#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 0.12 0.00 1.61 0.02 -2.12 -3.36 113.55 109.83 2day h SER 2 Ca 0.00 -0.20 -0.27 0.00 -0.84 0.00 0.00 61.79 60.48 2day h SER 2 Cb 0.00 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 2day h SER 2 CO 0.00 0.29 -1.56 -0.24 -1.14 0.00 0.00 176.83 174.19 2day n SER 3 N -4.91 1.88 -0.89 3.07 2.88 -1.26 -5.09 113.62 109.30 2day n SER 3 Ca -0.06 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2day n SER 3 Cb 0.13 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 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 1.40 -1.74 3.18 0.46 0.00 -1.26 -5.06 105.19 102.17 2day n GLY 4 Ca -0.36 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 4.95 0.24 1.61 0.15 -1.26 -4.93 113.70 114.46 2day s SER 5 Ca 0.00 -1.28 -0.06 0.00 0.70 0.00 0.00 55.95 55.31 2day s SER 5 Cb 0.00 -1.73 0.30 0.00 -1.71 0.00 0.00 66.02 62.88 2day s SER 5 CO 0.00 -0.28 1.89 0.77 1.20 0.00 0.00 173.24 176.82 2day h SER 6 N 8.02 0.98 -5.00 5.45 4.64 -2.00 -3.49 113.55 122.15 2day h SER 6 Ca -0.21 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2day h SER 6 Cb 1.06 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2day h SER 6 CO 0.54 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 2day n GLY 7 N -1.35 0.11 3.57 -0.77 0.00 -1.26 -4.97 105.19 100.52 2day n GLY 7 Ca 0.12 -2.29 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.19 1.90 0.62 1.61 1.03 -1.26 -5.01 118.70 117.40 2day s GLU 8 Ca 0.00 -2.12 0.34 0.00 0.03 0.00 0.00 54.97 53.22 2day s GLU 8 Cb 0.00 -1.12 1.96 0.00 -0.80 0.00 0.00 34.13 34.17 2day s GLU 8 CO 0.00 -0.26 2.23 1.05 -1.33 0.00 0.00 175.26 176.95 2day h GLU 9 N 1.80 0.00 -6.70 -4.83 4.11 -2.06 -3.41 114.58 103.49 2day h GLU 9 Ca -0.41 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.50 2day h GLU 9 Cb 1.26 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.54 2day h GLU 9 CO 0.70 0.00 0.60 0.34 0.07 0.00 0.00 179.01 180.72 2day s ASP 10 N -5.62 6.99 -0.30 3.06 -1.08 -1.26 -5.01 116.67 113.46 2day s ASP 10 Ca -0.05 2.35 -0.14 0.00 -0.52 0.00 0.00 52.55 54.19 2day s ASP 10 Cb 0.14 -2.61 0.17 0.00 -1.46 0.00 0.00 42.92 39.16 2day s ASP 10 CO 0.48 -0.43 1.02 0.86 0.52 0.00 0.00 175.17 177.62 2day s TRP 11 N -0.17 -0.61 -0.04 -5.34 -0.11 -1.26 -5.02 118.94 106.38 2day s TRP 11 Ca 0.53 0.86 0.27 0.00 1.22 0.00 0.00 56.10 58.98 2day s TRP 11 Cb -0.35 0.29 0.91 0.00 -1.50 0.00 0.00 33.47 32.82 2day s TRP 11 CO 0.39 -0.32 1.81 -0.24 -4.62 0.00 0.00 176.95 173.97 2day h VAL 12 N 5.42 0.21 0.24 5.86 3.04 -1.95 -3.25 116.25 125.81 2day h VAL 12 Ca -0.15 -0.91 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 2day h VAL 12 Cb 1.14 1.76 -0.04 0.00 -2.01 0.00 0.00 31.29 32.15 2day h VAL 12 CO 0.02 0.09 -0.52 0.25 -1.01 0.00 0.00 177.57 176.40 2day h LEU 13 N 0.00 -1.52 -0.63 3.16 5.85 -1.95 0.31 115.31 120.53 2day h LEU 13 Ca -0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2day h LEU 13 Cb 0.76 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2day h LEU 13 CO 0.01 -0.59 0.00 -0.81 -0.34 0.00 0.00 178.44 176.72 2day n PRO 14 N -5.45 0.17 0.14 5.25 -0.04 -1.24 -2.56 135.00 131.27 2day n PRO 14 Ca -0.09 0.41 -0.24 0.00 -0.04 0.00 0.00 63.50 63.53 2day n PRO 14 Cb 0.42 -1.83 -0.16 0.00 -0.04 0.00 0.00 33.50 31.90 2day n PRO 14 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2day h SER 15 N 0.00 0.82 -0.05 3.54 0.02 -1.29 -3.31 113.55 113.28 2day h SER 15 Ca 0.00 -0.89 -0.08 0.00 -0.84 0.00 0.00 61.79 59.99 2day h SER 15 Cb 0.34 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2day h SER 15 CO 0.00 1.70 -0.26 -0.08 -1.14 0.00 0.00 176.83 177.05 2day h GLU 16 N 0.14 0.27 -1.19 3.45 4.57 -0.81 -3.21 114.58 117.80 2day h GLU 16 Ca -0.26 -0.22 0.36 0.00 -1.18 0.00 0.00 59.36 58.07 2day h GLU 16 Cb 2.16 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 30.68 2day h GLU 16 CO 0.27 0.87 0.76 0.28 -1.18 0.00 0.00 179.01 180.01 2day h VAL 17 N -0.27 0.29 -0.11 0.32 2.07 -1.64 0.28 116.25 117.20 2day h VAL 17 Ca -0.02 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2day h VAL 17 Cb 0.92 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2day h VAL 17 CO 0.05 0.04 -0.02 -0.33 0.02 0.00 0.00 177.57 177.34 2day h GLU 