#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 6.16 0.24 1.61 0.15 -1.26 -5.04 113.70 115.57 2day s SER 2 Ca 0.00 -1.40 -0.19 0.00 0.70 0.00 0.00 55.95 55.05 2day s SER 2 Cb 0.00 -2.20 -0.13 0.00 -1.71 0.00 0.00 66.02 61.98 2day s SER 2 CO 0.00 -0.73 0.24 -1.20 1.20 0.00 0.00 173.24 172.75 2day n SER 3 N 5.32 -1.65 -0.70 5.45 7.64 -1.26 -4.96 113.62 123.46 2day n SER 3 Ca -0.12 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.53 2day n SER 3 Cb 0.43 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2day n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2day n GLY 4 N 1.73 0.39 2.68 0.23 0.00 -1.26 -5.07 105.19 103.89 2day n GLY 4 Ca 0.12 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.11 1.92 0.28 1.61 0.15 -1.26 -5.13 113.70 110.17 2day s SER 5 Ca 0.00 -0.33 -0.29 0.00 0.70 0.00 0.00 55.95 56.03 2day s SER 5 Cb 0.00 -0.31 -0.10 0.00 -1.71 0.00 0.00 66.02 63.89 2day s SER 5 CO 0.00 -0.28 1.38 -0.44 1.20 0.00 0.00 173.24 175.10 2day s SER 6 N 2.06 6.70 0.00 5.45 0.01 -1.26 -4.96 113.70 121.70 2day s SER 6 Ca 0.03 2.68 0.00 0.00 1.31 0.00 0.00 55.95 59.97 2day s SER 6 Cb -0.14 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2day s SER 6 CO -0.06 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2day n GLY 7 N 1.59 3.58 3.69 3.44 0.00 -1.26 -5.11 105.19 111.12 2day n GLY 7 Ca 0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.07 4.20 -0.09 1.61 1.03 -1.26 -4.99 118.70 118.13 2day s GLU 8 Ca 0.00 2.29 -0.04 0.00 0.03 0.00 0.00 54.97 57.25 2day s GLU 8 Cb 0.00 -3.61 0.05 0.00 -0.80 0.00 0.00 34.13 29.77 2day s GLU 8 CO 0.00 -0.72 0.21 -2.00 -1.33 0.00 0.00 175.26 171.41 2day s GLU 9 N 2.66 0.13 1.16 -4.83 2.12 -1.26 -5.15 118.70 113.52 2day s GLU 9 Ca 0.73 0.53 -0.17 0.00 0.36 0.00 0.00 54.97 56.42 2day s GLU 9 Cb -0.39 -0.15 0.18 0.00 0.26 0.00 0.00 34.13 34.04 2day s GLU 9 CO 0.32 -0.21 0.32 -3.47 -0.54 0.00 0.00 175.26 171.68 2day n ASP 10 N 4.63 -2.57 -3.86 -1.70 -0.08 -1.26 -5.03 116.55 106.68 2day n ASP 10 Ca -0.18 -0.27 -0.23 0.00 -1.51 0.00 0.00 54.79 52.60 2day n ASP 10 Cb 0.51 -0.98 -0.17 0.00 2.34 0.00 0.00 41.12 42.82 2day n ASP 10 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2day s TRP 11 N -2.22 0.95 0.08 -0.67 -0.11 -1.26 -5.02 118.94 110.68 2day s TRP 11 Ca 0.56 -0.34 -0.12 0.00 1.22 0.00 0.00 56.10 57.42 2day s TRP 11 Cb -0.13 -0.89 -0.22 0.00 -1.50 0.00 0.00 33.47 30.73 2day s TRP 11 CO 0.60 -0.33 1.20 0.28 -4.62 0.00 0.00 176.95 174.08 2day h VAL 12 N 6.21 1.31 -0.92 5.86 2.07 -1.96 -3.12 116.25 125.70 2day h VAL 12 Ca -0.28 -2.35 0.08 0.00 0.82 0.00 0.00 66.70 64.97 2day h VAL 12 Cb 1.14 2.46 -0.11 0.00 -1.52 0.00 0.00 31.29 33.26 2day h VAL 12 CO 0.37 0.72 -0.54 -0.11 0.02 0.00 0.00 177.57 178.03 2day n LEU 13 N -3.81 -0.98 0.20 2.57 7.94 -1.26 0.34 117.00 122.00 2day n LEU 13 Ca -0.11 1.68 0.06 0.00 -1.11 0.00 0.00 56.01 56.53 2day n LEU 13 Cb 0.90 -0.23 0.40 0.00 0.53 0.00 0.00 43.42 45.02 2day n LEU 13 CO 0.55 -1.36 0.73 1.55 -1.11 0.00 0.00 177.39 177.76 2day h PRO 14 N 0.00 0.00 -0.01 1.96 0.13 -2.00 -2.51 132.00 129.57 2day h PRO 14 Ca 0.15 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.21 2day h PRO 14 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 2day h PRO 14 CO -0.87 0.34 -0.30 1.03 -0.23 0.00 0.00 178.00 177.98 2day h SER 15 N 0.00 0.01 0.27 1.44 0.87 -0.04 -2.97 113.55 113.13 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 0.75 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2day h SER 15 CO 0.04 0.31 -1.77 -0.08 -0.53 0.00 0.00 176.83 174.80 2day h GLU 16 N 0.01 0.27 0.05 2.24 4.81 -0.65 -3.38 114.58 117.92 2day h GLU 16 Ca -0.00 -0.47 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2day h GLU 16 Cb 0.53 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2day h GLU 16 CO 0.04 1.15 -0.22 0.28 -0.73 0.00 0.00 179.01 179.53 2day h VAL 17 N 0.07 0.00 -1.35 0.32 2.07 -1.31 0.31 116.25 116.35 2day h VAL 17 Ca -0.34 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.58 2day h VAL 17 Cb 2.05 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 2day h VAL 17 CO 0.14 0.00 1.30 1.05 0.02 0.00 0.00 177.57 180.07 2day h GLU 18 N -0.31 0.00 0.09 1.57 4.11 -1.73 1.07 114.58 119.39 2day h GLU 18 