#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2day s SER 2 N 0.00 6.74 0.48 1.61 0.01 -1.26 -5.04 113.70 116.24 2day s SER 2 Ca 0.00 0.88 -0.20 0.00 1.31 0.00 0.00 55.95 57.94 2day s SER 2 Cb 0.00 -2.22 -0.11 0.00 0.21 0.00 0.00 66.02 63.90 2day s SER 2 CO 0.00 0.31 0.49 -1.54 0.41 0.00 0.00 173.24 172.91 2day n SER 3 N 1.69 -1.14 -2.62 2.44 3.41 -1.26 -4.96 113.62 111.18 2day n SER 3 Ca -0.14 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 2day n SER 3 Cb 0.53 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2day n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2day n GLY 4 N 1.83 -2.58 3.36 5.00 0.00 -1.26 -5.09 105.19 106.45 2day n GLY 4 Ca 0.11 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.57 2.15 0.30 1.61 0.15 -1.26 -5.17 113.70 109.92 2day s SER 5 Ca 0.00 -1.19 -0.13 0.00 0.70 0.00 0.00 55.95 55.33 2day s SER 5 Cb 0.00 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.27 2day s SER 5 CO 0.00 -0.43 0.60 -0.44 1.20 0.00 0.00 173.24 174.17 2day s SER 6 N -3.34 0.07 0.00 5.45 0.01 -1.26 -5.16 113.70 109.47 2day s SER 6 Ca 0.28 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2day s SER 6 Cb 0.05 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2day s SER 6 CO 0.09 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.01 2day n GLY 7 N -0.47 0.67 2.54 3.44 0.00 -1.26 -5.00 105.19 105.11 2day n GLY 7 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 2day n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2day n GLU 8 N 0.00 2.40 -3.64 1.61 0.00 -1.26 -5.05 120.64 114.70 2day n GLU 8 Ca 0.00 -3.75 -0.07 0.00 0.00 0.00 0.00 57.16 53.33 2day n GLU 8 Cb 0.00 -1.84 -0.07 0.00 0.00 0.00 0.00 31.44 29.53 2day n GLU 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2day s GLU 9 N -3.69 0.37 -0.66 3.44 -1.05 -1.26 -5.05 118.70 110.81 2day s GLU 9 Ca 0.36 0.44 -0.00 0.00 -0.15 0.00 0.00 54.97 55.61 2day s GLU 9 Cb 0.36 0.18 0.42 0.00 -0.44 0.00 0.00 34.13 34.65 2day s GLU 9 CO -0.01 -0.05 1.85 -0.25 0.95 0.00 0.00 175.26 177.75 2day n ASP 10 N 2.00 7.06 -3.63 0.83 8.00 -1.26 -4.88 116.55 124.68 2day n ASP 10 Ca -0.12 -3.79 -0.01 0.00 0.71 0.00 0.00 54.79 51.58 2day n ASP 10 Cb 0.56 -0.88 -0.04 0.00 -0.02 0.00 0.00 41.12 40.74 2day n ASP 10 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2day s TRP 11 N -3.85 -1.29 -0.63 1.24 -0.11 -1.26 -5.02 118.94 108.01 2day s TRP 11 Ca 0.58 2.24 0.25 0.00 1.22 0.00 0.00 56.10 60.39 2day s TRP 11 Cb 0.47 0.77 0.68 0.00 -1.50 0.00 0.00 33.47 33.89 2day s TRP 11 CO -0.15 -0.64 1.73 -0.24 -4.62 0.00 0.00 176.95 173.04 2day h VAL 12 N 5.94 0.00 0.78 5.86 3.04 -1.91 -3.26 116.25 126.71 2day h VAL 12 Ca -0.18 -0.62 -0.03 0.00 -1.01 0.00 0.00 66.70 64.85 2day h VAL 12 Cb 1.10 1.62 -0.00 0.00 -2.01 0.00 0.00 31.29 32.00 2day h VAL 12 CO 0.10 0.00 -0.49 0.25 -1.01 0.00 0.00 177.57 176.42 2day h LEU 13 N 0.00 -1.25 -1.54 3.16 5.85 -1.95 -2.05 115.31 117.53 2day h LEU 13 Ca 0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2day