18 N 0.21 0.01 0.00 1.57 4.39 -1.64 0.19 114.58 119.31 2day h GLU 18 Ca 0.72 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.38 2day h GLU 18 Cb 2.11 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.75 2day h GLU 18 CO -0.38 0.01 -0.19 -0.24 -1.16 0.00 0.00 179.01 177.05 2day h VAL 19 N 0.01 0.45 0.19 3.13 3.04 -0.65 -3.26 116.25 119.16 2day h VAL 19 Ca 0.05 -1.11 -0.01 0.00 -1.01 0.00 0.00 66.70 64.62 2day h VAL 19 Cb 0.07 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2day h VAL 19 CO -0.10 0.19 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.49 2day h LEU 20 N 0.00 -0.21 -0.95 3.16 3.38 -0.31 -3.32 115.31 117.06 2day h LEU 20 Ca -0.00 -0.20 0.25 0.00 0.09 0.00 0.00 57.88 58.02 2day h LEU 20 Cb 0.78 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.42 2day h LEU 20 CO 0.03 0.32 0.04 -0.33 0.09 0.00 0.00 178.44 178.59 2day h GLU 21 N -1.00 0.04 -1.01 1.13 5.08 -0.72 1.04 114.58 119.14 2day h GLU 21 Ca -0.03 -0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.56 2day h GLU 21 Cb 0.40 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.54 2day h GLU 21 CO 0.04 0.03 0.62 1.03 -1.00 0.00 0.00 179.01 179.73 2day h SER 22 N 0.04 0.63 0.00 1.42 0.87 -1.65 1.52 113.55 116.37 2day h SER 22 Ca 0.57 0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 61.13 2day h SER 22 Cb 1.14 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2day h SER 22 CO -0.86 0.16 -0.67 0.40 -0.53 0.00 0.00 176.83 175.32 2day h ILE 23 N 0.57 0.72 -1.47 2.23 2.04 0.83 -3.38 117.51 119.05 2day h ILE 23 Ca 0.60 -1.75 -0.69 0.00 1.00 0.00 0.00 64.86 64.02 2day h ILE 23 Cb 1.20 1.56 -0.26 0.00 -0.74 0.00 0.00 36.82 38.58 2day h ILE 23 CO -0.37 0.24 0.91 -1.22 0.00 0.00 0.00 178.15 177.71 2day n TYR 24 N -4.56 2.89 -0.24 1.37 4.01 0.74 -4.81 117.16 116.57 2day n TYR 24 Ca -0.17 -2.54 -0.06 0.00 -0.16 0.00 0.00 57.90 54.96 2day n TYR 24 Cb 0.45 -1.29 -0.06 0.00 -0.31 0.00 0.00 39.34 38.13 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 -0.52 -0.61 -0.12 7.72 4.77 0.52 -0.60 117.00 128.16 2day n LEU 25 Ca 0.56 1.22 -0.26 0.00 -0.03 0.00 0.00 56.01 57.50 2day n LEU 25 Cb 0.43 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 2day n LEU 25 CO 0.60 -0.93 -1.07 -0.90 -1.33 0.00 0.00 177.39 173.76 2day n ASP 26 N -4.39 1.92 -0.30 -1.43 5.75 -1.26 -4.37 116.55 112.46 2day n ASP 26 Ca 0.01 0.37 0.29 0.00 -0.01 0.00 0.00 54.79 55.46 2day n ASP 26 Cb 0.15 -0.88 0.54 0.00 -1.03 0.00 0.00 41.12 39.90 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 -4.33 -0.06 -4.12 0.11 -0.58 -1.20 -4.25 120.64 106.21 2day n GLU 27 Ca -0.45 1.31 -0.31 0.00 -0.42 0.00 0.00 57.16 57.28 2day n GLU 27 Cb 0.80 -2.34 -0.07 0.00 -0.57 0.00 0.00 31.44 29.26 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 -10.29 3.68 0.03 -4.62 2.96 0.23 -4.02 118.68 106.67 2day s LEU 28 Ca -0.09 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 2day s LEU 28 Cb 0.32 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2day s LEU 28 CO 0.74 0.21 -0.16 -1.58 -1.32 0.00 0.00 176.35 174.23 2day s GLN 29 N -2.09 1.13 0.01 1.98 2.00 -0.62 -4.71 119.66 117.36 2day s GLN 29 Ca 0.25 -0.78 0.03 0.00 -2.00 0.00 0.00 55.36 52.86 2day s GLN 29 Cb -0.12 -1.17 -0.01 0.00 0.80 0.00 0.00 33.01 32.51 2day s GLN 29 CO 0.17 0.30 -0.09 0.08 -0.50 0.00 0.00 175.29 175.25 2day s VAL 30 N -0.75 0.69 -0.52 1.34 1.01 -1.26 -2.48 120.40 118.43 2day s VAL 30 Ca 0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2day s VAL 30 Cb -0.08 -0.63 0.14 0.00 0.00 0.00 0.00 36.38 35.81 2day s VAL 30 CO 0.01 0.01 0.32 -0.63 0.00 0.00 0.00 175.10 174.81 2day s ILE 31 N -0.59 3.47 -0.35 2.22 -1.09 -0.84 -5.03 121.20 118.99 2day s ILE 31 Ca -0.00 -2.55 -0.37 0.00 -2.23 0.00 0.00 60.65 55.50 2day s ILE 31 Cb -0.05 -3.32 -0.13 0.00 -1.58 0.00 0.00 42.46 37.37 2day s ILE 31 CO 0.00 -0.79 2.10 0.29 -1.23 0.00 0.00 174.94 175.32 2day n LYS 32 N 3.99 0.97 -2.49 2.79 4.76 -1.26 -4.35 118.16 122.57 2day n LYS 32 Ca 0.03 0.29 -0.40 0.00 -2.87 0.00 0.00 58.31 55.35 2day n LYS 32 Cb 0.39 -2.27 -0.03 0.00 -1.84 0.00 0.00 35.03 31.28 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 6.44 0.87 0.19 0.72 0.00 -1.26 -4.87 107.32 109.40 2day s GLY 33 Ca 1.09 -1.