#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 1.78 0.17 1.61 0.01 -1.26 -5.15 113.70 110.86 2day s SER 2 Ca 0.00 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.03 2day s SER 2 Cb 0.00 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 2day s SER 2 CO 0.00 0.15 0.13 -0.44 0.41 0.00 0.00 173.24 173.49 2day s SER 3 N -0.11 5.48 -0.31 2.44 0.01 -1.26 -5.10 113.70 114.85 2day s SER 3 Ca 0.01 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.14 2day s SER 3 Cb -0.08 -1.42 0.15 0.00 0.21 0.00 0.00 66.02 64.88 2day s SER 3 CO 0.01 0.07 0.37 -0.83 0.41 0.00 0.00 173.24 173.26 2day s GLY 4 N -3.11 -0.31 0.22 3.44 0.00 -1.26 -5.13 107.32 101.17 2day s GLY 4 Ca 0.31 -0.25 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 2day s GLY 4 CO 0.23 2.85 1.21 -1.35 0.00 0.00 0.00 173.10 176.04 2day s SER 5 N 2.21 7.06 0.06 1.64 1.04 -1.26 -5.04 113.70 119.40 2day s SER 5 Ca 0.11 2.32 0.06 0.00 0.48 0.00 0.00 55.95 58.92 2day s SER 5 Cb -0.13 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 2day s SER 5 CO -0.25 -0.37 -0.16 -0.44 0.98 0.00 0.00 173.24 173.00 2day s SER 6 N -0.09 1.95 0.00 7.02 0.01 -1.26 -5.07 113.70 116.25 2day s SER 6 Ca 0.51 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2day s SER 6 Cb -0.34 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.78 2day s SER 6 CO 0.39 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.68 2day n GLY 7 N 1.57 -0.03 3.82 3.44 0.00 -1.26 -5.10 105.19 107.63 2day n GLY 7 Ca -0.19 0.00 -0.37 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 -0.36 3.84 0.03 1.61 -1.05 -1.26 -5.02 118.70 116.49 2day s GLU 8 Ca 0.00 0.14 -0.26 0.00 -0.15 0.00 0.00 54.97 54.70 2day s GLU 8 Cb 0.00 -3.26 -0.14 0.00 -0.44 0.00 0.00 34.13 30.28 2day s GLU 8 CO 0.00 0.60 1.30 0.93 0.95 0.00 0.00 175.26 179.04 2day h GLU 9 N 5.31 -0.91 -5.93 -4.83 4.39 -2.05 -3.45 114.58 107.12 2day h GLU 9 Ca -0.50 0.06 -0.27 0.00 0.34 0.00 0.00 59.36 58.99 2day h GLU 9 Cb 1.21 0.21 -0.16 0.00 -0.10 0.00 0.00 28.75 29.90 2day h GLU 9 CO 0.64 -0.60 -0.39 -3.47 -1.16 0.00 0.00 179.01 174.03 2day n ASP 10 N -4.72 -1.38 -4.46 1.42 2.03 -1.26 -4.66 116.55 103.53 2day n ASP 10 Ca -0.12 -0.24 -0.64 0.00 0.52 0.00 0.00 54.79 54.31 2day n ASP 10 Cb 0.37 -1.28 -0.10 0.00 -0.72 0.00 0.00 41.12 39.40 2day n ASP 10 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2day n TRP 11 N -3.17 1.63 0.15 -0.67 -0.00 -1.26 -4.81 117.44 109.31 2day n TRP 11 Ca 0.05 1.06 0.03 0.00 -0.00 0.00 0.00 57.50 58.64 2day n TRP 11 Cb 0.48 -2.11 0.11 0.00 -0.00 0.00 0.00 31.31 29.78 2day n TRP 11 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.69 177.45 2day h VAL 12 N 4.85 0.92 -0.19 5.87 3.04 -1.89 -3.30 116.25 125.55 2day h VAL 12 Ca -0.39 -2.11 0.03 0.00 -1.01 0.00 0.00 66.70 63.22 2day h VAL 12 Cb 1.30 2.31 -0.07 0.00 -2.01 0.00 0.00 31.29 32.83 2day h VAL 12 CO 0.93 0.49 -0.54 0.25 -1.01 0.00 0.00 177.57 177.69 2day h LEU 13 N 0.00 -1.75 -0.24 3.16 5.85 -1.89 0.19 115.31 120.63 2day h LEU 13 Ca -0.01 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2day h LEU 13 Cb 1.27 0.69 0.00 0.00 0.37 0.00 0.00 40.66 42.99 2day h LEU 13 CO 0.07 -0.46 0.00 -0.81 -0.34 0.00 0.00 178.44 176.89 2day n PRO 14 N -5.39 0.06 0.03 5.25 -0.04 -1.25 -2.32 135.00 131.34 2day n PRO 14 Ca -0.06 0.31 -0.21 0.00 -0.04 0.00 0.00 63.50 63.51 2day n PRO 14 Cb 0.37 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.43 -0.13 3.54 0.02 -0.84 -3.33 113.55 113.25 2day h SER 15 Ca 0.00 -0.90 -0.12 0.00 -0.84 0.00 0.00 61.79 59.93 2day h SER 15 Cb 0.28 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2day h SER 15 CO 0.00 1.49 -0.39 -0.08 -1.14 0.00 0.00 176.83 176.71 2day h GLU 16 N -0.35 0.49 -0.88 3.45 4.81 -0.70 -3.26 114.58 118.14 2day h GLU 16 Ca -0.21 -0.36 0.22 0.00 -0.13 0.00 0.00 59.36 58.88 2day h GLU 16 Cb 1.70 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.98 2day h GLU 16 CO 0.11 0.98 0.01 0.28 -0.73 0.00 0.00 179.01 179.66 2day h VAL 17 N 0.09 0.17 -0.98 0.32 2.07 -1.63 0.81 116.25 117.11 2day h VAL 17 Ca -0.01 -0.02 0.22 0.00 0.82 0.00 0.00 66.70 67.70 2day h VAL 17 Cb 1.02 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 2day h VAL 17 CO 0.08 0.01 0.63 -0.33 0.02 0.00 0.00 177.57 177.98 2day h GLU 18 