#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 5.13 -0.13 1.61 0.15 -1.26 -5.09 113.70 114.11 2day s SER 2 Ca 0.00 -2.02 -0.08 0.00 0.70 0.00 0.00 55.95 54.56 2day s SER 2 Cb 0.00 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 2day s SER 2 CO 0.00 -0.49 0.15 -0.55 1.20 0.00 0.00 173.24 173.54 2day s SER 3 N 1.59 6.38 -0.43 5.45 0.15 -1.26 -5.01 113.70 120.57 2day s SER 3 Ca 0.08 0.46 0.06 0.00 0.70 0.00 0.00 55.95 57.24 2day s SER 3 Cb -0.22 -2.08 0.32 0.00 -1.71 0.00 0.00 66.02 62.34 2day s SER 3 CO -0.05 0.38 1.19 0.61 1.20 0.00 0.00 173.24 176.57 2day n GLY 4 N 2.15 0.20 3.41 9.45 0.00 -1.26 -5.14 105.19 114.00 2day n GLY 4 Ca -0.19 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.04 3.67 -0.25 1.61 0.15 -1.26 -5.11 113.70 111.47 2day s SER 5 Ca 0.21 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 2day s SER 5 Cb 0.29 -0.68 0.02 0.00 -1.71 0.00 0.00 66.02 63.95 2day s SER 5 CO -0.08 0.33 -0.05 -0.44 1.20 0.00 0.00 173.24 174.21 2day s SER 6 N -0.67 4.37 0.00 5.45 0.01 -1.26 -4.96 113.70 116.64 2day s SER 6 Ca 0.11 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2day s SER 6 Cb -0.10 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2day s SER 6 CO 0.00 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2day n GLY 7 N 4.71 1.65 3.55 3.44 0.00 -1.26 -5.00 105.19 112.27 2day n GLY 7 Ca -0.17 -0.02 -0.38 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 0.00 2.57 0.33 1.61 -1.05 -1.26 -4.91 118.70 115.99 2day s GLU 8 Ca 0.00 0.65 0.07 0.00 -0.15 0.00 0.00 54.97 55.53 2day s GLU 8 Cb 0.00 -4.43 -0.03 0.00 -0.44 0.00 0.00 34.13 29.23 2day s GLU 8 CO 0.00 -2.81 0.26 -1.21 0.95 0.00 0.00 175.26 172.45 2day s GLU 9 N 7.16 1.75 -0.13 -4.83 0.41 -1.26 -5.16 118.70 116.64 2day s GLU 9 Ca 0.70 -2.01 0.01 0.00 -0.41 0.00 0.00 54.97 53.26 2day s GLU 9 Cb -0.13 0.27 -0.01 0.00 -1.78 0.00 0.00 34.13 32.49 2day s GLU 9 CO 0.20 -0.63 -0.17 0.16 -0.49 0.00 0.00 175.26 174.33 2day s ASP 10 N -3.38 3.65 -0.26 -0.19 -4.77 -1.26 -5.09 116.67 105.37 2day s ASP 10 Ca 0.40 -0.44 -0.04 0.00 -3.30 0.00 0.00 52.55 49.17 2day s ASP 10 Cb 0.03 -1.54 0.15 0.00 -1.09 0.00 0.00 42.92 40.46 2day s ASP 10 CO 0.26 0.14 0.50 0.86 0.70 0.00 0.00 175.17 177.63 2day s TRP 11 N 0.50 -1.17 0.28 2.11 -0.11 -1.26 -5.03 118.94 114.27 2day s TRP 11 Ca -0.11 1.47 0.06 0.00 1.22 0.00 0.00 56.10 58.74 2day s TRP 11 Cb -0.16 0.37 0.40 0.00 -1.50 0.00 0.00 33.47 32.58 2day s TRP 11 CO 0.05 -0.73 1.66 -0.24 -4.62 0.00 0.00 176.95 173.07 2day h VAL 12 N 6.09 1.33 -0.67 5.86 3.04 -1.96 -3.18 116.25 126.76 2day h VAL 12 Ca -0.20 -1.64 0.07 0.00 -1.01 0.00 0.00 66.70 63.92 2day h VAL 12 Cb 1.14 1.76 -0.10 0.00 -2.01 0.00 0.00 31.29 32.08 2day h VAL 12 CO 0.22 0.49 -0.55 0.25 -1.01 0.00 0.00 177.57 176.96 2day h LEU 13 N 0.20 -1.94 -1.08 3.16 5.85 -1.96 0.54 115.31 120.09 2day h LEU 13 Ca 0.01 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2day h LEU 13 Cb 0.89 0.83 0.00 0.00 0.37 0.00 0.00 40.66 42.75 2day h LEU 13 CO 0.07 -0.31 0.00 1.55 -0.34 0.00 0.00 178.44 179.41 2day h PRO 14 N -0.20 0.00 0.19 5.25 0.13 -2.00 -2.44 132.00 132.94 2day h PRO 14 Ca 0.11 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.93 2day h PRO 14 Cb 0.49 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.65 2day h PRO 14 CO -0.74 0.00 -1.34 1.03 -0.23 0.00 0.00 178.00 176.73 2day h SER 15 N 0.00 0.85 -0.03 1.44 0.87 -0.12 -3.31 113.55 113.25 2day h SER 15 Ca 0.00 -0.87 -0.12 0.00 -1.23 0.00 0.00 61.79 59.57 2day h SER 15 Cb 0.41 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2day h SER 15 CO 0.00 1.65 -0.43 -0.08 -0.53 0.00 0.00 176.83 177.44 2day h GLU 16 N 0.18 0.35 -0.87 2.24 4.57 -0.21 -3.33 114.58 117.51 2day h GLU 16 Ca -0.22 -0.33 0.12 0.00 -1.18 0.00 0.00 59.36 57.74 2day h GLU 16 Cb 2.03 0.08 -0.13 0.00 -0.16 0.00 0.00 28.75 30.57 2day h GLU 16 CO 0.25 1.00 -0.45 0.28 -1.18 0.00 0.00 179.01 178.92 2day h VAL 17 N -0.18 0.03 -0.99 0.32 2.07 -1.57 0.67 116.25 116.60 2day h VAL 17 Ca -0.04 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.80 2day h VAL 17 Cb 1.13 0.03 -0.15 0.00 -1.52 0.00 0.00 31.29 30.78 2day h VAL 17 CO 0.09 0.00 0.55 -0.33 0.02 0.00 0.00 177.57 177.89 2day h GLU 18 N -0.07 0.29 0.09 1.57 5.08 -1.67 0.38 114.58 120.26 2day h GLU 18 Ca 0.25 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.31 2day h GLU 18 Cb 0.54 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.75 2day h GLU 18 CO -0.88 0.19 -1.16 0.28 -1.00 0.00 0.00 179.01 176.44 2day h VAL 19 N 0.30 1.30 0.28 3.13 2.07 0.06 -3.27 116.25 120.12 2day h VAL 19 Ca 0.73 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 2day h VAL 19 Cb 1.66 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 34.07 2day h VAL 19 CO -0.62 0.73 -0.15 -0.07 0.02 0.00 0.00 177.57 177.48 2day h LEU 20 N 0.26 -0.37 -0.95 2.57 3.38 0.24 -2.59 115.31 117.86 2day h LEU 20 Ca -0.17 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.06 2day h LEU 20 Cb 1.83 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 42.56 2day h LEU 20 CO 0.22 -0.25 0.49 -0.33 0.09 0.00 0.00 178.44 178.67 2day h GLU 21 N -0.40 0.44 -0.86 1.13 5.08 -0.76 0.47 114.58 119.68 2day h GLU 21 Ca -0.03 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.46 2day h GLU 21 Cb 0.32 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 2day h GLU 21 CO 0.05 0.29 0.44 0.77 -1.00 0.00 0.00 179.01 179.56 2day h SER 22 N 0.46 0.53 0.00 1.42 0.02 -1.51 0.66 113.55 115.12 2day h SER 22 Ca 0.62 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.63 2day h SER 22 Cb 1.21 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 2day h SER 22 CO -0.52 0.20 -0.51 0.40 -1.14 0.00 0.00 176.83 175.27 2day h ILE 23 N 0.61 0.19 -0.50 3.27 2.04 -0.57 -3.38 117.51 119.17 2day h ILE 23 Ca 0.48 -1.21 -0.31 0.00 1.00 0.00 0.00 64.86 64.82 2day h ILE 23 Cb 0.70 0.42 -0.13 0.00 -0.74 0.00 0.00 36.82 37.08 2day h ILE 23 CO -0.38 0.06 0.32 -1.22 0.00 0.00 0.00 178.15 176.94 2day n TYR 24 N -4.62 1.30 -0.39 1.37 4.01 0.13 -4.70 117.16 114.26 2day n TYR 24 Ca -0.09 -1.83 -0.10 0.00 -0.16 0.00 0.00 57.90 55.71 2day n TYR 24 Cb 0.28 -1.02 -0.09 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 0.68 -0.97 -0.12 7.72 4.77 0.23 -1.47 117.00 127.84 2day n LEU 25 Ca 0.31 1.68 -0.26 0.00 -0.03 0.00 0.00 56.01 57.71 2day n LEU 25 Cb 0.58 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 2day n LEU 25 CO 0.32 -1.35 -1.23 -0.67 -1.33 0.00 0.00 177.39 173.12 2day n ASP 26 N -5.10 1.96 -0.33 -1.43 2.03 -1.26 -4.49 116.55 107.92 2day n ASP 26 Ca 0.02 0.25 0.02 0.00 0.52 0.00 0.00 54.79 55.60 2day n ASP 26 Cb 0.24 -0.77 0.08 0.00 -0.72 0.00 0.00 41.12 39.95 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 -4.04 -0.15 -4.25 -0.67 -0.58 -1.21 -4.36 120.64 105.38 2day n GLU 27 Ca -0.48 1.36 -0.30 0.00 -0.42 0.00 0.00 57.16 57.32 2day n GLU 27 Cb 0.88 -2.02 -0.10 0.00 -0.57 0.00 0.00 31.44 29.63 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 -10.71 2.95 0.22 -4.62 0.20 -0.54 -3.54 118.68 102.64 2day s LEU 28 Ca -0.13 -0.44 0.11 0.00 0.69 0.00 0.00 54.13 54.36 2day s LEU 28 Cb 0.21 -1.75 -0.05 0.00 -0.43 0.00 0.00 46.19 44.17 2day s LEU 28 CO 0.65 0.17 -0.21 -1.10 -0.29 0.00 0.00 176.35 175.58 2day s GLN 29 N -2.22 1.53 -0.03 1.98 -1.52 0.01 -4.56 119.66 114.85 2day s GLN 29 Ca 0.21 -1.60 0.01 0.00 -1.95 0.00 0.00 55.36 52.02 2day s GLN 29 Cb -0.11 -1.69 0.02 0.00 -0.22 0.00 0.00 33.01 31.01 2day s GLN 29 CO 0.13 0.34 -0.02 0.08 -0.25 0.00 0.00 175.29 175.57 2day s VAL 30 N -2.12 0.33 -0.46 1.09 1.01 -1.26 -1.96 120.40 117.03 2day s VAL 30 Ca 0.23 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 2day s VAL 30 Cb -0.06 -0.37 0.10 0.00 0.00 0.00 0.00 36.38 36.05 2day s VAL 30 CO 0.11 0.16 0.34 -0.63 0.00 0.00 0.00 175.10 175.08 2day s ILE 31 N 0.76 4.40 -0.21 2.22 -1.09 0.79 -5.01 121.20 123.06 2day s ILE 31 Ca -0.09 -1.56 -0.37 0.00 -2.23 0.00 0.00 60.65 56.40 2day s ILE 31 Cb -0.12 -3.80 -0.17 0.00 -1.58 0.00 0.00 42.46 36.80 2day s ILE 31 CO -0.01 -0.67 1.13 0.29 -1.23 0.00 0.00 174.94 174.45 2day n LYS 32 N 4.97 0.00 -2.86 2.79 4.76 -1.26 -3.80 118.16 122.76 2day n LYS 32 Ca -0.10 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.91 2day n LYS 32 Cb 0.42 -1.27 -0.04 0.00 -1.84 0.00 0.00 35.03 32.29 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 1.26 1.46 -0.79 0.72 0.00 -1.26 -4.95 107.32 103.75 2day s GLY 33 Ca 0.83 -1.14 -0.20 0.00 0.00 0.00 0.00 44.72 44.21 2day s GLY 33 CO 0.59 2.00 1.01 0.21 