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.14 2day h GLU 18 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2day h GLU 18 CO -0.12 0.00 -1.53 0.28 0.07 0.00 0.00 179.01 177.71 2day h VAL 19 N 0.00 0.90 0.22 -1.06 2.07 -1.17 -3.36 116.25 113.84 2day h VAL 19 Ca 0.64 -2.33 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 2day h VAL 19 Cb 3.23 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 35.55 2day h VAL 19 CO -0.01 0.67 -0.11 -0.07 0.02 0.00 0.00 177.57 178.08 2day h LEU 20 N -0.35 -0.25 -0.98 2.57 3.38 0.46 -2.96 115.31 117.18 2day h LEU 20 Ca -0.35 -0.10 0.30 0.00 0.09 0.00 0.00 57.88 57.82 2day h LEU 20 Cb 1.73 0.07 -0.18 0.00 0.09 0.00 0.00 40.66 42.37 2day h LEU 20 CO 0.01 -0.05 0.16 -0.33 0.09 0.00 0.00 178.44 178.31 2day h GLU 21 N -0.45 0.03 -0.88 1.13 4.39 -1.00 0.96 114.58 118.77 2day h GLU 21 Ca -0.03 -0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.85 2day h GLU 21 Cb 0.34 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.87 2day h GLU 21 CO 0.05 0.02 0.43 0.77 -1.16 0.00 0.00 179.01 179.12 2day h SER 22 N 0.03 0.46 0.00 1.42 0.02 -1.67 1.01 113.55 114.83 2day h SER 22 Ca 0.64 0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.65 2day h SER 22 Cb 1.41 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2day h SER 22 CO -0.86 0.13 -0.57 0.40 -1.14 0.00 0.00 176.83 174.80 2day h ILE 23 N 0.53 0.46 -0.68 3.27 2.04 0.62 -3.37 117.51 120.39 2day h ILE 23 Ca 0.51 -1.49 -0.40 0.00 1.00 0.00 0.00 64.86 64.48 2day h ILE 23 Cb 0.84 1.01 -0.16 0.00 -0.74 0.00 0.00 36.82 37.77 2day h ILE 23 CO -0.43 0.16 0.46 -1.22 0.00 0.00 0.00 178.15 177.12 2day n TYR 24 N -4.60 1.74 -0.32 1.37 4.01 0.13 -4.73 117.16 114.76 2day n TYR 24 Ca -0.13 -2.08 -0.08 0.00 -0.16 0.00 0.00 57.90 55.45 2day n TYR 24 Cb 0.36 -1.11 -0.08 0.00 -0.31 0.00 0.00 39.34 38.20 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 0.33 -0.81 -0.11 7.72 4.77 0.35 -1.48 117.00 127.77 2day n LEU 25 Ca 0.38 1.54 -0.22 0.00 -0.03 0.00 0.00 56.01 57.69 2day n LEU 25 Cb 0.58 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 2day n LEU 25 CO 0.41 -1.20 -0.91 -0.67 -1.33 0.00 0.00 177.39 173.69 2day n ASP 26 N -4.76 1.90 -0.28 -1.43 2.03 -1.26 -4.49 116.55 108.26 2day n ASP 26 Ca 0.02 0.40 -0.01 0.00 0.52 0.00 0.00 54.79 55.71 2day n ASP 26 Cb 0.20 -0.87 0.02 0.00 -0.72 0.00 0.00 41.12 39.75 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2day n GLU 27 N -4.38 -0.18 -4.04 -0.67 1.02 -1.23 -4.29 120.64 106.87 2day n GLU 27 Ca -0.37 1.12 -0.30 0.00 -0.02 0.00 0.00 57.16 57.59 2day n GLU 27 Cb 0.70 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 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 -10.12 3.84 0.12 -4.62 0.20 -0.55 -3.58 118.68 103.96 2day s LEU 28 Ca -0.10 -0.00 0.08 0.00 0.69 0.00 0.00 54.13 54.80 2day s LEU 28 Cb 0.14 -2.51 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 2day s LEU 28 CO 0.52 0.16 -0.18 -1.10 -0.29 0.00 0.00 176.35 175.45 2day s GLN 29 N -2.46 1.11 0.03 1.98 1.11 0.83 -4.60 119.66 117.66 2day s GLN 29 Ca 0.30 -1.21 0.03 0.00 0.01 0.00 0.00 55.36 54.49 2day s GLN 29 Cb -0.12 -1.24 -0.02 0.00 -1.01 0.00 0.00 33.01 30.62 2day s GLN 29 CO 0.23 0.27 -0.09 0.08 0.01 0.00 0.00 175.29 175.79 2day s VAL 30 N -1.53 0.65 -0.37 1.09 1.01 -1.26 -1.37 120.40 118.62 2day s VAL 30 Ca 0.08 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2day s VAL 30 Cb -0.08 -0.64 0.11 0.00 0.00 0.00 0.00 36.38 35.76 2day s VAL 30 CO 0.04 -0.18 0.10 -0.63 0.00 0.00 0.00 175.10 174.44 2day s ILE 31 N -0.97 2.53 -0.46 2.22 -1.09 0.12 -4.97 121.20 118.58 2day s ILE 31 Ca -0.04 -2.37 -0.27 0.00 -2.23 0.00 0.00 60.65 55.74 2day s ILE 31 Cb -0.08 -2.82 -0.08 0.00 -1.58 0.00 0.00 42.46 37.90 2day s ILE 31 CO 0.01 -0.64 2.39 0.29 -1.23 0.00 0.00 174.94 175.76 2day n LYS 32 N 4.23 1.18 -2.08 2.79 4.76 -1.26 -3.55 118.16 124.23 2day n LYS 32 Ca 0.03 0.11 -0.42 0.00 -2.87 0.00 0.00 58.31 55.16 2day n LYS 32 Cb 0.41 -3.27 -0.03 0.00 -1.84 0.00 0.00 35.03 30.30 2day n LYS 32 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2day s GLY 33 N 11.13 1.75 -0.61 0.72 0.00 -1.26 -4.96 107.32 114.08 2day s GLY 33 Ca 1.01 1.10 -0.19 0.00 0.00 0.00 0.00 44.72 46.64 2day s GLY 33 CO 0.30 2.62 0.74 0.21 0.00 0.00 