N 0.06 0.52 0.06 1.57 5.08 -1.67 0.25 114.58 120.46 2day h GLU 18 Ca 0.51 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.71 2day h GLU 18 Cb 0.96 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.11 2day h GLU 18 CO -0.81 0.34 -0.54 0.28 -1.00 0.00 0.00 179.01 177.29 2day h VAL 19 N 0.53 1.54 0.32 3.13 2.07 0.44 -3.30 116.25 120.99 2day h VAL 19 Ca 0.55 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2day h VAL 19 Cb 1.18 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.93 2day h VAL 19 CO -0.29 0.64 -0.44 -0.07 0.02 0.00 0.00 177.57 177.43 2day h LEU 20 N -0.43 -1.23 -0.94 2.57 3.38 -0.03 -2.34 115.31 116.29 2day h LEU 20 Ca -0.09 0.11 0.24 0.00 0.09 0.00 0.00 57.88 58.24 2day h LEU 20 Cb 1.36 0.43 -0.17 0.00 0.09 0.00 0.00 40.66 42.36 2day h LEU 20 CO 0.10 -0.56 -0.03 -0.33 0.09 0.00 0.00 178.44 177.71 2day h GLU 21 N -0.81 0.03 -0.89 1.13 4.39 -1.14 0.78 114.58 118.07 2day h GLU 21 Ca -0.02 -0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.89 2day h GLU 21 Cb 0.75 -0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.27 2day h GLU 21 CO -0.13 0.02 0.38 1.03 -1.16 0.00 0.00 179.01 179.14 2day h SER 22 N 0.03 0.31 0.00 1.42 0.87 -1.49 1.72 113.55 116.40 2day h SER 22 Ca 0.54 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 61.21 2day h SER 22 Cb 1.02 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2day h SER 22 CO -0.89 -0.00 -0.39 0.40 -0.53 0.00 0.00 176.83 175.42 2day h ILE 23 N 0.39 0.52 -1.01 2.23 2.04 0.38 -3.37 117.51 118.68 2day h ILE 23 Ca 0.55 -1.48 -0.54 0.00 1.00 0.00 0.00 64.86 64.39 2day h ILE 23 Cb 1.04 1.07 -0.21 0.00 -0.74 0.00 0.00 36.82 37.98 2day h ILE 23 CO -0.53 0.18 0.65 -1.22 0.00 0.00 0.00 178.15 177.23 2day n TYR 24 N -4.63 2.28 -0.27 1.37 4.01 0.11 -4.77 117.16 115.27 2day n TYR 24 Ca -0.10 -2.33 -0.07 0.00 -0.16 0.00 0.00 57.90 55.24 2day n TYR 24 Cb 0.30 -1.24 -0.06 0.00 -0.31 0.00 0.00 39.34 38.03 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 -0.04 -0.67 -0.13 7.72 4.77 0.58 -1.52 117.00 127.71 2day n LEU 25 Ca 0.48 1.31 -0.26 0.00 -0.03 0.00 0.00 56.01 57.50 2day n LEU 25 Cb 0.54 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 2day n LEU 25 CO 0.51 -1.01 -1.30 -0.67 -1.33 0.00 0.00 177.39 173.59 2day n ASP 26 N -4.54 1.96 -0.25 -1.43 -0.08 -1.26 -4.43 116.55 106.53 2day n ASP 26 Ca 0.01 0.26 0.21 0.00 -1.51 0.00 0.00 54.79 53.76 2day n ASP 26 Cb 0.17 -0.77 0.39 0.00 2.34 0.00 0.00 41.12 43.25 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2day n GLU 27 N -4.06 -0.05 -4.72 -0.67 1.02 -1.21 -4.17 120.64 106.78 2day n GLU 27 Ca -0.50 1.06 -0.26 0.00 -0.02 0.00 0.00 57.16 57.45 2day n GLU 27 Cb 0.89 -1.85 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 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 -9.57 2.14 0.13 -4.62 0.20 -0.58 -3.20 118.68 103.19 2day s LEU 28 Ca -0.08 -0.49 0.10 0.00 0.69 0.00 0.00 54.13 54.35 2day s LEU 28 Cb 0.25 -0.99 -0.04 0.00 -0.43 0.00 0.00 46.19 44.98 2day s LEU 28 CO 0.59 0.18 -0.20 -1.10 -0.29 0.00 0.00 176.35 175.53 2day s GLN 29 N -1.03 1.70 0.00 1.98 -1.52 0.92 -4.61 119.66 117.10 2day s GLN 29 Ca 0.08 -1.26 0.03 0.00 -1.95 0.00 0.00 55.36 52.25 2day s GLN 29 Cb -0.09 -2.04 -0.01 0.00 -0.22 0.00 0.00 33.01 30.65 2day s GLN 29 CO 0.01 0.46 -0.10 0.08 -0.25 0.00 0.00 175.29 175.50 2day s VAL 30 N -1.24 0.76 -0.69 1.09 1.01 -1.26 -1.00 120.40 119.07 2day s VAL 30 Ca 0.18 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 2day s VAL 30 Cb -0.10 -0.66 0.18 0.00 0.00 0.00 0.00 36.38 35.80 2day s VAL 30 CO 0.10 0.12 0.58 -0.63 0.00 0.00 0.00 175.10 175.26 2day s ILE 31 N -0.41 4.72 -0.34 2.22 -1.09 0.44 -5.01 121.20 121.74 2day s ILE 31 Ca 0.02 -2.49 -0.28 0.00 -2.23 0.00 0.00 60.65 55.67 2day s ILE 31 Cb -0.05 -4.00 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 2day s ILE 31 CO -0.00 -0.93 2.31 0.29 -1.23 0.00 0.00 174.94 175.37 2day n LYS 32 N 4.01 1.53 -1.75 2.79 5.02 -1.26 -4.19 118.16 124.31 2day n LYS 32 Ca 0.07 0.31 -0.32 0.00 -2.02 0.00 0.00 58.31 56.34 2day n LYS 32 Cb 0.42 -3.25 -0.04 0.00 -0.02 0.00 0.00 35.03 32.15 2day n LYS 32 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2day s GLY 33 N 9.78 -0.26 0.13 0.72 0.00 -1.26 -4.85 107.32 111.59 2day s GLY 33 Ca 