0.00 0.00 0.00 173.10 176.91 2day s ASN 34 N 2.63 6.42 0.00 1.64 3.84 -1.26 -4.86 114.94 123.36 2day s ASN 34 Ca 0.31 -1.63 0.00 0.00 0.21 0.00 0.00 52.86 51.75 2day s ASN 34 Cb -0.12 -2.39 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 2day s ASN 34 CO 0.21 -1.19 0.00 0.61 -2.79 0.00 0.00 177.10 173.94 2day n GLY 35 N 5.38 3.23 0.54 1.21 0.00 -1.26 -4.75 105.19 109.54 2day n GLY 35 Ca 0.10 -0.12 0.36 0.00 0.00 0.00 0.00 46.02 46.36 2day n GLY 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2day h ARG 36 N 0.00 0.00 -0.22 1.61 -0.00 -1.94 0.13 114.38 113.95 2day h ARG 36 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.78 2day h ARG 36 Cb 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 29.97 29.72 2day h ARG 36 CO 0.00 0.00 -0.80 -2.37 -0.00 0.00 0.00 179.97 176.80 2day n THR 37 N -4.13 1.55 -3.70 0.08 5.66 -1.26 -5.05 114.28 107.42 2day n THR 37 Ca 0.26 -2.80 -0.36 0.00 -3.05 0.00 0.00 64.05 58.10 2day n THR 37 Cb 1.28 0.13 -0.07 0.00 -1.55 0.00 0.00 70.33 70.12 2day n THR 37 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2day s SER 38 N -3.07 6.30 0.16 1.09 0.15 0.45 -4.75 113.70 114.04 2day s SER 38 Ca 0.38 0.34 -0.30 0.00 0.70 0.00 0.00 55.95 57.07 2day s SER 38 Cb 0.38 -2.11 -0.08 0.00 -1.71 0.00 0.00 66.02 62.49 2day s SER 38 CO -0.07 0.19 1.33 -2.16 1.20 0.00 0.00 173.24 173.73 2day s PRO 39 N 0.18 4.37 1.06 5.44 0.04 -1.26 -4.67 135.00 140.16 2day s PRO 39 Ca 0.11 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.02 2day s PRO 39 Cb -0.12 -3.22 0.23 0.00 0.04 0.00 0.00 34.50 31.43 2day s PRO 39 CO 0.01 -0.31 1.23 -1.58 0.04 0.00 0.00 177.00 176.39 2day s TRP 40 N 0.48 1.18 -0.08 0.56 0.52 0.36 -4.87 118.94 117.10 2day s TRP 40 Ca 0.59 0.40 -0.04 0.00 0.02 0.00 0.00 56.10 57.07 2day s TRP 40 Cb -0.36 -3.83 0.04 0.00 -1.15 0.00 0.00 33.47 28.16 2day s TRP 40 CO 0.35 -3.13 0.19 -2.00 0.02 0.00 0.00 176.95 172.38 2day s GLU 41 N -5.68 0.16 -0.03 4.98 2.12 -1.25 -3.38 118.70 115.62 2day s GLU 41 Ca 0.72 0.41 -0.01 0.00 0.36 0.00 0.00 54.97 56.46 2day s GLU 41 Cb -0.06 -0.10 0.03 0.00 0.26 0.00 0.00 34.13 34.26 2day s GLU 41 CO 0.54 -0.14 0.04 0.42 -0.54 0.00 0.00 175.26 175.58 2day s ILE 42 N 0.99 -0.07 0.35 -3.70 1.01 -1.08 -0.15 121.20 118.56 2day s ILE 42 Ca -0.07 0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.93 2day s ILE 42 Cb -0.09 -0.10 -0.05 0.00 0.01 0.00 0.00 42.46 42.23 2day s ILE 42 CO -0.06 0.11 0.12 -0.31 0.00 0.00 0.00 174.94 174.80 2day s TYR 43 N 1.33 2.65 -0.26 3.97 1.51 -0.83 0.07 117.35 125.80 2day s TYR 43 Ca -0.06 -0.43 -0.27 0.00 -1.01 0.00 0.00 57.07 55.30 2day s TYR 43 Cb -0.13 -1.67 0.15 0.00 -0.11 0.00 0.00 41.96 40.20 2day s TYR 43 CO -0.03 0.34 1.17 -1.50 -1.11 0.00 0.00 175.55 174.42 2day s ILE 44 N -2.48 0.00 -0.20 2.71 2.07 -0.86 -0.81 121.20 121.63 2day s ILE 44 Ca 0.38 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.53 2day s ILE 44 Cb -0.01 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.54 2day s ILE 44 CO 0.22 0.00 0.09 -0.89 -1.91 0.00 0.00 174.94 172.45 2day s THR 45 N -0.33 4.99 0.31 4.00 2.01 -1.23 -0.36 115.64 125.02 2day s THR 45 Ca 0.04 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.17 2day s THR 45 Cb -0.03 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 2day s THR 45 CO -0.07 0.43 0.03 -0.76 -0.69 0.00 0.00 174.62 173.56 2day s LEU 46 N 0.57 3.12 -0.21 4.42 1.02 -1.10 -5.01 118.68 121.50 2day s LEU 46 Ca 0.05 -0.79 -0.27 0.00 0.02 0.00 0.00 54.13 53.14 2day s LEU 46 Cb -0.12 -1.59 0.09 0.00 0.02 0.00 0.00 46.19 44.59 2day s LEU 46 CO 0.01 -0.14 0.83 -1.38 0.02 0.00 0.00 176.35 175.69 2day s HIS 47 N -2.41 -0.62 -0.47 0.29 -3.43 -1.26 -3.65 115.29 103.74 2day s HIS 47 Ca 0.34 1.36 -0.28 0.00 -0.80 0.00 0.00 55.06 55.68 2day s HIS 47 Cb -0.04 0.35 -0.02 0.00 -1.43 0.00 0.00 32.58 31.45 2day s HIS 47 CO 0.20 -0.39 1.78 -1.25 -2.00 0.00 0.00 174.74 173.08 2day s PRO 48 N -0.24 3.04 -0.24 -0.38 0.04 -1.26 -4.80 135.00 131.16 2day s PRO 48 Ca -0.02 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 61.99 2day s PRO 48 Cb -0.03 -4.26 0.09 0.00 0.04 0.00 0.00 34.50 30.33 2day s PRO 48 CO 0.01 -2.22 2.32 0.00 0.04 0.00 0.00 177.00 177.15 2day n ALA 49 N 11.23 5.24 -0.06 8.56 0.00 -1.26 -3.96 120.51 140.26 2day n ALA 49 Ca 0.21 -1.