0.00 173.10 176.97 2day s ASN 34 N 1.82 6.21 0.00 1.64 2.47 -1.26 -4.89 114.94 120.92 2day s ASN 34 Ca 0.68 -1.45 0.00 0.00 0.42 0.00 0.00 52.86 52.51 2day s ASN 34 Cb -0.37 -2.31 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 2day s ASN 34 CO 0.30 -1.13 0.00 0.61 -3.72 0.00 0.00 177.10 173.16 2day n GLY 35 N 5.26 4.29 0.30 1.21 0.00 -1.26 -4.82 105.19 110.16 2day n GLY 35 Ca -0.08 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.07 2day n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2day h ARG 36 N 0.00 0.60 -1.20 1.61 3.08 -2.02 0.69 114.38 117.15 2day h ARG 36 Ca 0.00 -0.04 -0.24 0.00 0.07 0.00 0.00 59.98 59.77 2day h ARG 36 Cb 0.00 -0.14 -0.13 0.00 0.08 0.00 0.00 29.97 29.79 2day h ARG 36 CO 0.00 0.40 0.31 -2.37 -1.07 0.00 0.00 179.97 177.24 2day n THR 37 N -4.87 2.18 -3.97 2.04 5.66 -1.26 -4.80 114.28 109.27 2day n THR 37 Ca 0.15 -1.04 -0.28 0.00 -3.05 0.00 0.00 64.05 59.83 2day n THR 37 Cb 0.38 -0.97 -0.17 0.00 -1.55 0.00 0.00 70.33 68.02 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 0.16 2.37 1.18 1.09 0.01 0.23 -5.11 113.70 113.63 2day s SER 38 Ca 0.25 -0.38 -0.18 0.00 1.31 0.00 0.00 55.95 56.95 2day s SER 38 Cb 0.20 -0.98 0.27 0.00 0.21 0.00 0.00 66.02 65.73 2day s SER 38 CO 0.03 -0.09 1.11 -2.16 0.41 0.00 0.00 173.24 172.54 2day s PRO 39 N 1.60 -1.01 0.23 12.44 0.04 -1.26 -4.79 135.00 142.25 2day s PRO 39 Ca 0.05 0.00 0.08 0.00 0.04 0.00 0.00 61.00 61.17 2day s PRO 39 Cb -0.13 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2day s PRO 39 CO -0.09 -3.59 0.06 -1.58 0.04 0.00 0.00 177.00 171.84 2day s TRP 40 N -3.01 2.88 0.02 0.56 0.52 -0.88 -4.31 118.94 114.73 2day s TRP 40 Ca 0.70 -0.16 0.04 0.00 0.02 0.00 0.00 56.10 56.71 2day s TRP 40 Cb -0.11 -1.32 -0.02 0.00 -1.15 0.00 0.00 33.47 30.88 2day s TRP 40 CO 0.56 0.56 -0.13 -2.00 0.02 0.00 0.00 176.95 175.96 2day s GLU 41 N -3.50 0.95 -0.10 4.98 2.56 -1.23 -2.50 118.70 119.85 2day s GLU 41 Ca 0.31 -0.66 -0.06 0.00 0.00 0.00 0.00 54.97 54.56 2day s GLU 41 Cb -0.08 -0.94 0.04 0.00 2.00 0.00 0.00 34.13 35.16 2day s GLU 41 CO 0.21 0.24 0.25 0.42 -0.56 0.00 0.00 175.26 175.82 2day s ILE 42 N -0.68 -0.03 0.28 -3.70 1.01 -1.11 0.13 121.20 117.10 2day s ILE 42 Ca 0.02 0.12 0.12 0.00 0.00 0.00 0.00 60.65 60.91 2day s ILE 42 Cb -0.07 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 2day s ILE 42 CO 0.01 0.05 -0.19 -0.31 0.00 0.00 0.00 174.94 174.49 2day s TYR 43 N 1.07 2.29 -0.08 3.97 1.51 -0.47 -0.79 117.35 124.85 2day s TYR 43 Ca -0.08 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 2day s TYR 43 Cb -0.09 -1.01 0.07 0.00 -0.11 0.00 0.00 41.96 40.82 2day s TYR 43 CO -0.07 0.71 0.69 -1.50 -1.11 0.00 0.00 175.55 174.26 2day s ILE 44 N -2.52 0.00 -0.33 2.71 2.07 -1.07 -0.12 121.20 121.93 2day s ILE 44 Ca 0.30 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.49 2day s ILE 44 Cb -0.05 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.59 2day s ILE 44 CO 0.15 0.00 0.09 -0.89 -1.91 0.00 0.00 174.94 172.38 2day s THR 45 N -0.95 3.56 0.07 4.00 2.01 -1.23 -1.52 115.64 121.56 2day s THR 45 Ca -0.09 -1.25 0.06 0.00 0.31 0.00 0.00 61.69 60.71 2day s THR 45 Cb -0.01 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 2day s THR 45 CO 0.09 -0.19 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.97 2day s LEU 46 N 1.35 3.04 0.03 4.42 1.43 -1.20 -5.03 118.68 122.72 2day s LEU 46 Ca -0.02 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2day s LEU 46 Cb -0.20 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 2day s LEU 46 CO 0.01 0.22 0.15 -1.38 0.23 0.00 0.00 176.35 175.58 2day s HIS 47 N -1.12 0.11 -0.57 0.29 -3.43 -1.26 -3.26 115.29 106.05 2day s HIS 47 Ca 0.20 -0.35 -0.27 0.00 -0.80 0.00 0.00 55.06 53.84 2day s HIS 47 Cb -0.11 -0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 30.94 2day s HIS 47 CO 0.11 -0.38 1.84 -1.25 -2.00 0.00 0.00 174.74 173.06 2day s PRO 48 N -2.40 2.76 -0.22 -0.38 0.04 -1.26 -4.86 135.00 128.67 2day s PRO 48 Ca -0.06 0.73 -0.02 0.00 0.04 0.00 0.00 61.00 61.68 2day s PRO 48 Cb -0.02 -4.35 0.04 0.00 0.04 0.00 0.00 34.50 30.21 2day s PRO 48 CO -0.03 -2.57 2.48 0.00 0.04 0.00 0.00 177.00 176.92 2day n ALA 49 N 12.28 5.40 -0.00 8.56 0.00 -1.26 -3.76 120.51 141.72 2day n ALA 49 Ca 