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.19 2day s GLY 33 CO 0.54 2.75 1.66 -0.57 0.00 0.00 0.00 173.10 177.48 2day h ASN 34 N 10.47 -0.39 -1.48 1.64 -1.24 -1.96 -3.42 115.58 119.21 2day h ASN 34 Ca -0.18 0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.97 2day h ASN 34 Cb 1.05 0.28 0.00 0.00 0.73 0.00 0.00 38.32 40.39 2day h ASN 34 CO 1.30 -0.14 0.00 0.61 -1.29 0.00 0.00 177.43 177.91 2day n GLY 35 N -1.35 -1.85 0.01 1.57 0.00 -1.26 -5.04 105.19 97.26 2day n GLY 35 Ca 0.05 -1.53 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.13 2.38 -0.64 1.61 3.00 -1.26 -4.67 116.66 115.95 2day n ARG 36 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.72 2day n ARG 36 Cb 0.00 -1.02 0.09 0.00 0.00 0.00 0.00 32.46 31.52 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 -2.23 2.17 -4.84 0.55 -2.24 -1.26 -4.84 114.28 101.59 2day n THR 37 Ca -0.02 -1.02 -0.28 0.00 -2.27 0.00 0.00 64.05 60.46 2day n THR 37 Cb 0.53 -0.78 -0.17 0.00 -2.10 0.00 0.00 70.33 67.81 2day n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2day s SER 38 N -0.14 2.30 0.44 3.42 1.04 -1.26 -5.07 113.70 114.43 2day s SER 38 Ca 0.29 -0.40 -0.24 0.00 0.48 0.00 0.00 55.95 56.08 2day s SER 38 Cb 0.24 -1.04 -0.08 0.00 0.10 0.00 0.00 66.02 65.25 2day s SER 38 CO 0.05 0.09 1.17 -2.16 0.98 0.00 0.00 173.24 173.37 2day s PRO 39 N 0.50 3.83 0.53 4.02 0.04 -1.26 -4.92 135.00 137.74 2day s PRO 39 Ca -0.16 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 2day s PRO 39 Cb -0.16 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 31.83 2day s PRO 39 CO 0.06 -0.50 1.01 -1.58 0.04 0.00 0.00 177.00 176.03 2day s TRP 40 N -1.51 3.23 -0.03 0.56 0.52 -0.35 -4.88 118.94 116.49 2day s TRP 40 Ca 0.62 1.50 0.06 0.00 0.02 0.00 0.00 56.10 58.30 2day s TRP 40 Cb -0.29 -2.90 -0.01 0.00 -1.15 0.00 0.00 33.47 29.11 2day s TRP 40 CO 0.36 -0.65 -0.21 -2.00 0.02 0.00 0.00 176.95 174.46 2day s GLU 41 N -3.92 1.90 -0.02 4.98 2.56 -1.26 -1.50 118.70 121.45 2day s GLU 41 Ca 0.62 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.82 2day s GLU 41 Cb -0.13 -1.75 0.02 0.00 2.00 0.00 0.00 34.13 34.27 2day s GLU 41 CO 0.31 0.41 -0.00 0.42 -0.56 0.00 0.00 175.26 175.83 2day s ILE 42 N -0.35 0.13 0.26 -3.70 1.01 -0.57 -1.99 121.20 115.98 2day s ILE 42 Ca 0.04 0.03 0.11 0.00 0.00 0.00 0.00 60.65 60.83 2day s ILE 42 Cb -0.10 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.14 2day s ILE 42 CO 0.00 0.09 -0.19 -0.31 0.00 0.00 0.00 174.94 174.54 2day s TYR 43 N 0.56 2.13 -0.12 3.97 1.51 -1.03 -0.33 117.35 124.03 2day s TYR 43 Ca -0.05 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.31 2day s TYR 43 Cb -0.08 -0.94 0.12 0.00 -0.11 0.00 0.00 41.96 40.95 2day s TYR 43 CO -0.01 0.62 0.97 -1.50 -1.11 0.00 0.00 175.55 174.51 2day s ILE 44 N -2.62 0.00 -0.20 2.71 2.07 -0.97 -1.59 121.20 120.60 2day s ILE 44 Ca 0.28 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.50 2day s ILE 44 Cb -0.04 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.55 2day s ILE 44 CO 0.13 0.00 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.17 2day s THR 45 N -1.58 2.98 0.34 4.00 2.01 -1.26 -0.17 115.64 121.96 2day s THR 45 Ca -0.00 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.44 2day s THR 45 Cb -0.01 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 2day s THR 45 CO -0.00 0.47 0.15 -0.76 -0.69 0.00 0.00 174.62 173.79 2day s LEU 46 N 1.25 3.28 -0.28 4.42 1.02 -1.08 -5.02 118.68 122.27 2day s LEU 46 Ca 0.03 -0.76 -0.23 0.00 0.02 0.00 0.00 54.13 53.19 2day s LEU 46 Cb -0.14 -1.77 0.13 0.00 0.02 0.00 0.00 46.19 44.43 2day s LEU 46 CO -0.04 -0.31 1.05 -1.38 0.02 0.00 0.00 176.35 175.69 2day s HIS 47 N -2.42 -0.47 -0.14 0.29 -3.43 -1.26 -3.62 115.29 104.25 2day s HIS 47 Ca 0.38 1.08 -0.29 0.00 -0.80 0.00 0.00 55.06 55.43 2day s HIS 47 Cb -0.03 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 31.46 2day s HIS 47 CO 0.23 -0.23 1.55 -1.25 -2.00 0.00 0.00 174.74 173.04 2day s PRO 48 N 0.50 4.06 -0.62 -0.38 0.04 -1.26 -4.85 135.00 132.49 2day s PRO 48 Ca 0.00 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.90 2day s PRO 48 Cb -0.05 -3.95 0.11 0.00 0.04 0.00 0.00 34.50 30.65 2day s PRO 48 CO -0.09 -0.96 2.62 0.00 0.04 0.00 0.00 177.00 178.60 2day n ALA 