h LEU 13 Cb 0.80 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2day h LEU 13 CO 0.00 -0.75 -0.00 1.55 -0.34 0.00 0.00 178.44 178.89 2day h PRO 14 N -1.20 0.00 0.00 5.25 0.13 -2.01 -2.63 132.00 131.53 2day h PRO 14 Ca -0.11 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 2day h PRO 14 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 2day h PRO 14 CO 0.10 0.00 -0.29 1.03 -0.23 0.00 0.00 178.00 178.62 2day h SER 15 N 0.00 0.00 0.32 1.44 0.87 -1.53 -3.19 113.55 111.47 2day h SER 15 Ca -0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 2day h SER 15 Cb 0.49 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 2day h SER 15 CO 0.00 0.29 -1.88 1.21 -0.53 0.00 0.00 176.83 175.92 2day n GLU 16 N -3.34 0.68 0.31 2.24 4.07 -0.80 -4.28 120.64 119.51 2day n GLU 16 Ca 0.01 0.26 -0.18 0.00 -0.06 0.00 0.00 57.16 57.18 2day n GLU 16 Cb 0.51 -1.74 -0.10 0.00 -0.06 0.00 0.00 31.44 30.06 2day n GLU 16 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2day h VAL 17 N 0.02 0.00 -1.47 6.31 2.07 -1.49 0.24 116.25 121.94 2day h VAL 17 Ca -0.36 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.59 2day h VAL 17 Cb 2.03 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 2day h VAL 17 CO 0.07 0.00 1.08 1.05 0.02 0.00 0.00 177.57 179.79 2day h GLU 18 N -1.03 0.00 0.13 1.57 4.11 -1.76 0.40 114.58 118.00 2day h GLU 18 Ca -0.07 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.11 2day h GLU 18 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2day h GLU 18 CO -0.05 0.00 -1.26 0.28 0.07 0.00 0.00 179.01 178.04 2day h VAL 19 N 0.00 1.16 0.60 -1.06 2.07 -1.43 -3.35 116.25 114.25 2day h VAL 19 Ca 0.70 -2.45 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 2day h VAL 19 Cb 2.85 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 35.47 2day h VAL 19 CO -0.01 0.71 -0.36 -0.07 0.02 0.00 0.00 177.57 177.86 2day h LEU 20 N -0.30 -0.90 -0.98 2.57 3.38 0.31 -2.72 115.31 116.66 2day h LEU 20 Ca -0.26 0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.05 2day h LEU 20 Cb 1.75 0.26 -0.18 0.00 0.09 0.00 0.00 40.66 42.58 2day h LEU 20 CO 0.09 -0.57 0.10 -0.62 0.09 0.00 0.00 178.44 177.53 2day n GLU 21 N -5.50 -0.08 -0.29 1.13 1.02 -0.14 0.11 120.64 116.89 2day n GLU 21 Ca -0.13 1.46 0.12 0.00 -0.02 0.00 0.00 57.16 58.59 2day n GLU 21 Cb 0.39 -2.36 0.28 0.00 -0.02 0.00 0.00 31.44 29.73 2day n GLU 21 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2day h SER 22 N 0.00 0.21 0.00 1.62 0.87 -1.61 1.01 113.55 115.65 2day h SER 22 Ca 0.63 0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 61.30 2day h SER 22 Cb 1.39 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.51 2day h SER 22 CO -0.90 -0.03 -0.53 0.40 -0.53 0.00 0.00 176.83 175.24 2day h ILE 23 N 0.34 0.37 -0.69 2.23 2.04 0.69 -3.37 117.51 119.11 2day h ILE 23 Ca 0.53 -1.39 -0.39 0.00 1.00 0.00 0.00 64.86 64.61 2day h ILE 23 Cb 0.99 0.80 -0.15 0.00 -0.74 0.00 0.00 36.82 37.72 2day h ILE 23 CO -0.55 0.12 0.39 -1.22 0.00 0.00 0.00 178.15 176.90 2day n TYR 24 N -4.61 1.55 -0.35 1.37 4.01 0.65 -4.73 117.16 115.05 2day n TYR 24 Ca -0.12 -1.96 -0.09 0.00 -0.16 0.00 0.00 57.90 55.57 2day n TYR 24 Cb 0.32 -1.14 -0.08 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 0.58 -0.88 -0.13 7.72 4.77 0.35 -1.61 117.00 127.80 2day n LEU 25 Ca 0.38 1.59 -0.28 0.00 -0.03 0.00 0.00 56.01 57.66 2day n LEU 25 Cb 0.58 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 2day n LEU 25 CO 0.36 -1.26 -1.31 0.47 -1.33 0.00 0.00 177.39 174.33 2day n ASP 26 N -4.92 1.95 -0.28 -1.43 8.00 -1.26 -4.49 116.55 114.11 2day n ASP 26 Ca 0.02 0.34 0.05 0.00 0.71 0.00 0.00 54.79 55.91 2day n ASP 26 Cb 0.22 -0.83 0.12 0.00 -0.02 0.00 0.00 41.12 40.60 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2day n GLU 27 N -4.25 -0.07 -5.02 -1.24 1.02 -1.23 -4.22 120.64 105.63 2day n GLU 27 Ca -0.51 1.20 -0.31 0.00 -0.02 0.00 0.00 57.16 57.52 2day n GLU 27 Cb 0.86 -1.81 -0.15 0.00 -0.02 0.00 0.00 31.44 30.33 2day n GLU 27 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2day s LEU 28 N -10.49 2.26 -0.01 -4.62 0.20 -0.63 -3.35 118.68 102.04 2day s LEU 28 Ca -0.11 -0.47 0.07 0.00 0.69 0.00 0.00 54.13 54.30 2day s LEU 28 Cb 0.21 -1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 44.58 2day s LEU 28 CO 0.60 0.29 -0.23 -1.58 -0.29 0.00 0.00 176.35 175.14 2day s GLN 29 N -0.97 1.82 -0.04 1.98 0.74 0.15 -4.52 119.66 118.81 2day s GLN 29 Ca 0.11 -0.86 0.06 0.00 0.05 0.00 0.00 55.36 54.73 2day s GLN 29 Cb -0.10 -1.79 -0.01 0.00 1.10 0.00 0.00 33.01 32.20 2day s GLN 29 CO 0.01 0.49 -0.24 0.08 -0.55 0.00 0.00 175.29 175.08 2day s VAL 30 N -0.59 1.91 -0.26 1.34 1.01 -1.26 -0.39 120.40 122.15 2day s VAL 30 Ca 0.09 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2day s VAL 30 Cb -0.09 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.74 2day s VAL 30 CO -0.00 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 174.91 2day s ILE 31 N -0.29 2.33 0.42 2.22 1.01 0.67 -5.00 121.20 122.55 2day s ILE 31 Ca 0.01 -1.56 -0.26 0.00 0.00 0.00 0.00 60.65 58.84 2day s ILE 31 Cb -0.12 -2.35 -0.09 0.00 0.01 0.00 0.00 42.46 39.92 2day s ILE 31 CO 0.02 -0.02 1.35 -0.54 0.00 0.00 0.00 174.94 175.75 2day s LYS 32 N 1.14 3.89 0.41 2.79 1.02 -1.26 -3.08 119.74 124.64 2day s LYS 32 Ca -0.08 2.27 -0.07 0.00 0.02 0.00 0.00 55.97 58.11 2day s LYS 32 Cb -0.20 -2.74 0.10 0.00 -0.52 0.00 0.00 37.83 34.47 2day s LYS 32 CO -0.05 -0.60 0.51 0.41 -0.92 0.00 0.00 175.35 174.71 2day n GLY 33 N 0.63 -1.51 0.18 -3.33 0.00 -1.26 -4.96 105.19 94.93 2day n GLY 33 Ca 0.04 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 2day n GLY 33 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2day h ASN 34 N -0.87 0.52 0.00 1.61 -0.73 -1.94 -3.48 115.58 110.69 2day h ASN 34 Ca -0.17 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 57.71 2day h ASN 34 Cb 0.48 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.92 2day h ASN 34 CO 0.12 0.69 0.00 0.61 -0.37 0.00 0.00 