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.01 2day n ALA 49 Cb 0.49 -1.53 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 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 0.92 0.63 -0.60 0.00 5.66 -1.26 -5.01 114.28 114.61 2day n THR 50 Ca 0.28 -0.22 -0.28 0.00 -3.05 0.00 0.00 64.05 60.77 2day n THR 50 Cb 0.59 -1.04 0.25 0.00 -1.55 0.00 0.00 70.33 68.58 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 -2.22 -0.46 -0.30 1.79 0.00 -1.25 -5.06 121.76 114.26 2day s ALA 51 Ca -0.15 -0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 2day s ALA 51 Cb 0.04 -3.21 0.15 0.00 0.00 0.00 0.00 23.12 20.10 2day s ALA 51 CO 0.24 -3.85 0.85 -1.83 0.00 0.00 0.00 175.76 171.18 2day s GLU 52 N -4.53 0.41 -1.25 0.00 -1.05 -1.26 -4.98 118.70 106.04 2day s GLU 52 Ca 0.68 1.02 -0.04 0.00 -0.15 0.00 0.00 54.97 56.49 2day s GLU 52 Cb -0.24 0.61 -0.01 0.00 -0.44 0.00 0.00 34.13 34.05 2day s GLU 52 CO 0.64 -0.14 0.76 -3.47 0.95 0.00 0.00 175.26 174.00 2day n ASP 53 N 5.14 -2.40 -4.78 0.83 2.03 -1.26 -4.95 116.55 111.15 2day n ASP 53 Ca -0.10 -0.82 -0.39 0.00 0.52 0.00 0.00 54.79 54.00 2day n ASP 53 Cb 0.51 -4.18 -0.06 0.00 -0.72 0.00 0.00 41.12 36.68 2day n ASP 53 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2day s GLN 54 N -5.75 4.25 -0.40 -0.67 -1.52 -1.26 -5.05 119.66 109.27 2day s GLN 54 Ca 0.12 0.71 -0.19 0.00 -1.95 0.00 0.00 55.36 54.05 2day s GLN 54 Cb -0.03 -3.30 0.01 0.00 -0.22 0.00 0.00 33.01 29.47 2day s GLN 54 CO 0.80 0.48 0.53 0.34 -0.25 0.00 0.00 175.29 177.19 2day s ASP 55 N -0.54 6.28 -0.74 5.90 2.15 -1.26 -4.30 116.67 124.16 2day s ASP 55 Ca 0.30 -0.33 -0.01 0.00 0.43 0.00 0.00 52.55 52.93 2day s ASP 55 Cb -0.18 -2.27 -0.02 0.00 -0.30 0.00 0.00 42.92 40.15 2day s ASP 55 CO 0.17 -0.60 0.63 -0.24 -0.17 0.00 0.00 175.17 174.95 2day n SER 56 N 5.86 -3.07 -3.78 -0.34 2.88 -1.26 -5.05 113.62 108.87 2day n SER 56 Ca -0.05 -0.42 -0.14 0.00 -1.33 0.00 0.00 58.87 56.93 2day n SER 56 Cb 0.48 -3.50 -0.15 0.00 -0.75 0.00 0.00 64.21 60.29 2day n SER 56 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2day s GLN 57 N -4.53 0.02 -0.03 -1.46 2.00 -1.26 -5.15 119.66 109.24 2day s GLN 57 Ca 0.10 0.23 -0.30 0.00 -2.00 0.00 0.00 55.36 53.39 2day s GLN 57 Cb -0.01 -0.18 0.07 0.00 0.80 0.00 0.00 33.01 33.69 2day s GLN 57 CO 0.47 -0.14 0.69 1.52 -0.50 0.00 0.00 175.29 177.33 2day s TYR 58 N 0.93 -0.63 -0.30 1.67 -0.85 -1.26 -4.95 117.35 111.96 2day s TYR 58 Ca -0.08 1.01 -0.15 0.00 -0.52 0.00 0.00 57.07 57.34 2day s TYR 58 Cb -0.10 0.43 0.17 0.00 0.38 0.00 0.00 41.96 42.83 2day s TYR 58 CO -0.03 -0.63 1.00 0.54 -1.52 0.00 0.00 175.55 174.91 2day s VAL 59 N -1.49 -0.48 -0.05 -3.49 0.11 -1.26 -4.45 120.40 109.28 2day s VAL 59 Ca -0.09 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.74 2day s VAL 59 Cb -0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2day s VAL 59 CO 0.07 0.00 0.48 0.00 -3.33 0.00 0.00 175.10 172.32 2day s PHE 61 N -1.07 0.48 -0.38 0.00 -0.12 -1.24 -1.86 117.98 113.78 2day s PHE 61 Ca -0.11 -1.00 -0.13 0.00 -0.05 0.00 0.00 56.93 55.64 2day s PHE 61 Cb -0.03 -0.36 0.01 0.00 -0.63 0.00 0.00 43.02 42.01 2day s PHE 61 CO 0.06 -0.37 0.26 0.99 -0.05 0.00 0.00 175.22 176.11 2day s THR 62 N -3.68 5.07 -0.39 -4.49 2.01 -0.95 -2.69 115.64 110.52 2day s THR 62 Ca 0.05 -0.59 -0.26 0.00 0.31 0.00 0.00 61.69 61.19 2day s THR 62 Cb 0.06 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.83 2day s THR 62 CO -0.09 -0.20 0.96 -0.22 -0.69 0.00 0.00 174.62 174.37 2day s LEU 63 N 1.66 3.96 -0.44 4.42 0.20 0.51 -1.85 118.68 127.13 2day s LEU 63 Ca 0.05 0.53 -0.14 0.00 0.69 0.00 0.00 54.13 55.25 2day s LEU 63 Cb -0.19 -3.30 0.06 0.00 -0.43 0.00 0.00 46.19 42.33 2day s LEU 63 CO 0.09 -0.93 0.34 -0.69 -0.29 0.00 0.00 176.35 174.87 2day s VAL 64 N 3.63 5.05 -0.63 1.68 1.01 -0.80 -2.03 120.40 128.30 2day s VAL 64 Ca 0.39 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2day s VAL 64 Cb -0.11 -3.96 0.08 0.00 0.00 0.00 0.00 36.38 32.38 2day s VAL 64 CO 0.21 -0.48 0.89 -0.76 0.00 0.00 0.00 175.10 174.96 2day s LEU 65 N 1.61 4.61 -0.71 3.92 1.43 0.11 -2.74 118.68 126.91 2day s LEU 65 Ca 0.04 -1.04 -0.24 0.00 -1.03 0.00 0.00 54.13 51.86 2day s LEU 65 Cb -0.22 