49 N 7.45 6.50 0.00 8.56 0.00 -1.26 -4.14 120.51 137.62 2day n ALA 49 Ca 0.17 -3.34 0.00 0.00 0.00 0.00 0.00 53.44 50.27 2day n ALA 49 Cb 0.44 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 0.79 0.00 -2.68 0.00 5.66 -1.26 -4.98 114.28 111.81 2day n THR 50 Ca 0.51 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 61.09 2day n THR 50 Cb 0.47 -0.62 -0.03 0.00 -1.55 0.00 0.00 70.33 68.59 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 -1.84 3.04 0.00 1.79 0.00 -1.26 -4.73 121.76 118.76 2day s ALA 51 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2day s ALA 51 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2day s ALA 51 CO 0.00 -2.61 0.00 0.39 0.00 0.00 0.00 175.76 173.54 2day n GLU 52 N 8.14 0.00 0.15 0.00 -0.58 -1.26 -4.84 120.64 122.25 2day n GLU 52 Ca 0.05 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.66 2day n GLU 52 Cb 0.48 -0.67 -0.07 0.00 -0.57 0.00 0.00 31.44 30.61 2day n GLU 52 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2day h ASP 53 N 0.00 -0.45 -2.97 1.62 3.32 -1.98 -3.40 116.42 112.55 2day h ASP 53 Ca 0.00 0.04 -0.57 0.00 0.02 0.00 0.00 57.03 56.52 2day h ASP 53 Cb 0.64 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 2day h ASP 53 CO 0.00 -0.27 0.89 -1.58 -1.72 0.00 0.00 179.24 176.56 2day s GLN 54 N -6.12 4.20 0.00 3.56 0.74 -1.26 -4.96 119.66 115.82 2day s GLN 54 Ca -0.15 1.55 0.00 0.00 0.05 0.00 0.00 55.36 56.81 2day s GLN 54 Cb 0.06 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 30.42 2day s GLN 54 CO 0.65 -0.74 0.75 -3.47 -0.55 0.00 0.00 175.29 171.92 2day n ASP 55 N 6.68 0.00 -0.25 6.67 -0.08 -1.26 -3.26 116.55 125.05 2day n ASP 55 Ca 0.14 0.87 0.19 0.00 -1.51 0.00 0.00 54.79 54.48 2day n ASP 55 Cb 0.45 -0.50 0.36 0.00 2.34 0.00 0.00 41.12 43.78 2day n ASP 55 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2day n SER 56 N -1.99 0.13 -4.49 1.67 7.64 -1.26 -4.18 113.62 111.14 2day n SER 56 Ca 0.00 1.26 -0.43 0.00 1.01 0.00 0.00 58.87 60.71 2day n SER 56 Cb 0.00 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 62.56 2day n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2day n GLN 57 N -4.83 0.77 -3.73 1.43 1.13 -1.20 -4.88 117.38 106.06 2day n GLN 57 Ca 0.25 0.11 -0.13 0.00 -1.94 0.00 0.00 57.00 55.29 2day n GLN 57 Cb 0.83 -2.53 -0.10 0.00 0.11 0.00 0.00 30.24 28.55 2day n GLN 57 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2day s TYR 58 N 9.41 -0.46 -0.27 1.08 6.14 -1.26 -4.91 117.35 127.08 2day s TYR 58 Ca 1.13 1.13 -0.25 0.00 0.64 0.00 0.00 57.07 59.71 2day s TYR 58 Cb -0.74 0.16 0.07 0.00 0.42 0.00 0.00 41.96 41.87 2day s TYR 58 CO 0.41 -0.22 0.72 0.14 0.64 0.00 0.00 175.55 177.24 2day s VAL 59 N 0.26 0.00 -0.06 3.14 -7.23 -1.26 -4.49 120.40 110.75 2day s VAL 59 Ca -0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 2day s VAL 59 Cb -0.03 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 35.98 2day s VAL 59 CO 0.00 0.00 0.69 0.00 -0.31 0.00 0.00 175.10 175.48 2day s PHE 61 N -1.13 -0.30 -0.26 0.00 -0.12 -1.24 -0.77 117.98 114.17 2day s PHE 61 Ca -0.10 0.29 -0.11 0.00 -0.05 0.00 0.00 56.93 56.96 2day s PHE 61 Cb -0.00 0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 2day s PHE 61 CO 0.09 -0.58 0.17 0.99 -0.05 0.00 0.00 175.22 175.84 2day s THR 62 N -2.42 5.32 -0.41 -4.49 2.01 -0.93 -2.62 115.64 112.11 2day s THR 62 Ca -0.06 0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.91 2day s THR 62 Cb -0.01 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 69.01 2day s THR 62 CO -0.02 0.30 0.64 -0.22 -0.69 0.00 0.00 174.62 174.63 2day s LEU 63 N 1.37 4.41 -0.28 4.42 0.20 0.76 -1.28 118.68 128.27 2day s LEU 63 Ca 0.07 -0.17 -0.10 0.00 0.69 0.00 0.00 54.13 54.63 2day s LEU 63 Cb -0.15 -2.74 -0.04 0.00 -0.43 0.00 0.00 46.19 42.83 2day s LEU 63 CO 0.07 -0.71 0.16 -0.69 -0.29 0.00 0.00 176.35 174.90 2day s VAL 64 N 2.77 5.00 -0.30 1.68 1.01 -0.09 -2.30 120.40 128.17 2day s VAL 64 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 2day s VAL 64 Cb -0.14 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 32.89 2day s VAL 64 CO 0.17 0.23 -0.01 -0.76 0.00 0.00 0.00 175.10 174.74 2day s LEU 65 N 1.71 3.85 -0.58 3.92 1.43 0.55 -1.82 118.68 127.74 2day s LEU 65 Ca 0.07 -1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 51.72 2day s LEU 65 Cb -0.16 -1.69 0.14 0.00 0.03 0.00 0.00 46.19 44.51 2day s LEU 65 CO 0.09 -0.25 0.53 -1.58 0.23 0.00 0.00 176.35 175.37 2day s GLN 66 N 1.24 3.06 -0.23 1.70 0.74 -0.97 -1.52 119.66 123.67 2day s GLN 66 Ca -0.06 -1.82 -0.29 0.00 0.05 0.00 0.00 55.36 53.24 2day s GLN 66 Cb -0.20 -4.30 0.00 0.00 1.10 0.00 0.00 33.01 29.61 2day s GLN 66 CO -0.01 -1.32 1.16 0.08 -0.55 0.00 0.00 175.29 174.64 2day s VAL 67 N 1.39 4.44 0.06 1.34 1.01 -0.56 -1.31 120.40 126.77 2day s VAL 67 Ca 0.05 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.74 2day s VAL 67 Cb -0.27 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 31.92 2day s VAL 67 CO 0.01 -0.26 0.05 -0.81 0.00 0.00 0.00 175.10 174.10 2day n PRO 68 N 6.65 -1.13 0.11 2.72 -0.04 -1.26 -1.22 135.00 140.83 2day n PRO 68 Ca 0.13 -0.08 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 2day n PRO 68 Cb 0.46 -0.08 -0.15 0.00 -0.04 0.00 0.00 33.50 33.69 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 -2.04 -0.10 -0.69 0.55 0.00 -1.95 -3.33 119.26 111.71 2day h ALA 69 Ca -0.02 -0.85 0.09 0.00 0.00 0.00 0.00 54.91 54.13 2day h ALA 69 Cb 0.06 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2day h ALA 69 CO 0.01 0.64 0.33 0.93 0.00 0.00 0.00 179.25 181.16 2day h GLU 70 N -0.03 0.54 -2.78 0.00 4.39 -1.93 -3.44 114.58 111.32 2day h GLU 70 Ca -0.24 -0.03 -0.31 0.00 0.34 0.00 0.00 59.36 59.12 2day h GLU 70 Cb 1.99 -0.12 0.05 0.00 -0.10 0.00 0.00 28.75 30.57 2day h GLU 70 CO 0.22 0.36 -0.26 0.98 -1.16 0.00 0.00 179.01 179.15 2day n TYR 71 N -4.89 -0.27 0.23 4.33 4.19 -1.24 -1.98 117.16 117.52 2day n TYR 71 Ca 0.10 0.44 0.10 0.00 3.31 0.00 0.00 57.90 61.85 2day n TYR 71 Cb 0.27 -0.90 0.51 0.00 0.49 0.00 0.00 39.34 39.71 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 0.44 0.00 -0.68 2.98 0.13 -1.92 -3.44 132.00 129.51 2day h PRO 72 Ca -0.13 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.27 2day h PRO 72 Cb 0.67 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.69 2day h PRO 72 CO 0.26 0.23 0.40 0.72 -0.23 0.00 0.00 178.00 179.37 2day n HIS 73 N -3.50 0.63 -4.66 1.56 8.25 -0.84 -4.04 115.22 112.62 2day n HIS 73 Ca -0.01 0.63 -0.31 0.00 -0.26 0.00 0.00 57.72 57.78 2day n HIS 73 Cb 0.39 -1.06 -0.12 0.00 1.12 0.00 0.00 29.99 30.32 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 -4.83 2.25 0.34 -0.41 2.12 -1.25 -4.97 118.70 111.95 2day s GLU 74 Ca -0.05 -0.88 -0.27 0.00 0.36 0.00 0.00 54.97 54.14 2day s GLU 74 Cb 0.20 -2.29 -0.09 0.00 0.26 0.00 0.00 34.13 32.21 2day s GLU 74 CO 0.48 0.57 1.05 0.14 -0.54 0.00 0.00 175.26 176.96 2day s VAL 75 N -0.91 3.70 0.20 3.70 -7.23 -1.26 -3.68 120.40 114.93 2day s VAL 75 Ca 0.15 1.48 -0.30 0.00 -1.81 0.00 0.00 61.98 61.49 2day s VAL 75 Cb -0.11 -3.85 -0.09 0.00 0.56 0.00 0.00 36.38 32.90 2day s VAL 75 CO 0.05 0.18 1.30 -2.16 -0.31 0.00 0.00 175.10 174.16 2day s PRO 76 N -1.99 4.39 -0.38 4.82 0.04 -1.26 -4.71 135.00 135.91 2day s PRO 76 Ca 0.51 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.33 2day s PRO 76 Cb -0.26 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.03 2day s PRO 76 CO 0.32 -0.24 2.28 -1.14 0.04 0.00 0.00 177.00 178.26 2day s GLN 77 N -0.15 2.61 -0.14 4.56 0.74 -0.43 -4.78 119.66 122.07 2day s GLN 77 Ca 0.56 1.63 -0.27 0.00 0.05 0.00 0.00 55.36 57.34 2day s GLN 77 Cb -0.36 -4.47 -0.02 0.00 1.10 0.00 0.00 33.01 29.26 2day s GLN 77 CO 0.38 -2.70 0.88 0.42 -0.55 0.00 0.00 175.29 173.72 2day s ILE 78 N 10.19 4.86 0.07 -2.34 1.01 -1.26 -2.29 121.20 131.44 2day s ILE 78 Ca 0.97 1.76 -0.09 0.00 0.00 0.00 0.00 60.65 63.28 2day s ILE 78 Cb -0.24 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.05 2day s ILE 78 CO 0.30 0.04 0.20 -0.44 0.00 0.00 0.00 174.94 175.04 2day s SER 79 N 1.11 0.07 -0.10 3.58 0.01 -0.75 -5.05 113.70 112.56 2day s SER 79 Ca 0.42 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 57.19 2day s SER 79 Cb -0.17 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.39 2day s SER 79 CO 0.15 -0.65 -0.16 -0.63 0.41 0.00 0.00 173.24 172.35 2day s ILE 80 N -3.26 1.55 0.10 1.44 1.01 -1.26 -0.91 121.20 119.86 2day s ILE 80 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.03 2day s ILE 80 Cb 0.02 