1.01 -0.46 -0.29 0.00 0.00 0.00 0.00 44.72 44.98 2day s GLY 33 CO 0.33 3.88 1.50 -0.57 0.00 0.00 0.00 173.10 178.24 2day h ASN 34 N 16.36 -1.84 -3.37 1.64 -1.24 -1.99 -3.39 115.58 121.73 2day h ASN 34 Ca -0.17 0.26 -0.68 0.00 0.71 0.00 0.00 56.30 56.42 2day h ASN 34 Cb 1.17 0.78 -0.15 0.00 0.73 0.00 0.00 38.32 40.85 2day h ASN 34 CO 1.16 -0.30 -0.63 -0.83 -1.29 0.00 0.00 177.43 175.54 2day s GLY 35 N -2.30 1.83 0.69 1.57 0.00 -1.26 -5.11 107.32 102.74 2day s GLY 35 Ca -0.12 -0.83 -0.11 0.00 0.00 0.00 0.00 44.72 43.65 2day s GLY 35 CO 0.56 -0.61 0.45 -2.13 0.00 0.00 0.00 173.10 171.37 2day n ARG 36 N 2.06 -3.06 -2.63 2.90 3.00 -1.26 -4.47 116.66 113.19 2day n ARG 36 Ca -0.18 -0.75 -0.07 0.00 -0.00 0.00 0.00 57.85 56.86 2day n ARG 36 Cb 0.53 -0.89 0.02 0.00 0.00 0.00 0.00 32.46 32.12 2day n ARG 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2day n THR 37 N -4.20 -0.70 -3.63 5.15 -1.04 -1.26 -5.03 114.28 103.57 2day n THR 37 Ca 0.07 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.00 2day n THR 37 Cb 0.29 -1.95 -0.07 0.00 -1.82 0.00 0.00 70.33 66.78 2day n THR 37 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2day s SER 38 N -3.00 -0.35 0.57 8.00 0.15 -1.26 -5.17 113.70 112.65 2day s SER 38 Ca 0.12 0.63 -0.18 0.00 0.70 0.00 0.00 55.95 57.23 2day s SER 38 Cb -0.05 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 2day s SER 38 CO 0.15 -0.15 1.12 -2.16 1.20 0.00 0.00 173.24 173.41 2day s PRO 39 N -0.02 3.20 0.97 5.44 0.04 -1.26 -4.87 135.00 138.50 2day s PRO 39 Ca 0.04 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.47 2day s PRO 39 Cb -0.04 -1.99 0.22 0.00 0.04 0.00 0.00 34.50 32.73 2day s PRO 39 CO -0.07 -0.96 1.32 0.91 0.04 0.00 0.00 177.00 178.24 2day n TRP 40 N -1.61 -3.92 -3.72 0.56 7.02 -0.50 -4.96 117.44 110.32 2day n TRP 40 Ca 0.11 -1.23 -0.12 0.00 -1.02 0.00 0.00 57.50 55.24 2day n TRP 40 Cb 0.51 -1.01 -0.12 0.00 -2.42 0.00 0.00 31.31 28.27 2day n TRP 40 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2day s GLU 41 N -5.87 0.29 0.01 -0.99 2.12 -1.26 -3.76 118.70 109.23 2day s GLU 41 Ca 0.75 0.59 0.02 0.00 0.36 0.00 0.00 54.97 56.69 2day s GLU 41 Cb -0.02 -0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.32 2day s GLU 41 CO 0.53 -0.14 -0.06 0.42 -0.54 0.00 0.00 175.26 175.47 2day s ILE 42 N 1.12 0.43 0.13 -3.70 1.01 -0.65 -0.42 121.20 119.14 2day s ILE 42 Ca -0.08 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.15 2day s ILE 42 Cb -0.08 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 2day s ILE 42 CO -0.08 -0.04 -0.13 -0.31 0.00 0.00 0.00 174.94 174.38 2day s TYR 43 N -0.50 1.36 -0.02 3.97 2.02 -0.17 -0.52 117.35 123.49 2day s TYR 43 Ca -0.02 -0.61 -0.29 0.00 -0.37 0.00 0.00 57.07 55.79 2day s TYR 43 Cb -0.04 -0.70 0.09 0.00 -0.40 0.00 0.00 41.96 40.91 2day s TYR 43 CO -0.00 0.14 0.79 -1.50 -1.57 0.00 0.00 175.55 173.41 2day s ILE 44 N -2.47 0.00 -0.23 2.71 2.07 -0.98 -0.05 121.20 122.24 2day s ILE 44 Ca 0.11 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.34 2day s ILE 44 Cb -0.03 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.58 2day s ILE 44 CO 0.03 0.00 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.08 2day s THR 45 N -2.16 2.74 0.10 4.00 2.01 -1.19 -0.32 115.64 120.82 2day s THR 45 Ca -0.02 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.03 2day s THR 45 Cb -0.01 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 2day s THR 45 CO -0.01 0.27 0.10 -0.76 -0.69 0.00 0.00 174.62 173.53 2day s LEU 46 N 1.32 3.84 0.04 4.42 1.43 -1.08 -4.99 118.68 123.66 2day s LEU 46 Ca 0.01 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2day s LEU 46 Cb -0.16 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 2day s LEU 46 CO -0.06 0.14 0.10 -1.38 0.23 0.00 0.00 176.35 175.39 2day s HIS 47 N -1.49 0.21 0.08 0.29 -3.43 -1.26 -3.36 115.29 106.33 2day s HIS 47 Ca 0.30 -0.55 -0.31 0.00 -0.80 0.00 0.00 55.06 53.70 2day s HIS 47 Cb -0.12 -0.15 -0.07 0.00 -1.43 0.00 0.00 32.58 30.81 2day s HIS 47 CO 0.23 -0.39 1.38 -1.25 -2.00 0.00 0.00 174.74 172.71 2day s PRO 48 N -2.86 4.32 -0.33 -0.38 0.04 -1.26 -4.90 135.00 129.63 2day s PRO 48 Ca -0.03 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.04 2day s PRO 48 Cb 0.00 -3.34 0.26 0.00 0.04 0.00 