177.43 178.47 2day n GLY 35 N -0.39 -1.46 3.41 1.57 0.00 -1.26 -5.16 105.19 101.91 2day n GLY 35 Ca -0.02 0.54 -0.23 0.00 0.00 0.00 0.00 46.02 46.31 2day n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2day s ARG 36 N 0.00 1.87 -0.90 1.61 1.81 -1.26 -4.86 118.95 117.22 2day s ARG 36 Ca 0.00 -2.12 -0.06 0.00 -1.72 0.00 0.00 55.73 51.83 2day s ARG 36 Cb 0.00 -0.15 0.06 0.00 -0.45 0.00 0.00 34.95 34.41 2day s ARG 36 CO 0.00 -0.58 0.15 -2.37 -0.68 0.00 0.00 175.30 171.82 2day n THR 37 N -0.79 -0.29 -3.67 0.02 5.66 -1.26 -4.85 114.28 109.11 2day n THR 37 Ca 0.00 -0.14 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 2day n THR 37 Cb 0.64 -0.41 -0.13 0.00 -1.55 0.00 0.00 70.33 68.88 2day n THR 37 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2day s SER 38 N -3.03 0.28 0.10 1.09 1.04 -1.26 -5.08 113.70 106.85 2day s SER 38 Ca 0.20 0.59 -0.31 0.00 0.48 0.00 0.00 55.95 56.92 2day s SER 38 Cb -0.12 0.68 -0.08 0.00 0.10 0.00 0.00 66.02 66.61 2day s SER 38 CO 0.54 -0.23 1.37 -2.16 0.98 0.00 0.00 173.24 173.73 2day s PRO 39 N 2.31 4.33 1.05 4.02 0.04 -1.26 -4.80 135.00 140.69 2day s PRO 39 Ca 0.00 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 2day s PRO 39 Cb -0.12 -3.28 0.27 0.00 0.04 0.00 0.00 34.50 31.41 2day s PRO 39 CO -0.09 -0.42 0.83 0.91 0.04 0.00 0.00 177.00 178.27 2day n TRP 40 N 4.02 -3.65 -3.76 0.56 7.02 -0.29 -4.84 117.44 116.49 2day n TRP 40 Ca 0.11 -0.76 -0.13 0.00 -1.02 0.00 0.00 57.50 55.70 2day n TRP 40 Cb 0.43 -0.95 -0.11 0.00 -2.42 0.00 0.00 31.31 28.26 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 -4.91 0.33 -0.07 -0.99 2.12 -1.18 -3.77 118.70 110.23 2day s GLU 41 Ca 0.57 0.46 -0.05 0.00 0.36 0.00 0.00 54.97 56.30 2day s GLU 41 Cb -0.07 0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.47 2day s GLU 41 CO 0.44 -0.07 0.18 0.42 -0.54 0.00 0.00 175.26 175.70 2day s ILE 42 N 0.39 -0.02 0.29 -3.70 1.01 -1.17 -0.24 121.20 117.76 2day s ILE 42 Ca -0.02 0.06 0.12 0.00 0.00 0.00 0.00 60.65 60.81 2day s ILE 42 Cb -0.04 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 2day s ILE 42 CO -0.02 0.03 -0.18 -0.31 0.00 0.00 0.00 174.94 174.46 2day s TYR 43 N 0.52 2.31 -0.29 3.97 2.02 0.47 -0.93 117.35 125.42 2day s TYR 43 Ca -0.04 -0.36 -0.23 0.00 -0.37 0.00 0.00 57.07 56.07 2day s TYR 43 Cb -0.05 -1.06 0.15 0.00 -0.40 0.00 0.00 41.96 40.59 2day s TYR 43 CO -0.03 0.69 1.12 -1.50 -1.57 0.00 0.00 175.55 174.27 2day s ILE 44 N -2.53 0.00 -0.32 2.71 2.07 -0.87 -0.68 121.20 121.58 2day s ILE 44 Ca 0.30 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.35 2day s ILE 44 Cb -0.04 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.55 2day s ILE 44 CO 0.15 0.00 0.57 -0.89 -1.91 0.00 0.00 174.94 172.86 2day s THR 45 N 0.44 4.98 0.12 4.00 2.01 -1.21 -0.17 115.64 125.81 2day s THR 45 Ca 0.01 0.64 0.04 0.00 0.31 0.00 0.00 61.69 62.69 2day s THR 45 Cb -0.05 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2day s THR 45 CO -0.10 -0.15 0.08 -0.22 -0.69 0.00 