23 0.00 -0.02 0.00 0.00 57.16 57.63 2day n GLU 27 Cb 0.62 -2.00 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 2day n GLU 27 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2day s LEU 28 N -8.59 2.13 0.23 -4.62 0.20 0.02 -3.23 118.68 104.81 2day s LEU 28 Ca -0.06 -0.43 0.10 0.00 0.69 0.00 0.00 54.13 54.43 2day s LEU 28 Cb 0.25 -0.81 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 2day s LEU 28 CO 0.66 0.13 -0.11 -1.10 -0.29 0.00 0.00 176.35 175.64 2day s GLN 29 N -0.93 1.96 0.04 1.98 1.11 0.80 -4.53 119.66 120.09 2day s GLN 29 Ca 0.05 -1.45 0.02 0.00 0.01 0.00 0.00 55.36 53.99 2day s GLN 29 Cb -0.08 -2.03 -0.02 0.00 -1.01 0.00 0.00 33.01 29.87 2day s GLN 29 CO 0.01 0.39 -0.07 0.08 0.01 0.00 0.00 175.29 175.71 2day s VAL 30 N -2.03 0.50 -0.42 1.09 1.01 -1.26 -1.91 120.40 117.38 2day s VAL 30 Ca 0.27 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2day s VAL 30 Cb -0.07 -0.56 0.12 0.00 0.00 0.00 0.00 36.38 35.87 2day s VAL 30 CO 0.16 -0.32 0.19 -0.63 0.00 0.00 0.00 175.10 174.49 2day s ILE 31 N -1.22 1.70 -0.20 2.22 -1.09 -0.27 -5.00 121.20 117.34 2day s ILE 31 Ca -0.09 -2.49 -0.28 0.00 -2.23 0.00 0.00 60.65 55.56 2day s ILE 31 Cb -0.09 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.53 2day s ILE 31 CO 0.00 -0.79 2.17 -0.54 -1.23 0.00 0.00 174.94 174.55 2day s LYS 32 N 0.52 3.24 1.02 2.79 1.02 -1.26 -3.67 119.74 123.40 2day s LYS 32 Ca 0.15 2.05 -0.20 0.00 0.02 0.00 0.00 55.97 57.99 2day s LYS 32 Cb -0.23 -4.34 -0.07 0.00 -0.52 0.00 0.00 37.83 32.67 2day s LYS 32 CO -0.05 -1.98 -0.59 0.41 -0.92 0.00 0.00 175.35 172.22 2day n GLY 33 N 5.61 -3.16 0.12 -3.33 0.00 -1.26 -4.95 105.19 98.23 2day n GLY 33 Ca 0.28 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 2day n GLY 33 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2day h ASN 34 N -1.36 0.23 -0.22 1.61 -1.24 -1.91 -3.50 115.58 109.19 2day h ASN 34 Ca -0.45 -0.74 0.00 0.00 0.71 0.00 0.00 56.30 55.82 2day h ASN 34 Cb 1.34 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 40.31 2day h ASN 34 CO 0.28 1.66 0.00 0.61 -1.29 0.00 0.00 177.43 178.69 2day n GLY 35 N 1.71 5.77 0.08 1.57 0.00 -1.26 -4.95 105.19 108.10 2day n GLY 35 Ca -0.31 -1.66 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 2day n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2day n ARG 36 N 0.00 0.66 -1.05 1.61 1.74 -1.26 -4.30 116.66 114.06 2day n ARG 36 Ca 0.00 0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 56.98 2day n ARG 36 Cb 0.00 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 29.80 2day n ARG 36 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2day n THR 37 N -2.79 2.92 -3.66 0.55 5.66 -1.26 -4.79 114.28 110.92 2day n THR 37 Ca -0.20 -1.99 -0.07 0.00 -3.05 0.00 0.00 64.05 58.74 2day n THR 37 Cb 0.99 -1.42 -0.08 0.00 -1.55 0.00 0.00 70.33 68.26 2day n THR 37 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2day s SER 38 N 0.26 -0.58 0.97 1.09 0.01 -1.26 -5.11 113.70 109.08 2day s SER 38 Ca 0.39 1.16 -0.12 0.00 1.31 0.00 0.00 55.95 58.69 2day s SER 38 Cb 0.28 1.43 0.17 0.00 0.21 0.00 0.00 66.02 68.11 2day s SER 38 CO -0.06 -0.22 1.09 -2.16 0.41 0.00 0.00 173.24 172.30 2day s PRO 39 N 2.29 0.69 0.57 12.44 0.04 -1.26 -4.78 135.00 144.99 2day s PRO 39 Ca -0.05 0.62 0.01 0.00 0.04 0.00 0.00 61.00 61.61 2day s PRO 39 Cb -0.10 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.72 2day s PRO 39 CO -0.15 -2.58 0.80 -1.58 0.04 0.00 0.00 