0.00 34.50 31.46 2day s PRO 48 CO -0.06 -0.46 1.91 0.00 0.04 0.00 0.00 177.00 178.44 2day n ALA 49 N 4.32 5.02 -0.00 8.56 0.00 -1.26 -3.84 120.51 133.30 2day n ALA 49 Ca 0.12 -1.77 0.02 0.00 0.00 0.00 0.00 53.44 51.81 2day n ALA 49 Cb 0.43 -1.38 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 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 0.11 0.00 -4.41 0.00 5.66 -1.26 -5.03 114.28 109.35 2day n THR 50 Ca 0.33 -0.11 -0.26 0.00 -3.05 0.00 0.00 64.05 60.95 2day n THR 50 Cb 0.69 0.38 -0.12 0.00 -1.55 0.00 0.00 70.33 69.73 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 -2.35 2.44 -0.19 1.79 0.00 -1.25 -5.03 121.76 117.17 2day s ALA 51 Ca -0.02 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.34 2day s ALA 51 Cb 0.03 -0.32 0.09 0.00 0.00 0.00 0.00 23.12 22.93 2day s ALA 51 CO 0.21 0.42 2.18 -0.85 0.00 0.00 0.00 175.76 177.72 2day n GLU 52 N 0.37 1.58 -3.39 0.00 0.28 -1.26 -4.71 120.64 113.50 2day n GLU 52 Ca -0.13 -1.03 -0.19 0.00 -0.16 0.00 0.00 57.16 55.65 2day n GLU 52 Cb 0.56 -1.46 0.07 0.00 1.43 0.00 0.00 31.44 32.03 2day n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2day n ASP 53 N 0.95 -4.95 -4.59 -1.84 2.03 -1.26 -4.92 116.55 101.96 2day n ASP 53 Ca 0.22 -0.47 -0.41 0.00 0.52 0.00 0.00 54.79 54.65 2day n ASP 53 Cb 0.57 -4.36 0.02 0.00 -0.72 0.00 0.00 41.12 36.63 2day n ASP 53 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2day n GLN 54 N -4.19 1.18 -0.08 -0.67 7.27 -1.26 -4.94 117.38 114.70 2day n GLN 54 Ca -0.05 0.43 -0.14 0.00 0.07 0.00 0.00 57.00 57.31 2day n GLN 54 Cb 0.57 -1.99 -0.11 0.00 2.41 0.00 0.00 30.24 31.12 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 1.28 0.00 -0.81 1.69 5.19 -2.03 -3.35 116.42 118.39 2day h ASP 55 Ca -0.45 -0.78 0.28 0.00 -0.62 0.00 0.00 57.03 55.46 2day h ASP 55 Cb 1.35 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.71 2day h ASP 55 CO 0.55 1.06 0.21 -1.54 -3.12 0.00 0.00 179.24 176.40 2day n SER 56 N -4.59 0.08 -3.95 6.45 3.41 -1.26 -4.36 113.62 109.41 2day n SER 56 Ca -0.14 1.36 -0.10 0.00 -0.26 0.00 0.00 58.87 59.73 2day n SER 56 Cb 0.48 -0.57 -0.12 0.00 -0.26 0.00 0.00 64.21 63.74 2day n SER 56 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2day s GLN 57 N -5.51 0.23 0.28 4.33 -1.52 -1.26 -5.17 119.66 111.05 2day s GLN 57 Ca -0.09 -0.44 -0.01 0.00 -1.95 0.00 0.00 55.36 52.87 2day s GLN 57 Cb 0.25 0.07 -0.02 0.00 -0.22 0.00 0.00 33.01 33.10 2day s GLN 57 CO 0.63 -0.03 0.32 1.52 -0.25 0.00 0.00 175.29 177.48 2day s TYR 58 N -1.05 1.14 -0.30 0.91 1.13 -1.26 -4.37 117.35 113.55 2day s TYR 58 Ca -0.11 -1.31 -0.13 0.00 -1.41 0.00 0.00 57.07 54.11 2day s TYR 58 Cb -0.07 -0.33 0.18 0.00 -1.10 0.00 0.00 41.96 40.63 2day s TYR 58 CO -0.01 -0.90 1.05 0.54 -2.51 0.00 0.00 175.55 173.72 2day s VAL 59 N -3.64 -0.32 -0.00 -3.49 0.11 -1.26 -4.39 120.40 107.39 2day s VAL 59 Ca 0.34 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.38 2day s VAL 59 Cb 0.02 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.95 2day s VAL 59 CO 0.18 0.00 0.02 0.00 -3.33 0.00 0.00 175.10 171.97 2day s PHE 61 N -0.65 0.64 -0.35 0.00 -0.12 -1.21 -2.99 117.98 113.30 2day s PHE 61 Ca -0.07 -0.23 -0.19 0.00 -0.05 0.00 0.00 56.93 56.38 2day s PHE 61 Cb -0.04 -0.40 -0.00 0.00 -0.63 0.00 0.00 43.02 41.94 2day s PHE 61 CO -0.00 -0.03 0.58 0.99 -0.05 0.00 0.00 175.22 176.71 2day s THR 62 N -0.55 4.95 -0.43 -4.49 2.01 -1.15 -2.65 115.64 113.34 2day s THR 62 Ca -0.01 0.48 -0.24 0.00 0.31 0.00 0.00 61.69 62.22 2day s THR 62 Cb -0.05 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2day s THR 62 CO 0.00 -0.26 0.86 -0.22 -0.69 0.00 0.00 174.62 174.31 2day s LEU 63 N 2.56 4.09 -0.41 4.42 0.20 0.57 -1.68 118.68 128.42 2day s LEU 63 Ca 0.22 0.18 -0.16 0.00 0.69 0.00 0.00 54.13 55.06 2day s LEU 63 Cb -0.15 -3.11 0.02 0.00 -0.43 0.00 0.00 46.19 42.52 2day s LEU 63 CO 0.14 -0.93 0.36 -0.69 -0.29 0.00 0.00 176.35 174.94 2day s VAL 64 N 3.47 5.19 -0.35 1.68 1.01 -0.76 -2.31 120.40 128.33 2day s VAL 64 Ca 0.34 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 2day s VAL 64 Cb -0.11 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2day s VAL 64 CO 0.22 -0.35 0.33 -0.76 0.00 0.00 0.00 175.10 174.54 2day s LEU 65 N 1.88 4.51 -0.64 3.92 1.43 0.33 -2.24 118.68 