0.00 174.62 173.54 2day s LEU 46 N 2.50 3.72 -0.08 4.42 2.96 -0.78 -4.99 118.68 126.43 2day s LEU 46 Ca 0.22 -0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 53.73 2day s LEU 46 Cb -0.15 -2.38 0.10 0.00 0.50 0.00 0.00 46.19 44.26 2day s LEU 46 CO 0.12 0.13 0.84 -1.38 -1.32 0.00 0.00 176.35 174.75 2day s HIS 47 N -1.53 -0.48 0.25 5.38 -3.43 -1.26 -3.00 115.29 111.22 2day s HIS 47 Ca 0.29 0.73 -0.30 0.00 -0.80 0.00 0.00 55.06 54.99 2day s HIS 47 Cb -0.11 0.46 -0.09 0.00 -1.43 0.00 0.00 32.58 31.40 2day s HIS 47 CO 0.22 -0.50 1.27 -1.25 -2.00 0.00 0.00 174.74 172.48 2day s PRO 48 N -1.59 4.43 -0.59 -0.38 0.04 -1.26 -4.94 135.00 130.70 2day s PRO 48 Ca -0.04 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 2day s PRO 48 Cb -0.00 -3.16 0.43 0.00 0.04 0.00 0.00 34.50 31.80 2day s PRO 48 CO 0.02 -0.15 2.02 0.00 0.04 0.00 0.00 177.00 178.93 2day n ALA 49 N 1.89 6.07 -0.00 8.56 0.00 -1.26 -4.13 120.51 131.64 2day n ALA 49 Ca 0.03 -3.12 0.01 0.00 0.00 0.00 0.00 53.44 50.36 2day n ALA 49 Cb 0.43 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 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 -0.73 0.02 -2.28 0.00 5.66 -1.26 -5.04 114.28 110.66 2day n THR 50 Ca 0.57 -0.06 -0.37 0.00 -3.05 0.00 0.00 64.05 61.14 2day n THR 50 Cb 0.72 0.24 -0.01 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 -2.15 2.99 0.00 1.79 0.00 -1.26 -4.94 121.76 118.19 2day s ALA 51 Ca -0.01 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2day s ALA 51 Cb 0.01 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2day s ALA 51 CO 0.10 -0.62 0.00 -0.85 0.00 0.00 0.00 175.76 174.39 2day n GLU 52 N -0.44 0.00 0.03 0.00 0.28 -1.26 -4.88 120.64 114.37 2day n GLU 52 Ca 0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 56.88 2day n GLU 52 Cb 0.48 -0.67 -0.14 0.00 1.43 0.00 0.00 31.44 32.54 2day n GLU 52 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2day h ASP 53 N 0.00 0.38 -6.23 -1.84 3.32 -1.94 -3.48 116.42 106.64 2day h ASP 53 Ca 0.00 -0.96 -0.45 0.00 0.02 0.00 0.00 57.03 55.64 2day h ASP 53 Cb 0.37 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.80 2day h ASP 53 CO 0.00 1.33 -0.82 0.00 -1.72 0.00 0.00 179.24 178.02 2day n GLN 54 N -4.21 -4.74 -0.00 3.56 6.02 -1.26 -4.89 117.38 111.85 2day n GLN 54 Ca -0.13 0.57 -0.04 0.00 -0.01 0.00 0.00 57.00 57.39 2day n GLN 54 Cb 0.76 -5.14 -0.01 0.00 1.02 0.00 0.00 30.24 26.87 2day n GLN 54 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2day n ASP 55 N -2.98 0.73 -0.11 1.08 8.00 -1.26 -4.91 116.55 117.10 2day n ASP 55 Ca -0.21 0.11 -0.18 0.00 0.71 0.00 0.00 54.79 55.22 2day n ASP 55 Cb 0.64 -0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 41.39 2day n ASP 55 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2day n SER 56 N -3.40 2.12 -4.63 -2.24 3.41 -1.26 -4.93 113.62 102.68 2day n SER 56 Ca -0.06 0.01 -0.38 0.00 -0.26 0.00 0.00 58.87 58.17 2day n SER 56 Cb 0.37 -0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 63.79 2day n