177.00 173.54 2day s TRP 40 N -2.95 2.73 -0.00 0.56 0.52 -1.04 -4.62 118.94 114.14 2day s TRP 40 Ca 0.65 -0.03 -0.01 0.00 0.02 0.00 0.00 56.10 56.73 2day s TRP 40 Cb -0.18 -2.79 -0.00 0.00 -1.15 0.00 0.00 33.47 29.35 2day s TRP 40 CO 0.57 -0.97 0.01 -2.00 0.02 0.00 0.00 176.95 174.58 2day s GLU 41 N -4.81 0.09 -0.04 4.98 2.12 -1.24 -3.48 118.70 116.32 2day s GLU 41 Ca 0.58 -0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.77 2day s GLU 41 Cb -0.10 0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.34 2day s GLU 41 CO 0.39 -0.01 0.09 0.42 -0.54 0.00 0.00 175.26 175.61 2day s ILE 42 N -0.32 -0.02 0.18 -3.70 1.01 -1.00 -1.11 121.20 116.23 2day s ILE 42 Ca -0.04 0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.78 2day s ILE 42 Cb -0.02 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 2day s ILE 42 CO -0.00 0.03 -0.17 -0.31 0.00 0.00 0.00 174.94 174.49 2day s TYR 43 N 0.50 1.80 -0.28 3.97 2.02 -0.80 -0.92 117.35 123.64 2day s TYR 43 Ca -0.04 -0.49 -0.18 0.00 -0.37 0.00 0.00 57.07 56.00 2day s TYR 43 Cb -0.05 -0.88 0.10 0.00 -0.40 0.00 0.00 41.96 40.72 2day s TYR 43 CO -0.02 0.34 0.78 -1.50 -1.57 0.00 0.00 175.55 173.59 2day s ILE 44 N -2.24 0.00 -0.36 2.71 2.07 -0.90 -0.14 121.20 122.34 2day s ILE 44 Ca 0.17 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.17 2day s ILE 44 Cb -0.05 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.55 2day s ILE 44 CO 0.07 0.00 0.86 -0.89 -1.91 0.00 0.00 174.94 173.06 2day s THR 45 N 1.33 4.67 0.07 4.00 2.01 -1.20 -1.13 115.64 125.40 2day s THR 45 Ca -0.08 1.09 0.05 0.00 0.31 0.00 0.00 61.69 63.06 2day s THR 45 Cb -0.05 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 2day s THR 45 CO -0.15 -0.46 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.06 2day s LEU 46 N 3.26 3.31 -0.09 4.42 2.96 -0.96 -5.00 118.68 126.58 2day s LEU 46 Ca 0.35 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 2day s LEU 46 Cb -0.13 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.58 2day s LEU 46 CO 0.17 0.20 0.22 -1.38 -1.32 0.00 0.00 176.35 174.24 2day s HIS 47 N -1.22 -0.27 0.35 5.38 -3.43 -1.26 -2.42 115.29 112.41 2day s HIS 47 Ca 0.23 0.67 -0.28 0.00 -0.80 0.00 0.00 55.06 54.88 2day s HIS 47 Cb -0.11 0.04 -0.09 0.00 -1.43 0.00 0.00 32.58 30.98 2day s HIS 47 CO 0.15 -0.19 1.21 -1.25 -2.00 0.00 0.00 174.74 172.66 2day s PRO 48 N 0.91 4.30 -0.28 -0.38 0.04 -1.26 -4.96 135.00 133.37 2day s PRO 48 Ca -0.07 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2day s PRO 48 Cb -0.08 -2.95 0.46 0.00 0.04 0.00 0.00 34.50 31.96 2day s PRO 48 CO -0.06 -0.15 1.31 0.00 0.04 0.00 0.00 177.00 178.14 2day n ALA 49 N 0.62 4.48 -0.01 8.56 0.00 -1.26 -4.62 120.51 128.27 2day n ALA 49 Ca 0.01 -3.47 -0.02 0.00 0.00 0.00 0.00 53.44 49.96 2day n ALA 49 Cb 0.44 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.38 2day n ALA 49 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2day n THR 50 N -0.95 0.17 -0.93 0.00 5.66 -1.26 -4.97 114.28 112.00 2day n THR 50 Ca 0.34 -0.07 -0.44 0.00 -3.05 0.00 0.00 64.05 60.83 2day n THR 50 Cb 0.87 -0.66 -0.09 0.00 -1.55 0.00 0.00 70.33 68.90 2day n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2day n ALA 51 N -2.51 0.13 -0.05 1.79 0.00 -1.26 -4.77 120.51 113.83 2day n ALA 51 Ca -0.05 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 2day n ALA 51 Cb 0.56 -1.