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.63 2day s LEU 65 CO 0.07 -1.33 1.09 -1.58 0.23 0.00 0.00 176.35 174.83 2day s GLN 66 N 3.69 3.18 -0.47 1.70 2.00 -1.02 -2.62 119.66 126.12 2day s GLN 66 Ca 0.20 -0.70 -0.21 0.00 -2.00 0.00 0.00 55.36 52.65 2day s GLN 66 Cb -0.18 -4.29 0.03 0.00 0.80 0.00 0.00 33.01 29.37 2day s GLN 66 CO 0.10 -1.94 0.67 0.08 -0.50 0.00 0.00 175.29 173.70 2day s VAL 67 N 4.57 4.79 1.19 1.34 1.01 -1.22 -1.28 120.40 130.80 2day s VAL 67 Ca 0.28 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 2day s VAL 67 Cb -0.13 -4.27 0.28 0.00 0.00 0.00 0.00 36.38 32.26 2day s VAL 67 CO 0.10 -0.71 1.11 -2.16 0.00 0.00 0.00 175.10 173.44 2day s PRO 68 N 2.90 -1.10 0.04 2.72 0.04 -1.26 -0.48 135.00 137.85 2day s PRO 68 Ca 0.22 -0.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.04 2day s PRO 68 Cb -0.15 -1.61 -0.15 0.00 0.04 0.00 0.00 34.50 32.63 2day s PRO 68 CO 0.17 -3.64 1.32 0.00 0.04 0.00 0.00 177.00 174.89 2day h ALA 69 N -2.53 0.22 -0.80 8.56 0.00 -1.85 -3.21 119.26 119.64 2day h ALA 69 Ca -0.46 -0.36 0.19 0.00 0.00 0.00 0.00 54.91 54.28 2day h ALA 69 Cb 1.30 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 2day h ALA 69 CO 0.36 0.16 0.17 0.93 0.00 0.00 0.00 179.25 180.87 2day h GLU 70 N 0.01 0.21 -2.71 0.00 3.07 -1.94 -3.43 114.58 109.79 2day h GLU 70 Ca 0.02 -0.01 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 2day h GLU 70 Cb 0.77 -0.05 0.05 0.00 -0.84 0.00 0.00 28.75 28.68 2day h GLU 70 CO 0.05 0.14 -0.24 0.98 -1.40 0.00 0.00 179.01 178.54 2day n TYR 71 N -5.22 -0.22 0.24 4.33 4.19 -1.21 -1.84 117.16 117.44 2day n TYR 71 Ca 0.17 0.44 0.12 0.00 3.31 0.00 0.00 57.90 61.94 2day n TYR 71 Cb 0.56 -0.89 0.57 0.00 0.49 0.00 0.00 39.34 40.07 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 0.46 0.00 -0.56 2.98 0.13 -1.89 -3.45 132.00 129.67 2day h PRO 72 Ca -0.13 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.16 2day h PRO 72 Cb 0.65 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.68 2day h PRO 72 CO 0.26 0.15 0.01 0.72 -0.23 0.00 0.00 178.00 178.91 2day n HIS 73 N -3.36 0.36 -4.29 1.56 8.25 -0.76 -4.09 115.22 112.88 2day n HIS 73 Ca -0.00 0.68 -0.32 0.00 -0.26 0.00 0.00 57.72 57.81 2day n HIS 73 Cb 0.36 -0.92 -0.09 0.00 1.12 0.00 0.00 29.99 30.46 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 -5.41 2.66 0.19 -0.41 2.12 -1.25 -4.87 118.70 111.73 2day s GLU 74 Ca -0.07 -0.70 -0.25 0.00 0.36 0.00 0.00 54.97 54.31 2day s GLU 74 Cb 0.16 -2.59 -0.08 0.00 0.26 0.00 0.00 34.13 31.88 2day s GLU 74 CO 0.44 0.60 0.79 0.14 -0.54 0.00 0.00 175.26 176.69 2day s VAL 75 N -1.11 4.36 0.14 3.70 -7.23 -1.26 -3.67 120.40 115.32 2day s VAL 75 Ca 0.20 1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 61.75 2day s VAL 75 Cb -0.11 -4.11 -0.08 0.00 0.56 0.00 0.00 36.38 32.64 2day s VAL 75 CO 0.11 0.46 1.35 -2.16 -0.31 0.00 0.00 175.10 174.55 2day s PRO 76 N -1.32 4.35 -0.25 4.82 0.04 -1.26 -4.79 135.00 136.60 2day s PRO 76 Ca 0.38 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.17 2day s PRO 76 Cb -0.22 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 2day s PRO 76 CO 0.26 -0.36 1.72 -0.65 0.04 0.00 0.00 177.00 178.01 2day s GLN 77 N 0.72 3.62 -0.32 4.56 -1.52 -0.40 -4.75 119.66 121.56 2day s GLN 77 Ca 0.61 1.64 -0.25 0.00 -1.95 0.00 0.00 55.36 55.41 2day s GLN 77 Cb -0.36 -4.11 0.01 0.00 -0.22 0.00 0.00 33.01 28.33 2day s GLN 77 CO 0.33 -1.51 0.88 0.42 -0.25 0.00 0.00 175.29 175.15 2day s ILE 78 N 5.89 4.70 0.25 1.08 1.09 -1.26 -2.43 121.20 130.51 2day s ILE 78 Ca 0.76 1.31 0.06 0.00 -1.10 0.00 0.00 60.65 61.68 2day s ILE 78 Cb -0.25 -4.24 -0.05 0.00 -1.06 0.00 0.00 42.46 36.86 2day s ILE 78 CO 0.32 -0.35 -0.06 -0.44 -0.10 0.00 0.00 174.94 174.31 2day s SER 79 N 1.67 2.44 -0.08 3.58 0.01 -1.11 -4.90 113.70 115.31 2day s SER 79 Ca 0.36 -1.16 0.01 0.00 1.31 0.00 0.00 55.95 56.48 2day s SER 79 Cb -0.13 -0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.01 2day s SER 79 CO 0.14 -0.36 -0.10 -0.63 0.41 0.00 0.00 173.24 172.70 2day s ILE 80 N -3.13 1.06 0.08 1.44 1.01 -1.26 -1.91 121.20 118.48 2day s ILE 80 Ca 0.27 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.60 2day s ILE 80 Cb 0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2day