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2day s ILE 80 CO -0.08 0.45 -0.07 -0.13 0.00 0.00 0.00 174.94 175.11 2day s ARG 81 N 0.82 2.24 -1.28 2.79 0.52 -0.41 -4.68 118.95 118.96 2day s ARG 81 Ca -0.10 -0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 54.03 2day s ARG 81 Cb -0.16 -2.37 -0.00 0.00 0.52 0.00 0.00 34.95 32.94 2day s ARG 81 CO 0.01 0.52 0.60 0.09 0.02 0.00 0.00 175.30 176.54 2day n ASN 82 N 0.66 -2.70 -4.56 0.23 3.02 -1.26 -2.18 115.26 108.47 2day n ASN 82 Ca -0.13 -1.03 -0.27 0.00 -0.03 0.00 0.00 54.58 53.12 2day n ASN 82 Cb 0.52 -3.13 -0.05 0.00 -0.61 0.00 0.00 39.78 36.51 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2day s PRO 83 N -6.35 2.56 -0.05 3.52 0.04 -1.26 -4.27 135.00 129.18 2day s PRO 83 Ca 0.23 -0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.00 2day s PRO 83 Cb -0.09 -5.02 -0.04 0.00 0.04 0.00 0.00 34.50 29.39 2day s PRO 83 CO 0.88 -3.34 0.17 0.50 0.04 0.00 0.00 177.00 175.26 2day s ARG 84 N 7.02 3.45 0.00 4.56 6.06 0.05 -4.40 118.95 135.69 2day s ARG 84 Ca 0.70 -0.22 0.00 0.00 -2.50 0.00 0.00 55.73 53.71 2day s ARG 84 Cb -0.07 -3.14 0.00 0.00 0.06 0.00 0.00 34.95 31.80 2day s ARG 84 CO 0.01 0.72 0.00 0.41 -2.50 0.00 0.00 175.30 173.93 2day n GLY 85 N 1.39 2.06 3.99 8.12 0.00 -1.26 -0.78 105.19 118.70 2day n GLY 85 Ca -0.15 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 3.65 0.49 0.99 1.43 -1.26 -4.90 118.68 119.07 2day s LEU 86 Ca 0.00 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 2day s LEU 86 Cb 0.00 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 2day s LEU 86 CO 0.00 -0.76 0.16 -0.44 0.23 0.00 0.00 176.35 175.55 2day s SER 87 N -4.30 4.33 0.21 2.29 0.01 -1.26 -4.93 113.70 110.05 2day s SER 87 Ca 0.52 -1.37 -0.10 0.00 1.31 0.00 0.00 55.95 56.31 2day s SER 87 Cb -0.10 0.18 0.30 0.00 0.21 0.00 0.00 66.02 66.61 2day s SER 87 CO 0.35 -0.82 1.69 0.44 0.41 0.00 0.00 173.24 175.31 2day h ASP 88 N 1.22 -0.08 0.27 2.44 3.32 -1.99 0.07 116.42 121.68 2day h ASP 88 Ca -0.42 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2day h ASP 88 Cb 1.29 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 2day h ASP 88 CO 0.69 -0.03 -0.23 -0.08 -1.72 0.00 0.00 179.24 177.86 2day h GLU 89 N 0.21 -0.48 -0.15 3.56 4.81 -2.00 -2.41 114.58 118.13 2day h GLU 89 Ca 0.32 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.61 2day h GLU 89 Cb 0.50 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 2day h GLU 89 CO -0.44 -0.32 -0.50 1.96 -0.73 0.00 0.00 179.01 178.98 2day h GLN 90 N -0.49 -0.49 -0.47 1.92 1.08 -1.90 -2.05 115.11 112.70 2day h GLN 90 Ca -0.04 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 2day h GLN 90 Cb 0.42 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 2day h GLN 90 CO -0.01 -0.33 -0.28 -0.89 -0.95 0.00 0.00 178.83 176.37 2day n ILE 91 N -5.15 -0.32 -0.30 2.54 5.41 -0.01 0.12 119.36 121.64 2day n ILE 91 Ca -0.05 1.64 0.12 0.00 1.00 0.00 0.00 62.75 65.46 2day n ILE 91 Cb 0.34 -2.07 0.29 0.00 -0.71 0.00 0.00 39.64 37.49 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 0.67 -0.66 1.39 2.76 -1.06 0.85 115.15 119.10 2day h HIS 92 Ca 0.08 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 2day h HIS 92 Cb 0.19 -0.16 -0.06 0.00 1.55 0.00 0.00 27.41 28.94 2day h HIS 92 CO -0.80 -0.01 0.36 1.15 -1.30 0.00 0.00 177.93 177.33 2day h THR 93 N 0.44 0.95 -0.92 6.26 2.02 0.16 -1.34 112.91 120.48 2day h THR 93 Ca 0.54 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.54 2day h THR 93 Cb 0.99 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 2day h THR 93 CO -0.50 0.12 0.60 0.40 0.37 0.00 0.00 175.52 176.51 2day h ILE 94 N 0.65 1.14 -0.06 3.11 2.04 0.53 -1.44 117.51 123.49 2day h ILE 94 Ca 0.30 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 2day h ILE 94 Cb 0.21 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 2day h ILE 94 CO -0.19 0.21 -0.48 -0.07 0.00 0.00 0.00 178.15 177.62 2day h LEU 95 N 1.14 0.17 0.66 1.44 3.38 -0.97 -3.12 115.31 118.01 2day h LEU 95 Ca 0.37 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2day h LEU 95 Cb 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2day h LEU 95 CO -0.12 0.62 -0.36 1.56 0.09 0.00 0.00 178.44 180.23 2day h GLN 96 N 0.13 -0.91 -0.00 1.13 