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 2day n ALA 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2day n GLU 52 N 5.43 0.20 -3.85 0.00 0.28 -1.26 -4.97 120.64 116.48 2day n GLU 52 Ca 0.40 0.09 -0.30 0.00 -0.16 0.00 0.00 57.16 57.19 2day n GLU 52 Cb -0.03 -0.86 -0.15 0.00 1.43 0.00 0.00 31.44 31.83 2day n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2day s ASP 53 N -5.82 4.08 0.21 -1.84 1.01 -1.26 -5.09 116.67 107.97 2day s ASP 53 Ca -0.13 -1.59 -0.10 0.00 0.71 0.00 0.00 52.55 51.43 2day s ASP 53 Cb 0.05 -1.11 -0.01 0.00 1.01 0.00 0.00 42.92 42.87 2day s ASP 53 CO 0.17 -0.36 0.38 -1.10 0.21 0.00 0.00 175.17 174.47 2day s GLN 54 N 1.41 1.38 0.19 8.23 -1.52 -1.26 -5.06 119.66 123.03 2day s GLN 54 Ca 0.05 -1.25 -0.16 0.00 -1.95 0.00 0.00 55.36 52.05 2day s GLN 54 Cb -0.18 0.42 0.15 0.00 -0.22 0.00 0.00 33.01 33.18 2day s GLN 54 CO -0.15 -0.54 1.64 0.22 -0.25 0.00 0.00 175.29 176.20 2day h ASP 55 N 2.38 -0.58 -4.20 5.90 3.58 -1.99 -3.42 116.42 118.08 2day h ASP 55 Ca -0.29 0.16 -0.37 0.00 0.42 0.00 0.00 57.03 56.95 2day h ASP 55 Cb 1.24 0.35 -0.26 0.00 1.72 0.00 0.00 39.33 42.38 2day h ASP 55 CO 0.41 -0.20 -0.77 -0.94 -2.88 0.00 0.00 179.24 174.87 2day s SER 56 N -5.20 1.05 -0.12 2.28 1.04 -1.26 -5.03 113.70 106.46 2day s SER 56 Ca -0.14 -0.28 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 2day s SER 56 Cb 0.16 -0.08 -0.08 0.00 0.10 0.00 0.00 66.02 66.13 2day s SER 56 CO 0.72 0.03 2.83 1.67 0.98 0.00 0.00 173.24 179.47 2day n GLN 57 N 2.42 1.77 -3.86 4.02 -0.06 -1.26 -4.80 117.38 115.62 2day n GLN 57 Ca -0.16 -1.04 -0.15 0.00 -2.00 0.00 0.00 57.00 53.66 2day n GLN 57 Cb 0.56 -1.70 -0.15 0.00 -4.06 0.00 0.00 30.24 24.88 2day n GLN 57 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 2day s TYR 58 N -0.10 0.12 -0.29 3.69 6.14 -1.26 -5.14 117.35 120.50 2day s TYR 58 Ca 0.43 0.05 -0.16 0.00 0.64 0.00 0.00 57.07 58.03 2day s TYR 58 Cb 0.23 -0.23 0.18 0.00 0.42 0.00 0.00 41.96 42.57 2day s TYR 58 CO -0.04 -0.07 1.12 0.54 0.64 0.00 0.00 175.55 177.73 2day s VAL 59 N 0.73 -0.00 -0.08 3.14 0.11 -1.26 -4.53 120.40 118.52 2day s VAL 59 Ca -0.07 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 2day s VAL 59 Cb -0.09 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.87 2day s VAL 59 CO -0.02 0.00 0.92 0.00 -3.33 0.00 0.00 175.10 172.67 2day s PHE 61 N -2.14 -0.02 -0.38 0.00 -0.12 -1.02 -1.56 117.98 112.74 2day s PHE 61 Ca 0.01 -0.05 -0.19 0.00 -0.05 0.00 0.00 56.93 56.65 2day s PHE 61 Cb -0.01 0.00 0.01 0.00 -0.63 0.00 0.00 43.02 42.39 2day s PHE 61 CO -0.03 -0.37 0.55 0.99 -0.05 0.00 0.00 175.22 176.32 2day s THR 62 N -1.75 4.96 -0.29 -4.49 2.01 0.26 -2.25 115.64 114.09 2day s THR 62 Ca -0.11 0.24 -0.26 0.00 0.31 0.00 0.00 61.69 61.87 2day s THR 62 Cb -0.05 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.42 2day s THR 62 CO 0.01 -0.35 0.93 -0.22 -0.69 0.00 0.00 174.62 174.30 2day s LEU 63 N 2.52 4.04 -0.18 4.42 0.20 -0.28 -0.24 118.68 129.15 2day s LEU 63 Ca 0.20 0.96 -0.07 0.00 0.69 0.00 0.00 54.13 55.91 2day s LEU 63 Cb -0.15 -3.32 -0.04 0.00 -0.43 0.00 0.00 46.19 42.25 2day s LEU 63 CO 0.15 -0.69 0.05 -0.69 -0.29 0.00 0.00 176.35 174.87 2day s VAL 64 N 3.20 4.61 -0.28 1.68 1.01 -0.41 -2.11 120.40 128.10 2day s VAL 64 Ca 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2day s VAL 64 Cb -0.14 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.22 2day s VAL 64 CO 0.12 0.46 -0.05 -0.76 0.00 0.00 0.00 175.10 174.87 2day s LEU 65 N 0.43 3.69 -0.60 3.92 1.43 -0.09 -1.87 118.68 125.59 2day s LEU 65 Ca 0.02 -1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 51.62 2day s LEU 65 Cb -0.13 -1.64 0.11 0.00 0.03 0.00 0.00 46.19 44.56 2day s LEU 65 CO 0.01 -0.23 0.70 -1.58 0.23 0.00 0.00 176.35 175.48 2day s GLN 66 N 1.19 3.06 -0.47 1.70 0.74 -0.84 -2.38 119.66 122.65 2day s GLN 66 Ca -0.07 -1.38 -0.23 0.00 0.05 0.00 0.00 55.36 53.73 2day s GLN 66 Cb -0.20 -4.29 0.03 0.00 1.10 0.00 0.00 33.01 29.66 2day s GLN 66 CO -0.03 -1.53 0.82 0.08 -0.55 0.00 0.00 175.29 174.08 2day s VAL 67 N 2.55 4.60 1.15 1.34 1.01 -1.23 -1.03 120.40 128.80 2day s VAL 67 Ca 0.11 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 2day s VAL 67 Cb -0.24 -4.37 0.26 0.00 0.00 0.00 0.00 36.38 32.03 2day s VAL 67 CO 0.05 -0.81 1.10 -2.16 0.00 0.00 0.00 175.10 173.29 2day s PRO 68 N 3.41 -0.82 0.06 2.72 0.04 -1.26 -2.49 135.00 136.66 2day s PRO 68 Ca 0.30 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.23 2day s PRO 68 Cb -0.12 -1.63 -0.11 0.00 0.04 0.00 0.00 34.50 32.67 2day s PRO 68 CO 0.22 -3.47 1.42 0.00 0.04 0.00 0.00 177.00 175.20 2day h ALA 69 N -2.41 0.28 -0.69 8.56 0.00 -1.96 -3.17 119.26 119.86 2day h ALA 69 Ca -0.48 -0.29 0.15 0.00 0.00 0.00 0.00 54.91 54.29 2day h ALA 69 Cb 1.31 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 2day h ALA 69 CO 0.41 0.11 0.12 0.93 0.00 0.00 0.00 179.25 180.82 2day h GLU 70 N 0.11 0.21 -2.90 0.00 4.39 -1.93 -3.44 114.58 111.03 2day h GLU 70 Ca 0.04 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.41 2day h GLU 70 Cb 0.59 -0.05 0.06 0.00 -0.10 0.00 0.00 28.75 29.24 2day h GLU 70 CO 0.03 0.14 -0.28 0.98 -1.16 0.00 0.00 179.01 178.72 2day n TYR 71 N -5.19 -0.33 0.27 4.33 4.19 -1.20 -1.78 117.16 117.44 2day n TYR 71 Ca 0.12 0.45 0.15 0.00 3.31 0.00 0.00 57.90 61.94 2day n TYR 71 Cb 0.42 -0.94 0.65 0.00 0.49 0.00 0.00 39.34 39.97 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 0.45 0.00 -0.63 2.98 0.13 -1.90 -3.45 132.00 129.57 2day h PRO 72 Ca -0.14 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.24 2day h PRO 72 Cb 0.70 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.71 2day h PRO 72 CO 0.27 0.07 0.28 0.72 -0.23 0.00 0.00 178.00 179.11 2day n HIS 73 N -3.21 0.68 -4.31 1.56 8.25 -0.74 -4.14 115.22 113.32 2day n HIS 73 Ca 0.00 0.75 -0.30 0.00 -0.26 0.00 0.00 57.72 57.92 2day n HIS 73 Cb 0.32 -1.15 -0.11 0.00 1.12 0.00 0.00 29.99 30.18 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 -5.07 2.00 0.24 -0.41 2.56 -1.25 -4.91 118.70 111.87 2day s GLU 74 Ca -0.06 -1.07 -0.27 0.00 0.00 0.00 0.00 54.97 53.57 2day s GLU 74 Cb 0.21 -2.22 -0.09 0.00 2.00 0.00 0.00 34.13 34.03 2day s GLU 74 CO 0.50 0.50 0.89 0.14 -0.56 0.00 0.00 175.26 176.73 2day s VAL 75 N -1.15 4.21 0.13 3.70 -7.23 -1.26 -3.80 120.40 114.99 2day s VAL 75 Ca 0.19 1.88 -0.31 0.00 -1.81 0.00 0.00 61.98 61.94 2day s VAL 75 Cb -0.11 -4.17 -0.08 0.00 0.56 0.00 0.00 36.38 32.58 2day s VAL 75 CO 0.11 0.39 1.35 -2.16 -0.31 0.00 0.00 175.10 174.49 2day s PRO 76 N -1.45 4.35 -0.18 4.82 0.04 -1.26 -4.77 135.00 136.54 2day s PRO 76 Ca 0.42 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 2day s PRO 76 Cb -0.23 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 2day s PRO 76 CO 0.28 -0.38 1.85 -1.14 0.04 0.00 0.00 177.00 177.65 2day s GLN 77 N 0.83 3.65 0.20 4.56 -0.44 -0.20 -4.74 119.66 123.52 2day s GLN 77 Ca 0.62 1.91 -0.28 0.00 -2.50 0.00 0.00 55.36 55.11 2day s GLN 77 Cb -0.36 -4.16 -0.08 0.00 -1.64 0.00 0.00 33.01 26.77 2day s GLN 77 CO 0.32 -1.48 0.88 0.42 0.50 0.00 0.00 175.29 175.92 2day s ILE 78 N 5.99 4.24 0.12 -2.34 1.09 -1.26 -1.99 121.20 127.04 2day s ILE 78 Ca 0.83 1.94 -0.12 0.00 -1.10 0.00 0.00 60.65 62.20 2day s ILE 78 Cb -0.30 -4.26 0.01 0.00 -1.06 0.00 0.00 42.46 36.86 2day s ILE 78 CO 0.33 0.49 0.30 -0.44 -0.10 0.00 0.00 174.94 175.52 2day s SER 79 N -1.01 -0.05 -0.07 3.58 0.01 -0.78 -5.02 113.70 110.37 2day s SER 79 Ca 0.40 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 57.15 2day s SER 79 Cb -0.25 0.41 0.01 0.00 0.21 0.00 0.00 66.02 66.41 2day s SER 79 CO 0.30 -0.81 -0.13 -0.63 0.41 0.00 0.00 173.24 172.38 2day s ILE 80 N -3.85 1.18 0.20 1.44 1.01 -1.26 -1.28 121.20 118.63 2day s ILE 80 Ca 0.06 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.31 2day s ILE 80 Cb 0.03 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2day s ILE 80 CO -0.10 0.36 -0.18 -0.13 0.00 0.00 0.00 174.94 174.90 2day s ARG 81 N 0.64 1.76 -1.45 2.79 0.52 0.66 -4.73 118.95 119.14 2day s ARG 81 Ca -0.15 -1.44 -0.04 0.00 -0.52 0.00 0.00 55.73 53.58 2day s ARG 81 Cb -0.16 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.35 2day s ARG 81 CO 0.04 0.41 0.23 0.09 0.02 0.00 0.00 175.30 176.09 2day n ASN 82 N 0.09 -0.18 -4.57 0.23 4.13 -1.26 -0.57 115.26 113.12 2day n ASN 82 Ca -0.11 -1.18 -0.27 0.00 1.68 0.00 0.00 54.58 54.69 2day n ASN 82 Cb 0.56 -2.15 -0.06 0.00 -1.54 0.00 0.00 39.78 36.60 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2day s PRO 83 N -7.06 2.53 0.04 3.52 0.04 -1.26 -4.24 135.00 128.56 2day s PRO 83 Ca 0.07 -0.71 -0.02 0.00 0.04 0.00 0.00 61.00 60.39 2day s PRO 83 Cb -0.03 -5.15 -0.04 0.00 0.04 0.00 0.00 34.50 29.32 2day s PRO 83 CO 0.96 -3.66 0.21 0.50 0.04 0.00 0.00 177.00 175.05 2day s ARG 84 N 6.75 3.45 0.00 4.56 6.06 -0.60 -4.48 118.95 134.70 2day s ARG 84 Ca 0.69 -0.36 0.00 0.00 -2.50 0.00 0.00 55.73 53.56 2day s ARG 84 Cb -0.04 -3.05 0.00 0.00 0.06 0.00 0.00 34.95 31.92 2day s ARG 84 CO 0.06 0.63 0.00 0.41 -2.50 0.00 0.00 175.30 173.90 2day n GLY 85 N 0.55 1.78 3.89 8.12 0.00 -1.26 -1.85 105.19 116.41 2day n GLY 85 Ca -0.07 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 2.99 0.36 0.99 1.43 -1.26 -5.00 118.68 118.19 2day s LEU 86 Ca 0.00 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 2day s LEU 86 Cb 0.00 -3.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 2day s LEU 86 CO 0.00 -1.25 0.23 -0.55 0.23 0.00 0.00 176.35 175.01 2day s SER 87 N -4.33 4.88 0.22 2.29 0.15 -1.26 -4.93 113.70 110.71 2day s SER 87 Ca 0.57 -0.73 -0.11 0.00 0.70 0.00 0.00 55.95 56.38 2day s SER 87 Cb -0.11 -0.74 0.29 0.00 -1.71 0.00 0.00 66.02 63.75 2day s SER 87 CO 0.51 -0.40 1.64 -2.24 1.20 0.00 0.00 173.24 173.95 2day h ASP 88 N 1.37 -0.42 0.16 5.45 2.03 -1.98 0.80 116.42 123.82 2day h ASP 88 Ca -0.43 0.17 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 2day h ASP 88 Cb 1.25 0.33 -0.03 0.00 -0.83 0.00 0.00 39.33 40.06 2day h ASP 88 CO 0.62 -0.17 -0.39 -0.08 -1.03 0.00 0.00 179.24 178.20 2day h GLU 89 N 0.06 -0.58 0.16 4.15 4.57 -2.00 -1.55 114.58 119.39 2day h GLU 89 Ca 0.33 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.56 2day h GLU 89 Cb 0.53 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 2day h GLU 89 CO -0.60 -0.39 -0.45 1.96 -1.18 0.00 0.00 179.01 178.36 2day h GLN 90 N -0.60 -0.68 -0.90 1.92 4.20 -1.80 -0.19 115.11 117.05 2day h GLN 90 Ca -0.02 