0.21 -1.63 0.01 0.00 0.00 0.00 0.00 53.44 52.03 2day n ALA 49 Cb 0.51 -1.64 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 1.13 0.04 -2.17 0.00 5.66 -1.26 -5.01 114.28 112.67 2day n THR 50 Ca 0.30 -0.10 -0.42 0.00 -3.05 0.00 0.00 64.05 60.78 2day n THR 50 Cb 0.62 0.19 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 2day n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2day s ALA 51 N -2.24 3.59 -0.57 1.79 0.00 -1.25 -4.90 121.76 118.19 2day s ALA 51 Ca -0.01 1.00 0.24 0.00 0.00 0.00 0.00 51.96 53.19 2day s ALA 51 Cb 0.02 -3.59 0.48 0.00 0.00 0.00 0.00 23.12 20.04 2day s ALA 51 CO 0.16 -0.83 1.55 1.05 0.00 0.00 0.00 175.76 177.69 2day h GLU 52 N 7.54 0.00 -3.75 0.00 9.09 -1.96 -3.44 114.58 122.06 2day h GLU 52 Ca -0.40 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 58.71 2day h GLU 52 Cb 1.19 0.00 -0.32 0.00 -1.65 0.00 0.00 28.75 27.97 2day h GLU 52 CO 0.89 0.00 -0.74 0.34 0.05 0.00 0.00 179.01 179.55 2day s ASP 53 N -5.05 0.26 -0.28 3.06 2.15 -1.26 -5.04 116.67 110.50 2day s ASP 53 Ca 0.07 -0.01 0.12 0.00 0.43 0.00 0.00 52.55 53.16 2day s ASP 53 Cb 0.10 -0.12 0.48 0.00 -0.30 0.00 0.00 42.92 43.08 2day s ASP 53 CO 0.67 -0.06 1.16 1.67 -0.17 0.00 0.00 175.17 178.43 2day n GLN 54 N 3.76 2.97 -0.17 4.34 7.27 -1.26 -4.91 117.38 129.39 2day n GLN 54 Ca -0.22 -3.95 -0.11 0.00 0.07 0.00 0.00 57.00 52.79 2day n GLN 54 Cb 0.53 -2.05 -0.08 0.00 2.41 0.00 0.00 30.24 31.05 2day n GLN 54 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2day h ASP 55 N 2.34 -1.59 0.00 1.69 3.32 -2.01 -3.41 116.42 116.76 2day h ASP 55 Ca 0.20 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2day h ASP 55 Cb 1.44 0.66 0.00 0.00 0.22 0.00 0.00 39.33 41.65 2day h ASP 55 CO 0.57 -0.30 -0.49 -1.20 -1.72 0.00 0.00 179.24 176.10 2day n SER 56 N -4.87 0.25 -4.59 6.45 7.64 -1.26 -5.06 113.62 112.18 2day n SER 56 Ca -0.02 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.29 2day n SER 56 Cb 0.26 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.39 2day n SER 56 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2day n GLN 57 N -2.65 0.60 -4.12 1.43 7.27 -1.26 -4.96 117.38 113.69 2day n GLN 57 Ca 0.00 0.22 -0.10 0.00 0.07 0.00 0.00 57.00 57.19 2day n GLN 57 Cb 0.25 -1.80 -0.10 0.00 2.41 0.00 0.00 30.24 31.00 2day n GLN 57 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 2day s TYR 58 N 0.96 0.72 -0.29 3.69 6.14 -1.26 -4.79 117.35 122.52 2day s TYR 58 Ca 0.91 -0.89 -0.16 0.00 0.64 0.00 0.00 57.07 57.57 2day s TYR 58 Cb -1.14 -0.45 0.15 0.00 0.42 0.00 0.00 41.96 40.93 2day s TYR 58 CO 0.57 -0.21 0.98 0.54 0.64 0.00 0.00 175.55 178.06 2day s VAL 59 N -3.34 -0.00 0.07 3.14 0.11 -1.26 -4.48 120.40 114.64 2day s VAL 59 Ca 0.06 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.85 2day s VAL 59 Cb 0.03 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.97 2day s VAL 59 CO -0.05 0.00 0.75 0.00 -3.33 0.00 0.00 175.10 172.46 2day s PHE 61 N -3.39 -0.33 -0.42 0.00 -0.71 -1.20 -2.28 117.98 109.64 2day s PHE 61 Ca 0.03 0.76 -0.20 0.00 -1.04 0.00 0.00 56.93 56.47 2day s PHE 61 Cb -0.01 0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.94 2day s PHE 61 CO -0.11 -0.23 0.62 0.99 -1.34 0.00 0.00 175.22 175.15 2day s THR 62 N -0.19 4.86 -0.48 -4.49 2.01 -1.12 -3.27 115.64 112.95 2day s THR 62 Ca -0.03 0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.84 2day s THR 62 Cb -0.03 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.34 2day s THR 62 CO 0.01 -0.53 1.04 -0.22 -0.69 0.00 0.00 174.62 174.23 2day s LEU 63 N 2.74 3.81 -0.29 4.42 0.20 -0.58 -2.33 118.68 126.65 2day s LEU 63 Ca 0.22 0.25 -0.13 0.00 0.69 0.00 0.00 54.13 55.16 2day s LEU 63 Cb -0.14 -3.34 -0.04 0.00 -0.43 0.00 0.00 46.19 42.24 2day s LEU 63 CO 0.18 -1.18 0.28 -0.69 -0.29 0.00 0.00 176.35 174.65 2day s VAL 64 N 4.16 5.24 -0.44 1.68 1.01 -1.11 -2.60 120.40 128.33 2day s VAL 64 Ca 0.42 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 2day s VAL 64 Cb -0.09 -3.65 0.11 0.00 0.00 0.00 0.00 36.38 32.75 2day s VAL 64 CO 0.29 0.13 0.28 -0.76 0.00 0.00 0.00 175.10 175.04 2day s LEU 65 N 1.90 5.46 -0.65 3.92 1.43 0.03 -3.11 118.68 127.66 2day s LEU 65 Ca 0.10 -1.89 -0.22 0.00 -1.03 0.00 0.00 54.13 51.10 2day s LEU 65 Cb -0.16 