4.20 -0.21 -0.32 115.11 119.13 2day h GLN 96 Ca 0.01 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2day h GLN 96 Cb 0.89 0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 2day h GLN 96 CO 0.07 -0.60 -0.02 0.28 -0.67 0.00 0.00 178.83 177.89 2day h VAL 97 N -0.94 0.00 -0.92 -0.54 2.07 -1.57 -2.30 116.25 112.05 2day h VAL 97 Ca -0.09 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.65 2day h VAL 97 Cb 0.74 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.34 2day h VAL 97 CO 0.12 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.57 2day h LEU 98 N -0.02 -0.59 -0.78 2.57 3.38 -1.63 0.21 115.31 118.44 2day h LEU 98 Ca 0.00 0.26 0.14 0.00 0.09 0.00 0.00 57.88 58.37 2day h LEU 98 Cb 0.02 0.49 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 2day h LEU 98 CO -0.01 -0.30 -0.24 0.61 0.09 0.00 0.00 178.44 178.58 2day n GLY 99 N -1.52 -1.44 0.07 0.83 0.00 -0.13 0.19 105.19 103.20 2day n GLY 99 Ca 0.18 0.85 -0.13 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.07 -1.08 1.61 -0.00 -0.93 -2.97 115.15 111.71 2day h HIS 100 Ca 0.33 -0.00 0.31 0.00 -0.00 0.00 0.00 60.37 61.01 2day h HIS 100 Cb 0.53 0.02 -0.12 0.00 -0.00 0.00 0.00 27.41 27.84 2day h HIS 100 CO -0.64 0.22 0.67 0.28 -0.00 0.00 0.00 177.93 178.47 2day h VAL 101 N -0.36 0.39 0.51 5.26 2.07 -0.16 0.18 116.25 124.14 2day h VAL 101 Ca -0.01 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2day h VAL 101 Cb 0.32 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2day h VAL 101 CO 0.01 0.06 -0.41 0.00 0.02 0.00 0.00 177.57 177.25 2day h ALA 102 N 1.69 -0.96 -0.20 1.67 0.00 -0.93 -2.14 119.26 118.40 2day h ALA 102 Ca 0.69 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 2day h ALA 102 Cb 1.72 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 2day h ALA 102 CO -0.43 -1.07 0.02 0.87 0.00 0.00 0.00 179.25 178.65 2day h LYS 103 N -0.91 0.35 0.00 0.00 1.57 -1.17 -2.44 116.57 113.97 2day h LYS 103 Ca -0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2day h LYS 103 Cb 0.77 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2day h LYS 103 CO -0.01 0.51 0.36 0.00 -0.57 0.00 0.00 179.45 179.75 2day h ALA 104 N 0.82 1.31 -0.70 3.86 0.00 -0.65 0.13 119.26 124.04 2day h ALA 104 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.46 2day h ALA 104 Cb 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.73 2day h ALA 104 CO 0.01 -0.31 -0.81 0.41 0.00 0.00 0.00 179.25 178.55 2day n GLY 105 N -1.26 6.20 3.85 0.00 0.00 -0.81 -5.05 105.19 108.11 2day n GLY 105 Ca -0.01 -2.54 -0.32 0.00 0.00 0.00 0.00 46.02 43.14 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 -3.58 3.95 0.00 0.99 1.43 0.44 -4.03 118.68 117.88 2day s LEU 106 Ca 0.50 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 2day s LEU 106 Cb 0.41 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2day s LEU 106 CO 0.03 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2day n GLY 107 N -0.73 2.98 3.29 -3.19 0.00 -1.26 -5.00 105.19 101.28 2day n GLY 107 Ca 0.04 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.79 0.05 0.06 2.61 -4.23 -1.26 -4.95 115.64 105.13 2day s THR 108 Ca 0.00 -2.00 -0.37 0.00 -1.18 0.00 0.00 61.69 58.14 2day s THR 108 Cb 0.00 -2.49 -0.16 0.00 1.34 0.00 0.00 72.50 71.19 2day s THR 108 CO 0.00 0.00 1.39 0.00 -0.54 0.00 0.00 174.62 175.47 2day n ALA 109 N -0.60 -0.79 0.00 3.99 0.00 -1.26 -4.84 120.51 117.01 2day n ALA 109 Ca 0.06 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2day n ALA 109 Cb 0.63 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 2.82 1.10 -0.26 0.00 3.85 -1.26 -4.83 117.12 118.54 2day n MET 110 Ca 0.19 0.00 0.09 0.00 -1.00 0.00 0.00 57.70 56.98 2day n MET 110 Cb 0.19 -0.71 0.18 0.00 -1.05 0.00 0.00 33.22 31.83 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 -1.39 -0.15 0.12 3.17 4.77 -1.26 -0.09 117.00 122.18 2day n LEU 111 Ca 0.00 1.26 -0.12 0.00 -0.03 0.00 0.00 56.01 57.12 2day n LEU 111 Cb 0.21 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 2day n LEU 111 CO 0.00 -1.25 0.51 0.22 -1.33 0.00 0.00 177.39 175.54 2day h TYR 112 N 0.00 -1.00 -0.60 -1.77 5.03 -2.00 -1.73 116.97 114.90 2day h TYR 112 Ca 0.42 0.02 0.12 0.00 2.58 0.00 0.00 58.73 61.86 2day h TYR 112 Cb 0.79 0.41 -0.12 