0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.82 2day h GLN 90 Cb 0.58 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.41 2day h GLN 90 CO -0.17 -0.45 -0.53 -0.89 -0.67 0.00 0.00 178.83 176.12 2day n ILE 91 N -5.48 -0.61 0.15 2.54 5.41 0.22 -0.53 119.36 121.06 2day n ILE 91 Ca -0.08 2.28 -0.13 0.00 1.00 0.00 0.00 62.75 65.82 2day n ILE 91 Cb 0.39 -2.83 -0.06 0.00 -0.71 0.00 0.00 39.64 36.43 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 -0.62 -0.76 1.39 2.76 -1.03 -2.74 115.15 114.15 2day h HIS 92 Ca 0.14 0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.47 2day h HIS 92 Cb 0.37 0.25 -0.14 0.00 1.55 0.00 0.00 27.41 29.43 2day h HIS 92 CO -0.99 -0.34 -0.23 1.15 -1.30 0.00 0.00 177.93 176.22 2day h THR 93 N -0.48 0.20 -0.49 6.26 2.02 0.75 0.70 112.91 121.86 2day h THR 93 Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.29 2day h THR 93 Cb 0.46 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 66.98 2day h THR 93 CO -0.08 0.00 -0.18 0.40 0.37 0.00 0.00 175.52 176.03 2day h ILE 94 N -0.03 0.40 -0.21 3.11 2.04 -0.50 -1.46 117.51 120.87 2day h ILE 94 Ca 0.35 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.25 2day h ILE 94 Cb 0.57 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2day h ILE 94 CO -0.79 0.00 -0.05 -0.07 0.00 0.00 0.00 178.15 177.23 2day h LEU 95 N -0.07 -0.20 -0.43 1.44 3.38 -0.75 -2.83 115.31 115.84 2day h LEU 95 Ca 0.24 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.31 2day h LEU 95 Cb 0.43 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 2day h LEU 95 CO -0.55 -0.07 -0.26 0.00 0.09 0.00 0.00 178.44 177.66 2day n GLN 96 N -5.21 -0.19 0.15 1.13 6.02 -0.56 -0.21 117.38 118.51 2day n GLN 96 Ca -0.02 1.05 -0.15 0.00 -0.01 0.00 0.00 57.00 57.87 2day n GLN 96 Cb 0.13 -1.55 -0.09 0.00 1.02 0.00 0.00 30.24 29.75 2day n GLN 96 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2day h VAL 97 N 0.00 0.00 -1.34 5.09 2.07 -1.45 -1.05 116.25 119.56 2day h VAL 97 Ca 0.07 0.00 0.42 0.00 0.82 0.00 0.00 66.70 68.01 2day h VAL 97 Cb 0.18 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.83 2day h VAL 97 CO -0.41 0.00 0.88 -0.07 0.02 0.00 0.00 177.57 177.99 2day h LEU 98 N -0.73 0.23 -0.75 2.57 3.38 -0.95 0.58 115.31 119.64 2day h LEU 98 Ca -0.02 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2day h LEU 98 Cb 0.69 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 2day h LEU 98 CO -0.19 -0.13 0.45 1.23 0.09 0.00 0.00 178.44 179.89 2day h GLY 99 N 0.11 1.11 0.83 0.83 0.00 0.78 -1.41 103.07 105.31 2day h GLY 99 Ca 0.79 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.64 2day h GLY 99 CO -0.35 0.23 -0.61 0.45 0.00 0.00 0.00 176.54 176.26 2day h HIS 100 N 0.84 0.65 -0.15 5.60 3.86 0.19 -3.33 115.15 122.81 2day h HIS 100 Ca 0.32 -0.34 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 2day h HIS 100 Cb 0.13 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 2day h HIS 100 CO -0.05 1.15 -0.28 0.28 0.86 0.00 0.00 177.93 179.89 2day h VAL 101 N -0.04 0.34 -0.98 2.45 2.07 -1.12 0.16 116.25 119.13 2day h VAL 101 Ca -0.07 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.73 2day h VAL 101 Cb 1.31 0.34 -0.18 0.00 -1.52 0.00 0.00 31.29 31.24 2day h VAL 101 CO 0.12 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.81 2day h ALA 102 N 0.55 1.29 0.07 1.67 0.00 -1.37 0.71 119.26 122.19 2day h ALA 102 Ca 0.10 0.33 -0.25 0.00 0.00 0.00 0.00 54.91 55.09 2day h ALA 102 