s ILE 80 CO 0.10 0.35 -0.17 -0.13 0.00 0.00 0.00 174.94 175.08 2day s ARG 81 N 0.96 1.93 -1.39 2.79 0.52 -0.77 -4.70 118.95 118.29 2day s ARG 81 Ca -0.09 -1.08 -0.00 0.00 -0.52 0.00 0.00 55.73 54.03 2day s ARG 81 Cb -0.15 -2.16 -0.00 0.00 0.52 0.00 0.00 34.95 33.16 2day s ARG 81 CO 0.00 0.51 0.45 0.09 0.02 0.00 0.00 175.30 176.37 2day n ASN 82 N 1.12 -0.43 -4.55 0.23 4.13 -1.26 -2.23 115.26 112.26 2day n ASN 82 Ca -0.16 -0.98 -0.35 0.00 1.68 0.00 0.00 54.58 54.77 2day n ASN 82 Cb 0.52 -3.18 -0.04 0.00 -1.54 0.00 0.00 39.78 35.55 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2day s PRO 83 N -6.47 2.60 0.19 3.52 0.04 -1.26 -4.44 135.00 129.17 2day s PRO 83 Ca 0.00 0.33 -0.05 0.00 0.04 0.00 0.00 61.00 61.33 2day s PRO 83 Cb -0.00 -4.60 -0.06 0.00 0.04 0.00 0.00 34.50 29.88 2day s PRO 83 CO 0.88 -2.94 0.45 1.03 0.04 0.00 0.00 177.00 176.46 2day s ARG 84 N 7.04 3.65 0.00 4.56 3.00 -0.78 -4.41 118.95 132.02 2day s ARG 84 Ca 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 55.73 56.39 2day s ARG 84 Cb -0.11 -2.77 0.00 0.00 0.00 0.00 0.00 34.95 32.08 2day s ARG 84 CO 0.14 0.38 0.00 0.41 0.00 0.00 0.00 175.30 176.23 2day n GLY 85 N -0.23 1.16 3.78 -3.53 0.00 -1.26 -3.04 105.19 102.07 2day n GLY 85 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2day n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2day s LEU 86 N 0.00 2.76 0.29 0.99 1.43 -1.26 -5.03 118.68 117.85 2day s LEU 86 Ca 0.00 1.56 0.10 0.00 -1.03 0.00 0.00 54.13 54.76 2day s LEU 86 Cb 0.00 -4.21 -0.05 0.00 0.03 0.00 0.00 46.19 41.96 2day s LEU 86 CO 0.00 -2.02 -0.15 -0.55 0.23 0.00 0.00 176.35 173.87 2day s SER 87 N -3.63 3.42 0.30 2.29 0.15 -1.26 -4.92 113.70 110.04 2day s SER 87 Ca 0.61 -1.10 0.09 0.00 0.70 0.00 0.00 55.95 56.25 2day s SER 87 Cb -0.16 -0.28 0.90 0.00 -1.71 0.00 0.00 66.02 64.77 2day s SER 87 CO 0.55 -0.10 1.39 0.47 1.20 0.00 0.00 173.24 176.76 2day n ASP 88 N -0.64 0.07 0.31 5.45 8.00 -1.26 -0.40 116.55 128.08 2day n ASP 88 Ca -0.05 1.49 -0.14 0.00 0.71 0.00 0.00 54.79 56.80 2day n ASP 88 Cb 0.61 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 2day n ASP 88 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2day h GLU 89 N 0.00 -0.83 0.03 -1.24 4.81 -1.99 -0.90 114.58 114.46 2day h GLU 89 Ca 0.63 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.94 2day h GLU 89 Cb 1.48 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 31.01 2day h GLU 89 CO -0.77 -0.55 -0.24 1.96 -0.73 0.00 0.00 179.01 178.68 2day h GLN 90 N -0.86 -0.38 -0.70 1.92 4.20 -1.16 -1.87 115.11 116.26 2day h GLN 90 Ca -0.08 0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.81 2day h GLN 90 Cb 0.69 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.42 2day h GLN 90 CO 0.08 -0.25 -0.11 0.82 -0.67 0.00 0.00 178.83 178.70 2day h ILE 91 N -0.39 0.33 -0.19 2.54 2.04 -0.72 0.95 117.51 122.08 2day h ILE 91 Ca 0.05 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.92 2day h ILE 91 Cb 0.46 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2day h ILE 91 CO -0.19 0.01 0.04 -0.74 0.00 0.00 0.00 178.15 177.26 2day h HIS 92 N 0.03 0.07 0.30 1.37 2.76 -0.65 -2.33 115.15 116.70 2day h HIS 92 Ca 0.35 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.53 2day h HIS 92 Cb 0.57 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.51 2day h HIS 92 CO -0.51 0.03 -0.28 1.15 -1.30 0.00 0.00 177.93 177.02 2day h THR 93 N 0.12 0.42 -1.04 6.26 2.02 -0.22 -1.67 112.91 118.79 2day h THR 93 Ca 0.08 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.55 2day h THR 93 Cb 0.07 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 66.84 2day h THR 93 CO -0.11 0.00 0.72 0.40 0.37 0.00 0.00 175.52 176.90 2day h ILE 94 N -0.60 0.51 0.18 3.11 2.04 -0.76 0.86 117.51 122.84 2day h ILE 94 Ca -0.02 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2day h ILE 94 Cb 0.54 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2day h ILE 94 CO -0.04 0.03 -0.09 -0.07 0.00 0.00 0.00 178.15 177.98 2day h LEU 95 N 0.17 -0.20 -0.86 1.44 3.38 -0.77 -2.86 115.31 115.60 2day h LEU 95 Ca 0.53 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.70 2day h LEU 95 Cb 1.77 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 42.46 2day h LEU 95 CO -0.12 -0.05 0.37 0.06 