127.86 2day s LEU 65 Ca 0.08 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 2day s LEU 65 Cb -0.18 -2.28 0.16 0.00 0.03 0.00 0.00 46.19 43.92 2day s LEU 65 CO 0.12 -0.33 0.56 -1.58 0.23 0.00 0.00 176.35 175.34 2day s GLN 66 N 1.94 3.05 -0.46 1.70 0.74 -0.75 -1.63 119.66 124.25 2day s GLN 66 Ca 0.10 -2.09 -0.25 0.00 0.05 0.00 0.00 55.36 53.16 2day s GLN 66 Cb -0.17 -4.20 0.03 0.00 1.10 0.00 0.00 33.01 29.77 2day s GLN 66 CO 0.11 -1.27 0.93 0.08 -0.55 0.00 0.00 175.29 174.59 2day s VAL 67 N 0.83 4.47 0.25 1.34 1.01 -1.25 -0.95 120.40 126.10 2day s VAL 67 Ca 0.11 0.76 -0.04 0.00 0.00 0.00 0.00 61.98 62.80 2day s VAL 67 Cb -0.21 -4.44 0.06 0.00 0.00 0.00 0.00 36.38 31.80 2day s VAL 67 CO -0.03 -0.83 0.23 -0.81 0.00 0.00 0.00 175.10 173.65 2day n PRO 68 N 7.17 -1.47 0.04 2.72 -0.04 -1.26 -1.41 135.00 140.75 2day n PRO 68 Ca 0.06 -0.36 -0.19 0.00 -0.04 0.00 0.00 63.50 62.97 2day n PRO 68 Cb 0.48 -0.34 -0.12 0.00 -0.04 0.00 0.00 33.50 33.48 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 -2.15 0.03 -0.58 0.55 0.00 -1.96 -3.31 119.26 111.83 2day h ALA 69 Ca -0.09 -0.66 0.12 0.00 0.00 0.00 0.00 54.91 54.29 2day h ALA 69 Cb 0.26 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 2day h ALA 69 CO 0.06 0.47 -0.01 0.93 0.00 0.00 0.00 179.25 180.70 2day h GLU 70 N -0.01 0.11 -3.17 0.00 3.07 -1.94 -3.44 114.58 109.20 2day h GLU 70 Ca -0.12 -0.01 -0.35 0.00 -0.50 0.00 0.00 59.36 58.38 2day h GLU 70 Cb 1.56 -0.02 0.06 0.00 -0.84 0.00 0.00 28.75 29.51 2day h GLU 70 CO 0.16 0.07 -0.30 0.98 -1.40 0.00 0.00 179.01 178.53 2day n TYR 71 N -5.27 -0.32 0.26 4.33 4.19 -1.25 -1.64 117.16 117.46 2day n TYR 71 Ca 0.08 0.50 0.15 0.00 3.31 0.00 0.00 57.90 61.94 2day n TYR 71 Cb 0.32 -1.03 0.64 0.00 0.49 0.00 0.00 39.34 39.76 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 0.51 0.00 -0.66 2.98 0.13 -1.89 -3.44 132.00 129.62 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 0.76 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.77 2day h PRO 72 CO 0.30 0.08 0.35 0.72 -0.23 0.00 0.00 178.00 179.22 2day n HIS 73 N -3.24 0.76 -4.36 1.56 8.25 -0.65 -3.95 115.22 113.59 2day n HIS 73 Ca 0.00 0.78 -0.25 0.00 -0.26 0.00 0.00 57.72 57.99 2day n HIS 73 Cb 0.33 -1.21 -0.09 0.00 1.12 0.00 0.00 29.99 30.14 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 -5.02 1.94 0.09 -0.41 2.56 -1.25 -4.86 118.70 111.75 2day s GLU 74 Ca -0.06 -1.47 -0.17 0.00 0.00 0.00 0.00 54.97 53.27 2day s GLU 74 Cb 0.22 -2.02 -0.07 0.00 2.00 0.00 0.00 34.13 34.27 2day s GLU 74 CO 0.52 0.39 0.55 0.14 -0.56 0.00 0.00 175.26 176.29 2day s VAL 75 N -2.04 4.80 0.42 3.70 -7.23 -1.26 -3.79 120.40 115.00 2day s VAL 75 Ca 0.27 1.05 -0.25 0.00 -1.81 0.00 0.00 61.98 61.25 2day s VAL 75 Cb -0.07 -3.82 -0.08 0.00 0.56 0.00 0.00 36.38 32.96 2day s VAL 75 CO 0.15 0.44 1.18 -2.16 -0.31 0.00 0.00 175.10 174.41 2day s PRO 76 N -1.42 3.95 -0.33 4.82 0.04 -1.26 -4.78 135.00 136.02 2day s PRO 76 Ca 0.32 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 2day s PRO 76 Cb -0.18 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2day s PRO 76 CO 0.19 -0.41 1.36 -1.14 0.04 0.00 0.00 177.00 177.04 2day s GLN 77 N -2.41 3.78 -0.13 4.56 0.74 -0.13 -4.76 119.66 121.31 2day s GLN 77 Ca 0.59 1.17 -0.20 0.00 0.05 0.00 0.00 55.36 56.96 2day s GLN 77 Cb -0.31 -3.94 -0.04 0.00 1.10 0.00 0.00 33.01 29.82 2day s GLN 77 CO 0.38 -1.29 0.58 0.42 -0.55 0.00 0.00 175.29 174.84 2day s ILE 78 N 4.81 5.10 0.27 -2.34 1.09 -1.26 -1.80 121.20 127.07 2day s ILE 78 Ca 0.59 1.16 0.02 0.00 -1.10 0.00 0.00 60.65 61.32 2day s ILE 78 Cb -0.16 -3.92 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 2day s ILE 78 CO 0.27 0.24 0.25 -0.55 -0.10 0.00 0.00 174.94 175.05 2day s SER 79 N 0.85 0.89 -0.02 3.58 0.15 -0.95 -4.98 113.70 113.22 2day s SER 79 Ca 0.30 -1.54 0.01 0.00 0.70 0.00 0.00 55.95 55.43 2day s SER 79 Cb -0.16 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.66 2day s SER 79 CO 0.13 -1.00 -0.05 -0.63 1.20 0.00 0.00 173.24 172.89 2day s ILE 80 N -3.72 0.44 0.15 6.45 1.01 -1.26 -1.83 121.20 122.44 2day s ILE 80 Ca 0.38 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 60.96 2day s ILE 80 Cb 0.04 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 2day s ILE 80 CO 0.20 0.16 -0.22 -0.13 0.00 0.00 0.00 174.94 174.94 2day s ARG 81 N 0.29 1.61 -1.43 2.79 0.52 -0.68 -4.74 118.95 117.32 2day s ARG 81 Ca -0.03 -1.35 -0.12 0.00 -0.52 0.00 0.00 55.73 53.70 2day s ARG 81 Cb -0.07 -1.97 0.02 0.00 0.52 0.00 0.00 34.95 33.45 2day s ARG 81 CO -0.00 0.44 0.23 -1.71 0.02 0.00 0.00 175.30 174.28 2day n ASN 82 N 0.57 -0.77 -4.57 0.23 5.15 -1.26 -2.93 115.26 111.68 2day n ASN 82 Ca -0.15 -1.28 -0.40 0.00 -0.60 0.00 0.00 54.58 52.15 2day n ASN 82 Cb 0.54 -1.57 -0.03 0.00 -0.53 0.00 0.00 39.78 38.19 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2day s PRO 83 N -7.41 2.91 0.22 1.20 0.04 -1.26 -4.63 135.00 126.07 2day s PRO 83 Ca 0.17 0.87 0.10 0.00 0.04 0.00 0.00 61.00 62.17 2day s PRO 83 Cb -0.10 -4.30 -0.04 0.00 0.04 0.00 0.00 34.50 30.10 2day s PRO 83 CO 0.99 -2.38 -0.08 1.03 0.04 0.00 0.00 177.00 176.59 2day s ARG 84 N 6.46 2.08 0.00 4.56 1.81 -1.16 -4.67 118.95 128.03 2day s ARG 84 Ca 0.70 -1.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 2day s ARG 84 Cb -0.15 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.25 2day s ARG 84 CO 0.25 0.39 0.00 0.41 -0.68 0.00 0.00 175.30 175.68 2day n GLY 85 N -0.38 1.12 3.94 -3.53 0.00 -1.26 -3.06 105.19 102.02 2day n GLY 85 Ca -0.08 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 3.38 0.49 0.99 1.43 -1.26 -4.95 118.68 118.76 2day s LEU 86 Ca 0.00 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 2day s LEU 86 Cb 0.00 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.93 2day s LEU 86 CO 0.00 -0.96 0.29 -0.44 0.23 0.00 0.00 176.35 175.47 2day s SER 87 N -4.29 4.55 0.11 2.29 0.01 -1.26 -4.92 113.70 110.19 2day s SER 87 Ca 0.52 -1.20 -0.31 0.00 1.31 0.00 0.00 55.95 56.27 2day s SER 87 Cb -0.10 0.08 -0.10 0.00 0.21 0.00 0.00 66.02 66.11 2day s SER 87 CO 0.41 -0.87 1.59 0.44 0.41 0.00 0.00 173.24 175.22 2day h ASP 88 N 1.04 -1.26 -0.80 2.44 3.32 -1.99 0.21 116.42 119.39 2day h ASP 88 Ca -0.40 0.14 0.17 0.00 0.02 0.00 0.00 57.03 56.96 2day h ASP 88 Cb 1.29 0.48 -0.11 0.00 0.22 0.00 0.00 39.33 41.21 2day h ASP 88 CO 0.63 -0.49 0.30 -0.08 -1.72 0.00 0.00 179.24 177.89 2day h GLU 89 N -0.64 0.39 0.78 3.56 4.81 -1.99 -0.43 114.58 121.06 2day h GLU 89 Ca 0.03 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2day h GLU 89 Cb 0.68 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.98 2day h GLU 89 CO -0.26 0.26 -0.37 1.96 -0.73 0.00 0.00 179.01 179.86 2day h GLN 90 N 0.41 -1.01 -0.53 1.92 4.20 -1.73 -2.50 115.11 115.86 2day h GLN 90 Ca 0.46 0.07 0.08 0.00 0.06 0.00 0.00 58.65 59.31 2day h GLN 90 Cb 0.76 0.23 -0.10 0.00 0.30 0.00 0.00 27.48 28.67 2day h GLN 90 CO -0.46 -0.67 -0.45 0.82 -0.67 0.00 0.00 178.83 177.40 2day h ILE 91 N -1.25 0.08 -0.86 2.54 2.04 -0.17 0.16 117.51 120.05 2day h ILE 91 Ca -0.11 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.95 2day h ILE 91 Cb 0.80 0.08 -0.12 0.00 -0.74 0.00 0.00 36.82 36.85 2day h ILE 91 CO 0.18 0.00 0.37 -0.74 0.00 0.00 0.00 178.15 177.96 2day h HIS 92 N -0.26 0.63 0.16 1.37 2.76 -1.14 -1.05 115.15 117.62 2day h HIS 92 Ca 0.16 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2day h HIS 92 Cb 0.57 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2day h HIS 92 CO -0.70 0.00 -0.08 1.15 -1.30 0.00 0.00 177.93 177.01 2day h THR 93 N 0.43 0.89 -0.86 6.26 2.02 -0.28 -1.46 112.91 119.91 2day h THR 93 Ca 0.52 -0.22 0.18 0.00 0.77 0.00 0.00 66.41 67.66 2day h THR 93 Cb 0.92 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 68.30 2day h THR 93 CO -0.49 0.05 0.57 0.40 0.37 0.00 0.00 175.52 176.43 2day h ILE 94 N -0.32 0.72 0.16 3.11 2.04 0.12 -0.34 117.51 123.01 2day h ILE 94 Ca -0.02 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2day h ILE 94 Cb 0.25 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2day h ILE 94 CO 0.04 0.08 -0.08 -0.07 0.00 0.00 0.00 178.15 178.12 2day h LEU 95 N 0.44 -0.18 -0.86 1.44 3.38 -0.95 -2.93 115.31 115.64 2day h LEU 95 Ca 0.44 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.64 2day h LEU 95 Cb 1.04 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 2day h LEU 95 CO -0.17 -0.02 0.08 0.06 0.09 0.00 0.00 178.44 178.48 2day h GLN 96 N -0.42 0.10 0.00 1.13 3.07 -1.07 0.25 115.11 118.17 2day h GLN 96 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2day