0.00 1.55 0.00 0.00 36.73 39.37 2day h TYR 112 CO -0.44 -0.42 -0.18 0.93 -1.32 0.00 0.00 178.16 176.73 2day h GLU 113 N -0.57 -0.03 -0.94 1.82 3.07 -0.83 0.18 114.58 117.28 2day h GLU 113 Ca -0.02 0.00 0.21 0.00 -0.50 0.00 0.00 59.36 59.05 2day h GLU 113 Cb 0.54 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 28.34 2day h GLU 113 CO -0.14 -0.02 0.50 -0.07 -1.40 0.00 0.00 179.01 177.88 2day h LEU 114 N -0.03 0.55 0.00 1.33 3.38 -0.94 0.26 115.31 119.85 2day h LEU 114 Ca 0.28 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2day h LEU 114 Cb 0.47 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2day h LEU 114 CO -0.63 0.12 0.00 -0.38 0.09 0.00 0.00 178.44 177.63 2day n ILE 115 N -4.92 0.00 -0.30 1.22 5.41 0.51 -1.52 119.36 119.77 2day n ILE 115 Ca 0.23 0.91 0.30 0.00 1.00 0.00 0.00 62.75 65.19 2day n ILE 115 Cb 0.63 -1.86 0.54 0.00 -0.71 0.00 0.00 39.64 38.24 2day n ILE 115 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2day n GLU 116 N -1.86 -0.05 0.27 0.38 0.28 -0.48 -0.24 120.64 118.95 2day n GLU 116 Ca 0.00 1.25 -0.12 0.00 -0.16 0.00 0.00 57.16 58.13 2day n GLU 116 Cb 0.00 -2.26 -0.06 0.00 1.43 0.00 0.00 31.44 30.55 2day n GLU 116 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2day h LYS 117 N 0.00 -0.71 -0.78 3.44 1.63 -1.01 -3.21 116.57 115.94 2day h LYS 117 Ca 0.78 0.05 0.26 0.00 -0.85 0.00 0.00 60.65 60.88 2day h LYS 117 Cb 2.08 0.16 -0.14 0.00 -0.60 0.00 0.00 32.23 33.73 2day h LYS 117 CO -0.69 -0.45 0.17 0.41 -3.45 0.00 0.00 179.45 175.44 2day n GLY 118 N -0.17 -0.88 0.30 5.01 0.00 0.67 0.22 105.19 110.34 2day n GLY 118 Ca -0.10 0.71 -0.05 0.00 0.00 0.00 0.00 46.02 46.59 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 1.00 0.26 1.61 1.57 -1.50 -2.98 116.57 116.53 2day h LYS 119 Ca 0.54 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.22 2day h LYS 119 Cb 1.26 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2day h LYS 119 CO -0.68 0.71 -0.12 0.93 -0.57 0.00 0.00 179.45 179.71 2day h GLU 120 N 1.01 -0.34 -0.99 3.15 5.08 0.27 -2.76 114.58 120.00 2day h GLU 120 Ca 0.27 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 59.02 2day h GLU 120 Cb -0.04 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 29.11 2day h GLU 120 CO -0.05 -0.16 0.41 0.82 -1.00 0.00 0.00 179.01 179.03 2day h ILE 121 N -0.43 0.05 0.04 3.13 2.04 -1.22 0.38 117.51 121.50 2day h ILE 121 Ca -0.04 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2day h ILE 121 Cb 0.33 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2day h ILE 121 CO 0.06 0.01 -0.02 -0.07 0.00 0.00 0.00 178.15 178.13 2day h LEU 122 N 0.04 -0.05 -8.26 1.44 3.38 -1.44 -3.40 115.31 107.02 2day h LEU 122 Ca 0.77 -0.31 -0.69 0.00 0.09 0.00 0.00 57.88 57.74 2day h LEU 122 Cb 1.92 0.01 -0.28 0.00 0.09 0.00 0.00 40.66 42.40 2day h LEU 122 CO -0.78 0.29 -0.60 -0.94 0.09 0.00 0.00 178.44 176.49 2day s SER 123 N -5.47 5.34 0.20 -0.43 1.04 0.13 -4.77 113.70 109.74 2day s SER 123 Ca -0.15 -1.04 -0.11 0.00 0.48 0.00 0.00 55.95 55.13 2day s SER 123 Cb 0.03 -1.89 -0.00 0.00 0.10 0.00 0.00 66.02 64.26 2day s SER 123 CO 0.65 -0.31 0.38 -0.83 0.98 0.00 0.00 173.24 174.11 2day s GLY 124 N 1.44 0.44 -0.71 7.32 0.00 -1.23 -4.60 107.32 109.98 2day s GLY 124 Ca -0.00 -0.80 -0.26 0.00 0.00 0.00 0.00 44.72 43.65 2day s GLY 124 CO 0.03 -0.69 1.89 2.56 0.00 0.00 0.00 173.10 176.89 2day s PRO 125 N -3.98 2.60 -0.20 2.90 0.04 -1.26 -4.78 135.00 130.32 2day s PRO 125 Ca 0.18 0.32 -0.16 0.00 0.04 0.00 0.00 61.00 61.38 2day s PRO 125 Cb 0.01 -4.61 -0.08 0.00 0.04 0.00 0.00 34.50 29.86 2day s PRO 125 CO 0.03 -2.95 -0.28 0.43 0.04 0.00 0.00 177.00 174.27 2day n SER 126 N 13.18 1.91 -3.91 6.66 7.64 -1.26 -5.04 113.62 132.81 2day n SER 126 Ca 0.27 0.40 -0.10 0.00 1.01 0.00 0.00 58.87 60.44 2day n SER 126 Cb 0.50 -0.80 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 2day n SER 126 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2day s SER 127 N -6.33 0.10 0.00 6.43 1.04 -1.26 -5.35 113.70 108.33 2day s SER 127 Ca -0.29 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2day s SER 127 Cb 0.06 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2day s SER 127 CO 0.42 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.89