0.09 0.00 0.00 178.44 178.80 2day h GLN 96 N -0.44 0.42 0.00 1.13 3.07 -0.89 0.28 115.11 118.68 2day h GLN 96 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2day h GLN 96 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.65 2day h GLN 96 CO 0.04 0.28 0.00 0.28 0.09 0.00 0.00 178.83 179.52 2day n VAL 97 N -5.02 0.00 -0.33 1.86 0.31 0.25 -2.31 118.33 113.08 2day n VAL 97 Ca 0.20 1.34 0.10 0.00 -0.01 0.00 0.00 64.34 65.98 2day n VAL 97 Cb 0.58 -2.18 0.31 0.00 -0.91 0.00 0.00 33.84 31.64 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 0.81 -0.81 7.52 3.38 -1.27 -1.84 115.31 123.10 2day h LEU 98 Ca 0.00 0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.22 2day h LEU 98 Cb 0.00 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 40.51 2day h LEU 98 CO 0.00 0.38 0.03 1.23 0.09 0.00 0.00 178.44 180.17 2day h GLY 99 N 0.84 0.97 0.72 0.83 0.00 -0.22 -1.58 103.07 104.64 2day h GLY 99 Ca 0.51 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.92 2day h GLY 99 CO -0.28 -0.33 -0.19 0.84 0.00 0.00 0.00 176.54 176.58 2day h HIS 100 N 0.10 -0.49 -0.95 5.60 -0.00 -0.91 -3.05 115.15 115.45 2day h HIS 100 Ca 0.46 -0.01 0.38 0.00 -0.00 0.00 0.00 60.37 61.20 2day h HIS 100 Cb 0.85 0.16 -0.15 0.00 -0.00 0.00 0.00 27.41 28.27 2day h HIS 100 CO -0.42 -0.17 0.53 0.28 -0.00 0.00 0.00 177.93 178.15 2day n VAL 101 N -5.21 -0.34 -0.02 5.26 0.31 -0.63 0.00 118.33 117.69 2day n VAL 101 Ca -0.10 1.76 -0.13 0.00 -0.01 0.00 0.00 64.34 65.85 2day n VAL 101 Cb 0.28 -2.86 -0.08 0.00 -0.91 0.00 0.00 33.84 30.27 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 1.70 -0.72 -0.28 3.52 0.00 -1.33 -0.19 119.26 121.96 2day h ALA 102 Ca 0.76 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.63 2day h ALA 102 Cb 2.09 0.91 -0.01 0.00 0.00 0.00 0.00 17.79 20.77 2day h ALA 102 CO -0.63 -1.00 0.11 0.87 0.00 0.00 0.00 179.25 178.60 2day h LYS 103 N -0.51 0.39 0.00 0.00 1.57 -0.56 -0.92 116.57 116.53 2day h LYS 103 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2day h LYS 103 Cb 0.65 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2day h LYS 103 CO -0.44 0.32 0.00 0.00 -0.57 0.00 0.00 179.45 178.76 2day h ALA 104 N 1.74 1.00 -0.81 3.86 0.00 -0.62 -2.60 119.26 121.83 2day h ALA 104 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.62 2day h ALA 104 Cb 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.46 2day h ALA 104 CO -0.01 0.00 -1.02 0.41 0.00 0.00 0.00 179.25 178.63 2day n GLY 105 N -1.15 3.30 3.87 0.00 0.00 -0.36 -5.08 105.19 105.77 2day n GLY 105 Ca -0.02 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.55 3.57 0.00 0.99 1.43 -0.98 -3.94 118.68 116.20 2day s LEU 106 Ca 0.35 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 2day s LEU 106 Cb 0.39 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2day s LEU 106 CO -0.02 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.55 2day n GLY 107 N -1.90 2.69 3.27 -3.19 0.00 -1.26 -4.96 105.19 99.84 2day n GLY 107 Ca 0.05 -0.04 -0.14 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 -1.44 0.54 0.05 2.61 -4.23 -1.25 -4.86 115.64 107.05 2day s THR 108 Ca 0.00 -1.99 -0.35 0.00 -1.18 0.00 0.00 61.69 58.18 2day s THR 108 Cb 0.00 -2.37 -0.18 0.00 1.34 0.00 0.00 72.50 71.29 2day s THR 108 CO 0.00 -0.23 0.87 0.00 -0.54 0.00 0.00 174.62 174.72 2day n ALA 109 N -0.33 -3.30 0.00 3.99 0.00 -1.26 -4.85 120.51 114.76 2day n ALA 109 Ca -0.03 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2day n ALA 109 Cb 0.65 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.29 0.45 -0.26 0.00 3.85 -1.26 -4.85 117.12 116.34 2day n MET 110 Ca 0.18 0.00 0.04 0.00 -1.00 0.00 0.00 57.70 56.92 2day n MET 110 Cb 0.12 -0.66 0.09 0.00 -1.05 0.00 0.00 33.22 31.72 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 -1.52 -0.29 -0.04 3.17 4.77 -1.26 0.83 117.00 122.66 2day n LEU 111 Ca 0.00 1.24 -0.10 0.00 -0.03 0.00 0.00 56.01 57.12 2day n LEU 111 Cb 0.16 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2day n LEU 111 CO 0.00 -1.18 0.63 0.22 -1.33 0.00 0.00 177.39 175.73 2day h TYR 112 N 0.00 -0.99 0.50 -1.77 3.20 -2.00 -2.00 116.97 113.92 2day h TYR 112 Ca 0.33 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 2day h TYR 112 Cb 0.51 