Cb 0.50 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2day h ALA 102 CO -0.34 -0.61 -1.10 -0.22 0.00 0.00 0.00 179.25 176.98 2day h LYS 103 N 0.02 0.32 0.00 0.00 3.64 -1.41 -3.03 116.57 116.11 2day h LYS 103 Ca 0.62 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2day h LYS 103 Cb 1.34 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2day h LYS 103 CO -0.89 1.16 0.06 0.00 -2.27 0.00 0.00 179.45 177.51 2day n ALA 104 N -2.53 0.90 -1.77 5.00 0.00 0.24 -1.05 120.51 121.30 2day n ALA 104 Ca -0.07 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2day n ALA 104 Cb 0.93 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 19.47 2day n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2day n GLY 105 N -1.40 2.21 3.72 0.00 0.00 -0.77 -5.05 105.19 103.90 2day n GLY 105 Ca -0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.09 3.02 0.00 0.99 1.43 -0.22 -3.60 118.68 119.21 2day s LEU 106 Ca 0.17 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2day s LEU 106 Cb 0.17 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.83 2day s LEU 106 CO -0.02 -2.50 0.00 0.61 0.23 0.00 0.00 176.35 174.67 2day n GLY 107 N -0.32 3.01 3.32 -3.19 0.00 -1.26 -4.99 105.19 101.77 2day n GLY 107 Ca 0.11 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.64 0.00 0.03 2.61 -4.23 -1.24 -4.90 115.64 106.27 2day s THR 108 Ca 0.00 -1.90 -0.33 0.00 -1.18 0.00 0.00 61.69 58.28 2day s THR 108 Cb 0.00 -2.52 -0.17 0.00 1.34 0.00 0.00 72.50 71.15 2day s THR 108 CO 0.00 0.00 0.85 0.00 -0.54 0.00 0.00 174.62 174.93 2day n ALA 109 N -0.55 -3.13 0.00 3.99 0.00 -1.26 -4.85 120.51 114.71 2day n ALA 109 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2day n ALA 109 Cb 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.23 0.28 -0.25 0.00 3.85 -1.26 -4.84 117.12 116.13 2day n MET 110 Ca 0.17 0.00 0.10 0.00 -1.00 0.00 0.00 57.70 56.97 2day n MET 110 Cb 0.09 -0.66 0.21 0.00 -1.05 0.00 0.00 33.22 31.81 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 -1.64 -0.09 0.15 3.17 4.77 -1.26 0.12 117.00 122.22 2day n LEU 111 Ca 0.00 1.21 -0.14 0.00 -0.03 0.00 0.00 56.01 57.06 2day n LEU 111 Cb 0.16 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 2day n LEU 111 CO 0.00 -1.23 0.72 0.22 -1.33 0.00 0.00 177.39 175.77 2day h TYR 112 N 0.00 -0.58 0.14 -1.77 5.03 -1.99 -1.10 116.97 116.69 2day h TYR 112 Ca 0.43 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.74 2day h TYR 112 Cb 0.88 0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.39 2day h TYR 112 CO -0.37 -0.33 -0.07 1.49 -1.32 0.00 0.00 178.16 177.56 2day h GLU 113 N -0.47 -0.19 -0.44 1.82 4.81 0.55 -2.68 114.58 117.99 2day h GLU 113 Ca -0.00 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2day h GLU 113 Cb 0.44 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.77 2day h GLU 113 CO -0.06 -0.12 -0.29 -0.07 -0.73 0.00 0.00 179.01 177.74 2day h LEU 114 N -0.19 -0.96 -0.32 1.64 3.38 -0.72 -1.55 115.31 116.60 2day h LEU 114 Ca -0.02 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.21 2day h LEU 114 Cb 0.15 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2day h LEU 114 CO 0.03 -0.29 -0.25 0.40 0.09 0.00 0.00 178.44 178.41 2day h ILE 115 N -0.20 0.35 -0.77 1.22 2.04 -1.06 -1.59 117.51 117.51 2day h ILE 115 Ca 0.20 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.21 2day h ILE 115 Cb 0.51 0.35 -0.15 0.00 -0.74 0.00 0.00 36.82 36.80 2day h ILE 115 CO -0.55 