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.19 2day s LEU 65 CO 0.11 -0.62 0.90 -1.58 0.23 0.00 0.00 176.35 175.39 2day s GLN 66 N 1.30 3.10 -0.47 1.70 0.74 -1.18 -2.75 119.66 122.10 2day s GLN 66 Ca 0.06 -0.97 -0.25 0.00 0.05 0.00 0.00 55.36 54.25 2day s GLN 66 Cb -0.25 -4.25 0.03 0.00 1.10 0.00 0.00 33.01 29.64 2day s GLN 66 CO -0.02 -1.75 0.90 0.08 -0.55 0.00 0.00 175.29 173.95 2day s VAL 67 N 3.70 4.50 0.64 1.34 1.01 -1.04 -1.67 120.40 128.88 2day s VAL 67 Ca 0.20 0.65 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 2day s VAL 67 Cb -0.18 -4.42 0.16 0.00 0.00 0.00 0.00 36.38 31.93 2day s VAL 67 CO 0.09 -0.83 0.56 -0.81 0.00 0.00 0.00 175.10 174.11 2day n PRO 68 N 7.10 -2.13 -0.06 2.72 -0.04 -1.26 -2.07 135.00 139.26 2day n PRO 68 Ca 0.05 -0.90 -0.15 0.00 -0.04 0.00 0.00 63.50 62.45 2day n PRO 68 Cb 0.48 -0.85 -0.05 0.00 -0.04 0.00 0.00 33.50 33.05 2day n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2day h ALA 69 N -2.39 0.43 -0.41 0.55 0.00 -1.96 -3.24 119.26 112.24 2day h ALA 69 Ca -0.21 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 54.23 2day h ALA 69 Cb 0.65 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 2day h ALA 69 CO 0.14 0.68 0.05 0.93 0.00 0.00 0.00 179.25 181.06 2day h GLU 70 N 0.63 0.17 -3.10 0.00 3.07 -1.93 -3.44 114.58 109.98 2day h GLU 70 Ca -0.00 -0.01 -0.34 0.00 -0.50 0.00 0.00 59.36 58.50 2day h GLU 70 Cb 1.23 -0.04 0.06 0.00 -0.84 0.00 0.00 28.75 29.16 2day h GLU 70 CO 0.13 0.11 -0.28 0.98 -1.40 0.00 0.00 179.01 178.55 2day n TYR 71 N -5.13 -0.29 0.24 4.33 4.19 -1.22 -1.76 117.16 117.51 2day n TYR 71 Ca 0.03 0.49 0.12 0.00 3.31 0.00 0.00 57.90 61.85 2day n TYR 71 Cb 0.20 -1.01 0.56 0.00 0.49 0.00 0.00 39.34 39.58 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 0.50 0.00 -0.69 2.98 0.13 -1.90 -3.44 132.00 129.57 2day h PRO 72 Ca -0.15 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.25 2day h PRO 72 Cb 0.74 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.77 2day h PRO 72 CO 0.29 0.17 0.39 0.72 -0.23 0.00 0.00 178.00 179.34 2day n HIS 73 N -3.39 0.65 -4.65 1.56 8.25 -0.72 -4.09 115.22 112.83 2day n HIS 73 Ca -0.00 0.65 -0.30 0.00 -0.26 0.00 0.00 57.72 57.81 2day n HIS 73 Cb 0.37 -1.08 -0.14 0.00 1.12 0.00 0.00 29.99 30.26 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 -4.86 1.70 0.26 -0.41 2.12 -1.25 -4.93 118.70 111.33 2day s GLU 74 Ca -0.05 -1.18 -0.23 0.00 0.36 0.00 0.00 54.97 53.87 2day s GLU 74 Cb 0.21 -1.99 -0.09 0.00 0.26 0.00 0.00 34.13 32.51 2day s GLU 74 CO 0.49 0.49 0.82 0.14 -0.54 0.00 0.00 175.26 176.66 2day s VAL 75 N -0.94 4.41 0.40 3.70 -7.23 -1.26 -3.56 120.40 115.92 2day s VAL 75 Ca 0.13 1.54 -0.25 0.00 -1.81 0.00 0.00 61.98 61.59 2day s VAL 75 Cb -0.10 -3.94 -0.08 0.00 0.56 0.00 0.00 36.38 32.82 2day s VAL 75 CO 0.05 0.20 1.19 -2.16 -0.31 0.00 0.00 175.10 174.06 2day s PRO 76 N -1.96 4.03 -0.09 4.82 0.04 -1.26 -4.79 135.00 135.79 2day s PRO 76 Ca 0.46 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 2day s PRO 76 Cb -0.18 -2.69 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 2day s PRO 76 CO 0.22 -0.35 1.91 -0.65 0.04 0.00 0.00 177.00 178.18 2day s GLN 77 N -2.29 3.83 -0.43 4.56 1.11 -0.67 -4.73 119.66 121.04 2day s GLN 77 Ca 0.57 2.22 -0.24 0.00 0.01 0.00 0.00 55.36 57.92 2day s GLN 77 Cb -0.32 -4.16 0.02 0.00 -1.01 0.00 0.00 33.01 27.54 2day s GLN 77 CO 0.40 -1.29 0.82 0.42 0.01 0.00 0.00 175.29 175.65 2day s ILE 78 N 5.50 4.63 0.32 1.08 -1.09 -1.26 -3.12 121.20 127.26 2day s ILE 78 Ca 0.86 0.65 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 2day s ILE 78 Cb -0.35 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.17 2day s ILE 78 CO 0.36 -0.66 0.15 -0.55 -1.23 0.00 0.00 174.94 173.01 2day s SER 79 N 2.07 1.74 -0.03 3.58 0.15 -1.18 -4.97 113.70 115.06 2day s SER 79 Ca 0.32 -1.56 -0.01 0.00 0.70 0.00 0.00 55.95 55.40 2day s SER 79 Cb -0.12 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.59 2day s SER 79 CO 0.22 -0.87 0.06 -0.63 1.20 0.00 0.00 173.24 173.21 2day s ILE 80 N -3.54 -0.06 -0.08 6.45 1.01 -1.26 -2.75 121.20 120.97 2day s ILE 80 Ca 0.34 0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.24 2day s ILE 80 Cb 0.05 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.38 2day s