SER 56 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2day s GLN 57 N -2.42 4.08 0.14 4.33 0.74 -1.26 -5.06 119.66 120.21 2day s GLN 57 Ca -0.30 0.05 -0.14 0.00 0.05 0.00 0.00 55.36 55.03 2day s GLN 57 Cb 0.09 -3.60 0.02 0.00 1.10 0.00 0.00 33.01 30.62 2day s GLN 57 CO 0.46 -0.15 0.37 1.52 -0.55 0.00 0.00 175.29 176.94 2day s TYR 58 N 1.68 -0.03 -0.29 1.67 -0.85 -1.26 -4.35 117.35 113.92 2day s TYR 58 Ca 0.15 -0.32 -0.26 0.00 -0.52 0.00 0.00 57.07 56.13 2day s TYR 58 Cb -0.15 0.18 0.17 0.00 0.38 0.00 0.00 41.96 42.54 2day s TYR 58 CO 0.09 -0.72 1.29 0.54 -1.52 0.00 0.00 175.55 175.23 2day s VAL 59 N -3.85 0.00 -0.11 -3.49 0.11 -1.26 -4.58 120.40 107.22 2day s VAL 59 Ca 0.07 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 2day s VAL 59 Cb 0.02 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.99 2day s VAL 59 CO -0.08 0.00 0.99 0.00 -3.33 0.00 0.00 175.10 172.68 2day s PHE 61 N -2.00 -0.06 -0.32 0.00 -0.12 -1.16 -2.06 117.98 112.26 2day s PHE 61 Ca 0.02 -0.30 -0.08 0.00 -0.05 0.00 0.00 56.93 56.52 2day s PHE 61 Cb -0.01 0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.82 2day s PHE 61 CO -0.03 -0.99 0.13 0.99 -0.05 0.00 0.00 175.22 175.26 2day s THR 62 N -3.90 4.21 -0.27 -4.49 2.01 -0.69 -1.86 115.64 110.64 2day s THR 62 Ca 0.12 -0.73 -0.25 0.00 0.31 0.00 0.00 61.69 61.13 2day s THR 62 Cb -0.02 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.26 2day s THR 62 CO 0.01 -0.03 0.87 -0.22 -0.69 0.00 0.00 174.62 174.57 2day s LEU 63 N 1.52 4.07 -0.22 4.42 0.20 0.77 -0.99 118.68 128.44 2day s LEU 63 Ca 0.02 0.98 -0.06 0.00 0.69 0.00 0.00 54.13 55.76 2day s LEU 63 Cb -0.18 -3.24 -0.03 0.00 -0.43 0.00 0.00 46.19 42.31 2day s LEU 63 CO 0.04 -0.60 0.03 -0.69 -0.29 0.00 0.00 176.35 174.84 2day s VAL 64 N 3.01 4.11 -0.50 1.68 1.01 -0.48 -2.04 120.40 127.20 2day s VAL 64 Ca 0.37 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.96 2day s VAL 64 Cb -0.15 -2.89 0.11 0.00 0.00 0.00 0.00 36.38 33.46 2day s VAL 64 CO 0.09 0.40 0.42 -0.76 0.00 0.00 0.00 175.10 175.25 2day s LEU 65 N 1.22 5.83 -0.71 3.92 2.01 -0.11 -2.67 118.68 128.18 2day s LEU 65 Ca 0.04 -1.66 -0.23 0.00 0.01 0.00 0.00 54.13 52.30 2day s LEU 65 Cb -0.15 -2.14 0.07 0.00 0.01 0.00 0.00 46.19 43.99 2day s LEU 65 CO 0.02 -0.73 1.02 -1.10 1.01 0.00 0.00 176.35 176.57 2day s GLN 66 N 1.55 3.18 -0.47 1.70 1.11 -0.88 -3.05 119.66 122.81 2day s GLN 66 Ca 0.04 -0.89 -0.22 0.00 0.01 0.00 0.00 55.36 54.29 2day s GLN 66 Cb -0.27 -4.33 0.03 0.00 -1.01 0.00 0.00 33.01 27.43 2day s GLN 66 CO 0.03 -1.85 0.76 0.08 0.01 0.00 0.00 175.29 174.32 2day s VAL 67 N 4.09 4.67 0.26 1.09 1.01 -1.25 -0.64 120.40 129.63 2day s VAL 67 Ca 0.25 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 2day s VAL 67 Cb -0.14 -4.33 0.06 0.00 0.00 0.00 0.00 36.38 31.97 2day s VAL 67 CO 0.08 -0.77 0.23 -0.81 0.00 0.00 0.00 175.10 173.83 2day n PRO 68 N 6.67 -1.47 0.05 2.72 -0.04 -1.26 -1.14 135.00 140.53 2day n PRO 68 Ca 0.00 -0.36 -0.20 0.00 -0.04 0.00 