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 177.04 2day h GLU 116 N -0.23 -0.02 0.11 2.37 5.08 -0.95 -0.60 114.58 120.35 2day h GLU 116 Ca 0.16 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2day h GLU 116 Cb 0.48 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2day h GLU 116 CO -0.45 -0.01 -0.33 0.87 -1.00 0.00 0.00 179.01 178.09 2day h LYS 117 N -0.02 -0.52 -0.57 2.33 1.79 -0.96 -2.75 116.57 115.86 2day h LYS 117 Ca 0.36 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.92 2day h LYS 117 Cb 0.57 0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 31.28 2day h LYS 117 CO -0.81 -0.35 -0.34 0.41 -1.08 0.00 0.00 179.45 177.29 2day n GLY 118 N -1.42 -1.89 0.18 3.86 0.00 -0.24 0.27 105.19 105.95 2day n GLY 118 Ca -0.06 0.76 -0.08 0.00 0.00 0.00 0.00 46.02 46.63 2day n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2day h LYS 119 N 0.00 -0.11 0.37 1.61 1.57 -1.44 -1.97 116.57 116.59 2day h LYS 119 Ca 0.09 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2day h LYS 119 Cb 0.23 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2day h LYS 119 CO -0.54 -0.08 -0.37 0.93 -0.57 0.00 0.00 179.45 178.82 2day h GLU 120 N -0.12 -0.71 -0.96 3.15 4.39 0.11 -2.55 114.58 117.89 2day h GLU 120 Ca 0.13 0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.04 2day h GLU 120 Cb 0.31 0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 28.95 2day h GLU 120 CO -0.30 -0.48 -0.31 0.82 -1.16 0.00 0.00 179.01 177.59 2day h ILE 121 N -0.74 0.03 -0.75 3.13 2.04 -0.13 0.59 117.51 121.68 2day h ILE 121 Ca -0.05 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.97 2day h ILE 121 Cb 0.64 0.03 -0.10 0.00 -0.74 0.00 0.00 36.82 36.65 2day h ILE 121 CO -0.05 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.27 2day h LEU 122 N -0.01 0.15-10.36 1.44 3.38 -1.08 -3.42 115.31 105.41 2day h LEU 122 Ca 0.40 0.13 -0.48 0.00 0.09 0.00 0.00 57.88 58.02 2day h LEU 122 Cb 0.65 0.14 0.04 0.00 0.09 0.00 0.00 40.66 41.58 2day h LEU 122 CO -0.97 0.03 0.11 -0.44 0.09 0.00 0.00 178.44 177.26 2day s SER 123 N -5.28 5.91 0.00 -0.43 0.01 0.20 -4.78 113.70 109.34 2day s SER 123 Ca -0.13 0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2day s SER 123 Cb 0.21 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.52 2day s SER 123 CO 0.76 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2day n GLY 124 N -2.38 -1.82 3.63 3.44 0.00 -1.26 -4.83 105.19 101.96 2day n GLY 124 Ca 0.02 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 2day n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2day s PRO 125 N -2.29 3.87 -0.37 1.61 0.04 -1.26 -4.90 135.00 131.69 2day s PRO 125 Ca 0.00 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.81 2day s PRO 125 Cb 0.00 -4.01 0.45 0.00 0.04 0.00 0.00 34.50 30.98 2day s PRO 125 CO 0.00 -1.20 1.27 0.45 0.04 0.00 0.00 177.00 177.56 2day n SER 126 N 8.17 5.21 -4.40 6.66 2.88 -1.26 -5.03 113.62 125.85 2day n SER 126 Ca 0.18 -3.75 -0.28 0.00 -1.33 0.00 0.00 58.87 53.69 2day n SER 126 Cb 0.45 -0.44 -0.13 0.00 -0.75 0.00 0.00 64.21 63.34 2day n SER 126 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2day s SER 127 N -3.36 3.38 0.00 -3.46 0.01 -1.26 -4.99 113.70 104.03 2day s SER 127 Ca 0.52 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2day s SER 127 Cb 0.42 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2day s SER 127 CO -0.03 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.40