ILE 80 CO 0.17 0.09 -0.17 -0.13 0.00 0.00 0.00 174.94 174.89 2day s ARG 81 N 1.11 2.78 -1.13 2.79 3.00 -0.98 -4.66 118.95 121.85 2day s ARG 81 Ca -0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 55.73 54.86 2day s ARG 81 Cb -0.13 -2.39 0.00 0.00 0.00 0.00 0.00 34.95 32.44 2day s ARG 81 CO -0.04 0.43 0.96 -1.71 0.00 0.00 0.00 175.30 174.94 2day n ASN 82 N 2.87 -3.30 -4.57 0.23 4.05 -1.26 -2.81 115.26 110.46 2day n ASN 82 Ca -0.18 -0.54 -0.28 0.00 0.45 0.00 0.00 54.58 54.04 2day n ASN 82 Cb 0.52 -4.67 -0.06 0.00 1.23 0.00 0.00 39.78 36.80 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2day s PRO 83 N -5.54 2.51 -0.04 1.20 0.04 -1.26 -4.57 135.00 127.34 2day s PRO 83 Ca 0.17 -0.95 -0.04 0.00 0.04 0.00 0.00 61.00 60.22 2day s PRO 83 Cb -0.08 -5.20 -0.04 0.00 0.04 0.00 0.00 34.50 29.23 2day s PRO 83 CO 0.66 -3.83 0.18 0.50 0.04 0.00 0.00 177.00 174.55 2day s ARG 84 N 6.60 3.45 0.00 4.56 3.00 -0.97 -4.43 118.95 131.16 2day s ARG 84 Ca 0.69 -0.24 0.00 0.00 -1.00 0.00 0.00 55.73 55.18 2day s ARG 84 Cb -0.02 -3.13 0.00 0.00 0.00 0.00 0.00 34.95 31.80 2day s ARG 84 CO 0.10 0.71 0.00 0.41 0.00 0.00 0.00 175.30 176.51 2day n GLY 85 N 1.28 2.32 3.86 8.12 0.00 -1.26 -1.39 105.19 118.12 2day n GLY 85 Ca -0.14 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 3.80 0.61 0.99 1.43 -1.26 -4.97 118.68 119.28 2day s LEU 86 Ca 0.00 1.33 0.04 0.00 -1.03 0.00 0.00 54.13 54.46 2day s LEU 86 Cb 0.00 -4.21 0.08 0.00 0.03 0.00 0.00 46.19 42.09 2day s LEU 86 CO 0.00 -0.43 0.84 -0.94 0.23 0.00 0.00 176.35 176.05 2day s SER 87 N -2.95 4.90 0.23 2.29 1.04 -1.26 -4.85 113.70 113.10 2day s SER 87 Ca 0.55 -0.46 -0.06 0.00 0.48 0.00 0.00 55.95 56.46 2day s SER 87 Cb -0.10 -0.15 0.37 0.00 0.10 0.00 0.00 66.02 66.24 2day s SER 87 CO 0.28 -1.44 1.78 0.44 0.98 0.00 0.00 173.24 175.28 2day h ASP 88 N -0.07 0.48 0.90 7.02 3.32 -1.98 -0.50 116.42 125.60 2day h ASP 88 Ca -0.36 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 2day h ASP 88 Cb 1.28 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.82 2day h ASP 88 CO 0.43 0.27 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.45 2day h GLU 89 N 0.62 -1.17 -0.10 3.56 5.08 -1.99 -2.25 114.58 118.33 2day h GLU 89 Ca 0.37 0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.84 2day h GLU 89 Cb 0.41 0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 2day h GLU 89 CO -0.28 -0.78 -0.50 1.96 -1.00 0.00 0.00 179.01 178.41 2day h GLN 90 N -1.30 -0.56 -0.73 2.33 4.20 -1.88 0.46 115.11 117.63 2day h GLN 90 Ca -0.12 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.76 2day h GLN 90 Cb 0.93 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.71 2day h GLN 90 CO 0.20 -0.37 -0.30 0.82 -0.67 0.00 0.00 178.83 178.52 2day h ILE 91 N -0.58 0.16 0.05 2.54 2.04 -1.13 0.59 117.51 121.18 2day h ILE 91 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2day h ILE 91 Cb 0.68 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2day h ILE 91 CO -0.40 0.00 -0.10 -0.74 0.00 0.00 0.00 178.15 176.91 2day h HIS 92 N -0.08 -0.25 -0.06 1.37 2.76 -0.73 -2.97 115.15 115.19 2day h HIS 92 Ca 0.30 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.51 2day h HIS 92 Cb 0.57 0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.57 2day h HIS 92 CO -0.67 -0.15 -0.42 1.15 -1.30 0.00 0.00 177.93 176.54 2day h THR 93 N -0.20 0.15 -1.36 6.26 2.02 0.81 0.27 112.91 120.87 2day h THR 93 Ca 0.02 0.00 0.41 0.00 0.77 0.00 0.00 66.41 67.61 2day h THR 93 Cb 0.21 0.15 -0.10 0.00 -1.74 0.00 0.00 68.15 66.67 2day h THR 93 CO -0.06 0.00 0.92 0.40 0.37 0.00 0.00 175.52 177.15 2day h ILE 94 N -0.53 0.22 0.01 3.11 2.04 -0.85 0.23 117.51 121.73 2day h ILE 94 Ca 0.06 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 2day h ILE 94 Cb 0.64 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2day h ILE 94 CO -0.35 0.02 -0.00 -0.07 0.00 0.00 0.00 178.15 177.74 2day h LEU 95 N 0.11 -0.01 -1.97 1.44 3.38 -0.83 -2.34 115.31 115.08 2day h LEU 95 Ca 0.76 0.00 0.43 0.00 0.09 0.00 0.00 57.88 59.16 2day h LEU 95 Cb 2.55 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 43.24 2day h LEU 95 CO -0.26 0.01 1.08 0.06 0.09 0.00 0.00 178.44 179.41 2day h GLN 96 N -0.03 0.00 0.08 1.13 3.07 -0.70 -0.16 115.11 118.50 2day h GLN 