0.00 63.50 62.90 2day n PRO 68 Cb 0.48 -0.34 -0.14 0.00 -0.04 0.00 0.00 33.50 33.45 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 -2.16 -0.07 -0.74 0.55 0.00 -1.95 -3.32 119.26 111.57 2day h ALA 69 Ca -0.09 -0.69 0.13 0.00 0.00 0.00 0.00 54.91 54.27 2day h ALA 69 Cb 0.26 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 2day h ALA 69 CO 0.06 0.39 0.31 0.93 0.00 0.00 0.00 179.25 180.94 2day h GLU 70 N -0.30 0.46 -3.02 0.00 3.07 -1.94 -3.44 114.58 109.41 2day h GLU 70 Ca -0.14 -0.03 -0.34 0.00 -0.50 0.00 0.00 59.36 58.35 2day h GLU 70 Cb 1.63 -0.10 0.05 0.00 -0.84 0.00 0.00 28.75 29.49 2day h GLU 70 CO 0.16 0.30 -0.24 0.98 -1.40 0.00 0.00 179.01 178.80 2day n TYR 71 N -4.97 -0.20 0.26 4.33 4.19 -1.24 -1.50 117.16 118.03 2day n TYR 71 Ca 0.13 0.49 0.15 0.00 3.31 0.00 0.00 57.90 61.98 2day n TYR 71 Cb 0.38 -0.99 0.64 0.00 0.49 0.00 0.00 39.34 39.86 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 0.58 0.00 -0.65 2.98 0.13 -1.93 -3.44 132.00 129.67 2day h PRO 72 Ca -0.15 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.18 2day h PRO 72 Cb 0.72 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.73 2day h PRO 72 CO 0.29 0.08 0.08 0.72 -0.23 0.00 0.00 178.00 178.94 2day n HIS 73 N -3.23 0.48 -4.45 1.56 8.25 -0.56 -4.10 115.22 113.17 2day n HIS 73 Ca 0.00 0.78 -0.32 0.00 -0.26 0.00 0.00 57.72 57.92 2day n HIS 73 Cb 0.33 -1.03 -0.10 0.00 1.12 0.00 0.00 29.99 30.31 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 -5.43 2.57 0.32 -0.41 2.12 -1.25 -4.92 118.70 111.70 2day s GLU 74 Ca -0.08 -0.71 -0.27 0.00 0.36 0.00 0.00 54.97 54.27 2day s GLU 74 Cb 0.20 -2.52 -0.09 0.00 0.26 0.00 0.00 34.13 31.98 2day s GLU 74 CO 0.51 0.61 1.03 0.14 -0.54 0.00 0.00 175.26 177.01 2day s VAL 75 N -1.00 3.77 0.07 3.70 -7.23 -1.26 -3.61 120.40 114.85 2day s VAL 75 Ca 0.17 1.58 -0.31 0.00 -1.81 0.00 0.00 61.98 61.61 2day s VAL 75 Cb -0.11 -3.93 -0.07 0.00 0.56 0.00 0.00 36.38 32.83 2day s VAL 75 CO 0.07 0.23 1.39 -2.16 -0.31 0.00 0.00 175.10 174.32 2day s PRO 76 N -1.85 4.31 0.05 4.82 0.04 -1.26 -4.77 135.00 136.34 2day s PRO 76 Ca 0.49 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.26 2day s PRO 76 Cb -0.26 -3.37 -0.10 0.00 0.04 0.00 0.00 34.50 30.82 2day s PRO 76 CO 0.32 -0.48 1.95 1.04 0.04 0.00 0.00 177.00 179.87 2day n GLN 77 N 4.44 2.83 -3.01 4.56 1.13 0.19 -4.70 117.38 122.82 2day n GLN 77 Ca 0.12 1.04 -0.41 0.00 -1.94 0.00 0.00 57.00 55.80 2day n GLN 77 Cb 0.43 -2.98 -0.05 0.00 0.11 0.00 0.00 30.24 27.75 2day n GLN 77 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2day s ILE 78 N 4.10 4.91 0.07 5.09 1.01 -1.26 -2.06 121.20 133.06 2day s ILE 78 Ca 0.88 1.31 0.03 0.00 0.00 0.00 0.00 60.65 62.87 2day s ILE 78 Cb -0.46 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 2day s ILE 78 CO 0.42 -0.04 -0.10 -0.44 0.00 0.00 0.00 174.94 174.78 2day s SER 79 N 1.43 1.22 -0.08 3.58 0.01 -1.09 -5.01 113.70 113.76 2day s SER 79 Ca 0.30 -0.66 0.05 0.00 1.31 0.00 0.00 55.95 56.95 2day s