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 2day h TYR 112 CO -0.56 -0.41 -0.45 0.93 -1.64 0.00 0.00 178.16 176.02 2day h GLU 113 N -0.37 -0.91 -0.90 1.82 3.07 0.09 -2.29 114.58 115.08 2day h GLU 113 Ca 0.11 0.06 0.10 0.00 -0.50 0.00 0.00 59.36 59.14 2day h GLU 113 Cb 0.56 0.21 -0.12 0.00 -0.84 0.00 0.00 28.75 28.56 2day h GLU 113 CO -0.43 -0.61 -0.48 1.28 -1.40 0.00 0.00 179.01 177.38 2day n LEU 114 N -5.54 -0.84 -0.00 1.33 4.77 -0.63 -0.27 117.00 115.81 2day n LEU 114 Ca -0.12 1.60 -0.10 0.00 -0.03 0.00 0.00 56.01 57.37 2day n LEU 114 Cb 0.44 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2day n LEU 114 CO 0.29 -1.34 0.69 0.40 -1.33 0.00 0.00 177.39 176.09 2day h ILE 115 N 0.00 0.39 -0.63 -0.08 2.04 -1.20 0.40 117.51 118.42 2day h ILE 115 Ca 0.20 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.16 2day h ILE 115 Cb 0.42 0.39 -0.12 0.00 -0.74 0.00 0.00 36.82 36.77 2day h ILE 115 CO -0.87 0.00 -0.37 -0.33 0.00 0.00 0.00 178.15 176.58 2day h GLU 116 N -0.33 -0.16 0.24 2.37 4.39 -0.05 -1.27 114.58 119.78 2day h GLU 116 Ca 0.10 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2day h GLU 116 Cb 0.48 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2day h GLU 116 CO -0.32 -0.10 -0.12 -0.22 -1.16 0.00 0.00 179.01 177.09 2day h LYS 117 N -0.16 -0.31 -0.97 2.33 1.63 -0.76 -2.71 116.57 115.62 2day h LYS 117 Ca 0.23 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.19 2day h LYS 117 Cb 0.56 0.07 -0.15 0.00 -0.60 0.00 0.00 32.23 32.11 2day h LYS 117 CO -0.72 -0.18 -0.42 0.41 -3.45 0.00 0.00 179.45 175.09 2day n GLY 118 N -1.14 -2.10 0.18 5.01 0.00 0.09 -0.23 105.19 106.99 2day n GLY 118 Ca -0.09 1.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.31 -0.65 1.61 1.57 -1.31 -2.74 116.57 114.75 2day h LYS 119 Ca 0.30 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.23 2day h LYS 119 Cb 0.54 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.83 2day h LYS 119 CO -0.95 -0.20 0.15 0.93 -0.57 0.00 0.00 179.45 178.80 2day h GLU 120 N -0.32 0.26 -0.54 3.15 3.07 -0.54 -2.44 114.58 117.23 2day h GLU 120 Ca -0.01 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.89 2day h GLU 120 Cb 0.28 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.05 2day h GLU 120 CO -0.01 0.17 -0.50 0.82 -1.40 0.00 0.00 179.01 178.09 2day h ILE 121 N 0.27 0.00 -0.84 3.13 2.04 -0.29 0.48 117.51 122.30 2day h ILE 121 Ca 0.35 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.41 2day h ILE 121 Cb 0.55 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.48 2day h ILE 121 CO -0.44 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 177.66 2day h LEU 122 N -0.23 -0.39-10.05 1.44 3.38 -1.40 -3.40 115.31 104.66 2day h LEU 122 Ca 0.09 0.22 -0.55 0.00 0.09 0.00 0.00 57.88 57.74 2day h LEU 122 Cb 0.47 0.39 0.13 0.00 0.09 0.00 0.00 40.66 41.74 2day h LEU 122 CO -0.63 -0.23 0.59 -0.55 0.09 0.00 0.00 178.44 177.71 2day s SER 123 N -5.14 5.25 0.00 -0.43 0.15 0.16 -4.78 113.70 108.90 2day s SER 123 Ca -0.13 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.23 2day s SER 123 Cb 0.25 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2day s SER 123 CO 0.76 -1.58 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2day n GLY 124 N 0.72 4.00 3.55 9.45 0.00 -1.26 -4.97 105.19 116.68 2day n GLY 124 Ca 0.11 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 2day n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2day s PRO 125 N -2.32 2.61 0.29 1.61 0.04 -1.26 -4.98 135.00 130.99 2day s PRO 125 Ca 0.00 0.49 0.04 0.00 0.04 0.00 0.00 61.00 61.57 2day s PRO 125 Cb 0.00 -4.48 -0.02 0.00 0.04 0.00 0.00 34.50 30.04 2day s PRO 125 CO 0.00 -2.82 0.43 -1.12 0.04 0.00 0.00 177.00 173.52 2day s SER 126 N 8.10 6.22 -0.51 6.66 0.01 -1.26 -5.08 113.70 127.85 2day s SER 126 Ca 0.68 0.09 0.04 0.00 1.31 0.00 0.00 55.95 58.06 2day s SER 126 Cb -0.12 -1.75 0.13 0.00 0.21 0.00 0.00 66.02 64.50 2day s SER 126 CO 0.18 -0.21 0.26 -0.55 0.41 0.00 0.00 173.24 173.33 2day s SER 127 N -4.04 4.18 0.00 2.44 0.15 -1.26 -5.21 113.70 109.96 2day s SER 127 Ca 0.38 -2.95 0.00 0.00 0.70 0.00 0.00 55.95 54.08 2day s SER 127 Cb -0.09 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 2day s SER 127 CO 0.31 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.12