96 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 2day h GLN 96 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 2day h GLN 96 CO 0.00 0.00 -0.04 0.28 0.09 0.00 0.00 178.83 179.16 2day h VAL 97 N 0.00 0.00 0.04 1.86 2.07 -0.66 -3.12 116.25 116.44 2day h VAL 97 Ca 0.70 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 68.08 2day h VAL 97 Cb 2.85 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.58 2day h VAL 97 CO -0.01 0.00 -0.40 -0.07 0.02 0.00 0.00 177.57 177.11 2day h LEU 98 N -0.25 -1.22 -0.89 2.57 3.38 -0.76 -2.18 115.31 115.96 2day h LEU 98 Ca -0.01 0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.27 2day h LEU 98 Cb 0.08 0.46 -0.17 0.00 0.09 0.00 0.00 40.66 41.12 2day h LEU 98 CO 0.02 -0.40 -0.23 0.61 0.09 0.00 0.00 178.44 178.52 2day n GLY 99 N -1.35 -1.52 0.16 0.83 0.00 -0.15 0.52 105.19 103.68 2day n GLY 99 Ca -0.06 0.96 -0.06 0.00 0.00 0.00 0.00 46.02 46.86 2day n GLY 99 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2day h HIS 100 N 0.00 -0.22 -0.73 1.61 -0.00 -1.33 -0.34 115.15 114.14 2day h HIS 100 Ca 0.42 0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.93 2day h HIS 100 Cb 0.64 0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 28.16 2day h HIS 100 CO -0.69 -0.17 0.48 0.28 -0.00 0.00 0.00 177.93 177.83 2day h VAL 101 N -0.02 0.90 -0.76 5.26 2.07 0.36 -1.55 116.25 122.51 2day h VAL 101 Ca 0.17 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.64 2day h VAL 101 Cb 0.28 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.25 2day h VAL 101 CO -0.38 0.10 0.32 0.00 0.02 0.00 0.00 177.57 177.64 2day h ALA 102 N 1.64 1.07 -0.20 1.67 0.00 -0.31 -0.68 119.26 122.45 2day h ALA 102 Ca 0.34 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 55.19 2day h ALA 102 Cb 0.57 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2day h ALA 102 CO -0.12 -0.17 -0.56 0.87 0.00 0.00 0.00 179.25 179.27 2day h LYS 103 N 0.49 0.60 -0.00 0.00 1.57 -1.25 -2.84 116.57 115.14 2day h LYS 103 Ca 0.41 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2day h LYS 103 Cb 0.59 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2day h LYS 103 CO -0.38 1.00 0.01 0.00 -0.57 0.00 0.00 179.45 179.52 2day h ALA 104 N 0.92 1.18 -0.44 3.86 0.00 -0.86 -2.14 119.26 121.78 2day h ALA 104 Ca 0.01 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 2day h ALA 104 Cb 1.12 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.62 2day h ALA 104 CO 0.11 -0.02 -0.77 0.41 0.00 0.00 0.00 179.25 178.98 2day n GLY 105 N -1.16 5.15 3.80 0.00 0.00 -0.84 -5.07 105.19 107.08 2day n GLY 105 Ca -0.03 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.28 3.73 0.00 0.99 1.43 -0.81 -3.80 118.68 116.94 2day s LEU 106 Ca 0.43 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 2day s LEU 106 Cb 0.39 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 42.06 2day s LEU 106 CO -0.02 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.33 2day n GLY 107 N -0.61 2.79 3.27 -3.19 0.00 -1.26 -5.01 105.19 101.18 2day n GLY 107 Ca 0.09 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.34 0.00 -0.16 2.61 -4.23 -1.25 -4.90 115.64 105.37 2day s THR 108 Ca 0.00 -1.98 -0.41 0.00 -1.18 0.00 0.00 61.69 58.12 2day s THR 108 Cb 0.00 -2.50 -0.19 0.00 1.34 0.00 0.00 72.50 71.14 2day s THR 108 CO 0.00 0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.28 2day n ALA 109 N -0.53 -2.83 0.00 3.99 0.00 -1.26 -4.83 120.51 115.06 2day n ALA 109 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2day n ALA 109 Cb 0.63 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 2.24 0.77 -0.28 0.00 3.85 -1.26 -4.83 117.12 117.62 2day n MET 110 Ca 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 57.70 56.92 2day n MET 110 Cb 0.03 -0.79 0.02 0.00 -1.05 0.00 0.00 33.22 31.44 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 -1.83 -0.48 -0.02 3.17 4.77 -1.26 0.40 117.00 121.74 2day n LEU 111 Ca 0.00 1.25 -0.13 0.00 -0.03 0.00 0.00 56.01 57.10 2day n LEU 111 Cb 0.29 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 2day n LEU 111 CO 0.00 -1.12 0.57 0.22 -1.33 0.00 0.00 177.39 175.73 2day h TYR 112 N 0.00 -1.29 -0.06 -1.77 3.20 -1.98 -0.25 116.97 114.83 2day h TYR 112 Ca 0.24 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.20 