h GLN 96 Cb 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.70 2day h GLN 96 CO 0.04 0.07 0.00 0.28 0.09 0.00 0.00 178.83 179.30 2day n VAL 97 N -5.35 0.00 -0.32 1.86 0.31 -0.15 -2.36 118.33 112.31 2day n VAL 97 Ca 0.19 1.38 0.18 0.00 -0.01 0.00 0.00 64.34 66.08 2day n VAL 97 Cb 0.62 -2.20 0.42 0.00 -0.91 0.00 0.00 33.84 31.77 2day n VAL 97 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2day h LEU 98 N 0.00 0.60 -0.72 7.52 3.38 -1.25 -1.54 115.31 123.30 2day h LEU 98 Ca 0.00 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.19 2day h LEU 98 Cb 0.00 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.60 2day h LEU 98 CO 0.00 0.18 -0.24 1.23 0.09 0.00 0.00 178.44 179.69 2day h GLY 99 N 0.56 0.32 0.43 0.83 0.00 -0.13 -1.61 103.07 103.48 2day h GLY 99 Ca 0.57 0.32 -0.00 0.00 0.00 0.00 0.00 47.33 48.22 2day h GLY 99 CO -0.33 -0.26 -0.05 0.84 0.00 0.00 0.00 176.54 176.75 2day h HIS 100 N -0.05 -0.12 -0.88 5.60 -0.00 -1.04 -3.23 115.15 115.43 2day h HIS 100 Ca 0.32 -0.00 0.34 0.00 -0.00 0.00 0.00 60.37 61.03 2day h HIS 100 Cb 0.55 0.04 -0.16 0.00 -0.00 0.00 0.00 27.41 27.84 2day h HIS 100 CO -0.63 0.37 0.35 0.28 -0.00 0.00 0.00 177.93 178.30 2day n VAL 101 N -4.90 -0.37 -0.05 5.26 0.31 -0.83 0.17 118.33 117.92 2day n VAL 101 Ca -0.08 1.83 -0.11 0.00 -0.01 0.00 0.00 64.34 65.97 2day n VAL 101 Cb 0.27 -2.90 -0.05 0.00 -0.91 0.00 0.00 33.84 30.26 2day n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2day h ALA 102 N 1.77 -0.49 -0.50 3.52 0.00 -1.33 0.17 119.26 122.40 2day h ALA 102 Ca 0.69 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.77 2day h ALA 102 Cb 1.75 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 20.32 2day h ALA 102 CO -0.72 -0.88 0.36 0.87 0.00 0.00 0.00 179.25 178.87 2day h LYS 103 N -0.41 0.01 0.00 0.00 1.57 -0.43 0.30 116.57 117.61 2day h LYS 103 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2day h LYS 103 Cb 0.60 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2day h LYS 103 CO -0.47 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 178.42 2day h ALA 104 N 1.75 1.00 -0.47 3.86 0.00 -0.47 -2.72 119.26 122.21 2day h ALA 104 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.81 2day h ALA 104 Cb 0.93 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.36 2day h ALA 104 CO -0.01 0.00 -0.89 0.41 0.00 0.00 0.00 179.25 178.77 2day n GLY 105 N -0.69 4.27 3.85 0.00 0.00 0.10 -5.08 105.19 107.64 2day n GLY 105 Ca -0.01 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.25 3.18 0.00 0.99 1.43 -1.03 -3.77 118.68 116.22 2day s LEU 106 Ca 0.40 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2day s LEU 106 Cb 0.37 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 42.14 2day s LEU 106 CO -0.02 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.08 2day n GLY 107 N -2.51 2.65 3.35 -3.19 0.00 -1.25 -4.92 105.19 99.32 2day n GLY 107 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 2day n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2day s THR 108 N -0.67 0.25 0.09 2.61 -4.23 -1.25 -4.86 115.64 107.59 2day s THR 108 Ca 0.00 -2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 58.15 2day s THR 108 Cb 0.00 -2.47 -0.18 0.00 1.34 0.00 0.00 72.50 71.20 2day s THR 108 CO 0.00 0.00 1.14 0.00 -0.54 0.00 0.00 174.62 175.22 2day n ALA 109 N -0.65 -1.95 0.00 3.99 0.00 -1.26 -4.85 120.51 115.78 2day n ALA 109 Ca 0.02 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2day n ALA 109 Cb 0.64 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 1.86 0.32 -0.24 0.00 3.85 -1.26 -4.82 117.12 116.84 2day n MET 110 Ca 0.18 0.00 0.18 0.00 -1.00 0.00 0.00 57.70 57.06 2day n MET 110 Cb 0.17 -0.68 0.33 0.00 -1.05 0.00 0.00 33.22 32.00 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 -1.68 0.11 0.28 3.17 4.77 -1.26 -0.06 117.00 122.34 2day n LEU 111 Ca 0.00 1.20 -0.11 0.00 -0.03 0.00 0.00 56.01 57.07 2day n LEU 111 Cb 0.18 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 2day n LEU 111 CO 0.00 -1.29 0.52 0.22 -1.33 0.00 0.00 177.39 175.51 2day h TYR 112 N 0.00 -0.69 -0.15 -1.77 5.03 -1.99 -2.88 116.97 114.52 2day h TYR 112 Ca 0.54 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.87 2day h TYR 112 Cb 1.31 0.23 -0.07 0.00 1.55 0.00 0.00 36.73 