2day h TYR 112 Cb 0.42 0.59 -0.05 0.00 1.54 0.00 0.00 36.73 39.23 2day h TYR 112 CO -0.64 -0.49 -0.21 1.49 -1.64 0.00 0.00 178.16 176.67 2day h GLU 113 N -0.49 -0.30 -0.21 1.82 4.81 -0.37 -2.46 114.58 117.38 2day h GLU 113 Ca 0.08 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2day h GLU 113 Cb 0.63 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.01 2day h GLU 113 CO -0.43 -0.20 -0.54 -0.07 -0.73 0.00 0.00 179.01 177.04 2day h LEU 114 N -0.31 -1.75 -0.58 1.64 3.38 -0.43 -2.40 115.31 114.85 2day h LEU 114 Ca 0.08 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.33 2day h LEU 114 Cb 0.42 0.69 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 2day h LEU 114 CO -0.24 -0.46 -0.56 0.40 0.09 0.00 0.00 178.44 177.67 2day h ILE 115 N -0.53 0.01 -0.72 1.22 2.04 -0.83 -0.70 117.51 117.99 2day h ILE 115 Ca 0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 2day h ILE 115 Cb 0.66 0.01 -0.12 0.00 -0.74 0.00 0.00 36.82 36.62 2day h ILE 115 CO -0.48 0.00 -0.26 -0.62 0.00 0.00 0.00 178.15 176.79 2day n GLU 116 N -5.34 -0.15 -0.05 2.37 -0.58 -0.91 0.13 120.64 116.10 2day n GLU 116 Ca -0.02 1.11 -0.08 0.00 -0.42 0.00 0.00 57.16 57.76 2day n GLU 116 Cb 0.32 -1.65 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 2day n GLU 116 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2day h LYS 117 N 0.00 -0.03 -0.71 3.49 1.79 -1.00 -2.28 116.57 117.83 2day h LYS 117 Ca 0.27 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.98 2day h LYS 117 Cb 0.45 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 30.97 2day h LYS 117 CO -0.72 -0.02 0.18 0.41 -1.08 0.00 0.00 179.45 178.22 2day n GLY 118 N -1.24 -0.77 0.07 3.86 0.00 0.35 -0.69 105.19 106.77 2day n GLY 118 Ca -0.01 0.64 -0.02 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 -0.13 -0.88 1.61 1.57 -1.38 -3.28 116.57 114.08 2day h LYS 119 Ca 0.51 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.40 2day h LYS 119 Cb 1.20 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.41 2day h LYS 119 CO -0.61 -0.08 -0.42 0.39 -0.57 0.00 0.00 179.45 178.15 2day n GLU 120 N -3.53 -0.29 -0.14 3.15 -0.58 -0.28 -1.08 120.64 117.90 2day n GLU 120 Ca -0.02 1.35 -0.05 0.00 -0.42 0.00 0.00 57.16 58.02 2day n GLU 120 Cb 0.05 -1.99 -0.04 0.00 -0.57 0.00 0.00 31.44 28.89 2day n GLU 120 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2day h ILE 121 N 0.00 0.00 -0.97 -3.67 2.04 -1.06 0.15 117.51 114.00 2day h ILE 121 Ca 0.23 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.38 2day h ILE 121 Cb 0.45 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.36 2day h ILE 121 CO -0.85 0.00 0.14 -0.07 0.00 0.00 0.00 178.15 177.37 2day h LEU 122 N -0.06 -0.27-10.61 1.44 3.38 -1.16 -3.40 115.31 104.63 2day h LEU 122 Ca 0.06 0.26 -0.47 0.00 0.09 0.00 0.00 57.88 57.82 2day h LEU 122 Cb 0.21 0.41 0.10 0.00 0.09 0.00 0.00 40.66 41.48 2day h LEU 122 CO -0.36 -0.33 0.40 -0.94 0.09 0.00 0.00 178.44 177.30 2day s SER 123 N -4.95 4.38 0.00 -0.43 1.04 0.51 -4.90 113.70 109.35 2day s SER 123 Ca -0.12 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2day s SER 123 Cb 0.29 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 65.12 2day s SER 123 CO 0.78 -1.99 0.00 0.61 0.98 0.00 0.00 173.24 173.62 2day n GLY 124 N -3.20 0.79 3.61 7.32 0.00 -1.26 -4.91 105.19 107.54 2day n GLY 124 Ca 0.08 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.96 3.57 -0.25 1.61 0.04 -1.26 -4.97 135.00 132.79 2day s PRO 125 Ca 0.00 1.46 -0.18 0.00 0.04 0.00 0.00 61.00 62.32 2day s PRO 125 Cb 0.00 -4.10 0.07 0.00 0.04 0.00 0.00 34.50 30.51 2day s PRO 125 CO 0.00 -1.56 0.64 -1.12 0.04 0.00 0.00 177.00 175.00 2day s SER 126 N 4.95 -0.77 -0.15 6.66 0.01 -1.26 -5.17 113.70 117.96 2day s SER 126 Ca 0.73 1.35 -0.30 0.00 1.31 0.00 0.00 55.95 59.05 2day s SER 126 Cb -0.22 1.29 0.12 0.00 0.21 0.00 0.00 66.02 67.42 2day s SER 126 CO 0.32 -0.23 0.96 -0.55 0.41 0.00 0.00 173.24 174.14 2day s SER 127 N 1.02 -0.41 0.00 2.44 0.15 -1.26 -5.20 113.70 110.43 2day s SER 127 Ca -0.05 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2day s SER 127 Cb -0.05 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2day s SER 127 CO -0.10 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.59