39.76 2day h TYR 112 CO -0.15 -0.42 -0.50 1.49 -1.32 0.00 0.00 178.16 177.26 2day h GLU 113 N -0.73 -0.52 -0.81 1.82 4.22 -0.80 -0.89 114.58 116.88 2day h GLU 113 Ca -0.07 0.04 0.23 0.00 0.08 0.00 0.00 59.36 59.64 2day h GLU 113 Cb 0.56 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 29.78 2day h GLU 113 CO 0.12 -0.35 0.06 1.28 -2.18 0.00 0.00 179.01 177.93 2day n LEU 114 N -5.44 -0.06 0.22 1.64 4.77 -0.42 -0.74 117.00 116.97 2day n LEU 114 Ca -0.05 1.37 -0.09 0.00 -0.03 0.00 0.00 56.01 57.20 2day n LEU 114 Cb 0.37 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2day n LEU 114 CO 0.09 -1.40 0.31 0.40 -1.33 0.00 0.00 177.39 175.47 2day h ILE 115 N 0.00 0.00 -0.97 -0.08 2.04 -0.97 -3.09 117.51 114.44 2day h ILE 115 Ca 0.51 -0.30 0.39 0.00 1.00 0.00 0.00 64.86 66.46 2day h ILE 115 Cb 1.08 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.01 2day h ILE 115 CO -0.74 0.00 0.55 -0.62 0.00 0.00 0.00 178.15 177.34 2day n GLU 116 N -4.41 -0.05 0.50 2.37 4.71 0.08 -0.01 120.64 123.82 2day n GLU 116 Ca -0.07 1.22 -0.19 0.00 -0.01 0.00 0.00 57.16 58.10 2day n GLU 116 Cb 0.23 -2.23 -0.09 0.00 -1.01 0.00 0.00 31.44 28.34 2day n GLU 116 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2day h LYS 117 N 0.00 -1.22 -0.61 3.49 3.11 -1.13 -3.23 116.57 116.99 2day h LYS 117 Ca 0.77 0.08 0.05 0.00 -2.81 0.00 0.00 60.65 58.75 2day h LYS 117 Cb 2.14 0.28 -0.07 0.00 -1.00 0.00 0.00 32.23 33.57 2day h LYS 117 CO -0.63 -0.81 -0.36 0.41 -2.81 0.00 0.00 179.45 175.25 2day n GLY 118 N -1.54 -1.88 0.26 5.01 0.00 0.98 0.11 105.19 108.13 2day n GLY 118 Ca -0.16 0.78 0.15 0.00 0.00 0.00 0.00 46.02 46.79 2day n GLY 118 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2day n LYS 119 N -4.58 -0.06 -0.03 1.61 5.02 -1.19 0.15 118.16 119.08 2day n LYS 119 Ca 0.01 1.13 -0.16 0.00 -2.02 0.00 0.00 58.31 57.27 2day n LYS 119 Cb 0.16 -1.84 -0.09 0.00 -0.02 0.00 0.00 35.03 33.23 2day n LYS 119 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2day h GLU 120 N 0.00 0.41 -0.73 1.97 4.39 0.63 -3.25 114.58 118.00 2day h GLU 120 Ca 0.51 -0.34 0.13 0.00 0.34 0.00 0.00 59.36 60.00 2day h GLU 120 Cb 1.14 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.73 2day h GLU 120 CO -0.69 0.98 -0.32 0.82 -1.16 0.00 0.00 179.01 178.64 2day h ILE 121 N -0.05 0.14 -0.28 3.13 2.04 0.23 0.33 117.51 123.04 2day h ILE 121 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 2day h ILE 121 Cb 1.06 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2day h ILE 121 CO 0.08 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 178.07 2day h LEU 122 N -0.09 -0.35 -0.92 1.44 3.38 -1.44 -2.39 115.31 114.94 2day h LEU 122 Ca 0.29 0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.51 2day h LEU 122 Cb 0.57 0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.37 2day h LEU 122 CO -0.78 -0.13 -0.35 -1.28 0.09 0.00 0.00 178.44 175.99 2day h SER 123 N -0.04 -1.27 0.00 -0.43 0.87 -0.97 -3.45 113.55 108.26 2day h SER 123 Ca 0.14 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 2day h SER 123 Cb 0.26 0.69 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2day h SER 123 CO -0.32 -0.30 0.00 0.61 -0.53 0.00 0.00 176.83 176.30 2day n GLY 124 N -1.49 2.22 0.00 5.77 0.00 -0.90 -4.99 105.19 105.79 2day n GLY 124 Ca 0.10 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2day n GLY 124 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2day n PRO 125 N -0.42 0.32 -3.81 1.61 -0.04 -1.26 -4.64 135.00 126.76 2day n PRO 125 Ca 0.00 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 2day n PRO 125 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 2day n PRO 125 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2day s SER 126 N -2.35 -0.05 0.12 3.54 0.01 -1.26 -5.13 113.70 108.58 2day s SER 126 Ca 0.18 0.16 -0.31 0.00 1.31 0.00 0.00 55.95 57.29 2day s SER 126 Cb 0.10 0.11 -0.08 0.00 0.21 0.00 0.00 66.02 66.37 2day s SER 126 CO 0.21 -0.07 1.34 -0.94 0.41 0.00 0.00 173.24 174.18 2day s SER 127 N 0.50 6.89 0.00 2.44 1.04 -1.26 -5.14 113.70 118.17 2day s SER 127 Ca -0.04 2.28 0.00 0.00 0.48 0.00 0.00 55.95 58.67 2day s SER 127 Cb -0.05 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2day s SER 127 CO -0.02 -0.59 0.14 0.61 0.98 0.00 0.00 173.24 174.36