SER 79 Cb -0.15 0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 2day s SER 79 CO 0.08 -0.20 -0.23 -0.63 0.41 0.00 0.00 173.24 172.66 2day s ILE 80 N -1.76 1.98 0.03 1.44 1.01 -1.26 -1.38 121.20 121.26 2day s ILE 80 Ca -0.03 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.67 2day s ILE 80 Cb -0.07 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2day s ILE 80 CO 0.00 0.55 -0.09 -0.13 0.00 0.00 0.00 174.94 175.27 2day s ARG 81 N 0.16 2.41 -1.33 2.79 1.81 -0.17 -4.68 118.95 119.94 2day s ARG 81 Ca -0.12 -0.82 -0.15 0.00 -1.72 0.00 0.00 55.73 52.92 2day s ARG 81 Cb -0.16 -2.42 0.01 0.00 -0.45 0.00 0.00 34.95 31.93 2day s ARG 81 CO 0.06 0.57 0.47 0.09 -0.68 0.00 0.00 175.30 175.82 2day n ASN 82 N 1.37 -2.16 -4.56 0.23 3.02 -1.26 -1.71 115.26 110.19 2day n ASN 82 Ca -0.15 -1.16 -0.27 0.00 -0.03 0.00 0.00 54.58 52.97 2day n ASN 82 Cb 0.52 -2.37 -0.05 0.00 -0.61 0.00 0.00 39.78 37.27 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 -6.89 2.55 0.12 3.52 0.04 -1.26 -4.43 135.00 128.65 2day s PRO 83 Ca 0.24 -0.28 0.04 0.00 0.04 0.00 0.00 61.00 61.04 2day s PRO 83 Cb -0.12 -5.06 -0.04 0.00 0.04 0.00 0.00 34.50 29.33 2day s PRO 83 CO 0.93 -3.38 0.10 0.50 0.04 0.00 0.00 177.00 175.19 2day s ARG 84 N 7.02 2.86 0.00 4.56 3.52 -0.87 -4.53 118.95 131.50 2day s ARG 84 Ca 0.70 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 2day s ARG 84 Cb -0.07 -2.67 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 2day s ARG 84 CO -0.01 0.53 0.00 0.41 -0.81 0.00 0.00 175.30 175.42 2day n GLY 85 N 0.12 1.93 3.95 8.12 0.00 -1.26 -1.99 105.19 116.05 2day n GLY 85 Ca -0.09 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 3.78 0.42 0.99 1.43 -1.26 -4.90 118.68 119.14 2day s LEU 86 Ca 0.00 0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.53 2day s LEU 86 Cb 0.00 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 2day s LEU 86 CO 0.00 -0.55 0.44 -0.55 0.23 0.00 0.00 176.35 175.92 2day s SER 87 N -4.15 5.23 0.37 2.29 0.15 -1.26 -4.90 113.70 111.42 2day s SER 87 Ca 0.45 -0.66 0.10 0.00 0.70 0.00 0.00 55.95 56.54 2day s SER 87 Cb -0.10 -0.58 0.84 0.00 -1.71 0.00 0.00 66.02 64.47 2day s SER 87 CO 0.37 -0.69 1.89 0.44 1.20 0.00 0.00 173.24 176.44 2day h ASP 88 N 0.91 0.62 -0.40 5.45 3.32 -1.99 -0.16 116.42 124.15 2day h ASP 88 Ca -0.41 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.54 2day h ASP 88 Cb 1.27 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2day h ASP 88 CO 0.54 0.32 -0.25 1.05 -1.72 0.00 0.00 179.24 179.18 2day h GLU 89 N 0.66 0.92 0.42 3.56 -0.00 -2.00 -2.91 114.58 115.22 2day h GLU 89 Ca 0.42 -0.40 -0.02 0.00 -0.00 0.00 0.00 59.36 59.36 2day h GLU 89 Cb 0.69 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 29.42 2day h GLU 89 CO -0.18 1.06 -0.20 1.96 -0.00 0.00 0.00 179.01 181.65 2day h GLN 90 N 0.78 -0.54 -0.98 1.06 4.20 -1.49 -2.67 115.11 115.48 2day h GLN 90 Ca 0.10 0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.99 2day h GLN 90 Cb 0.81 0.12 -0.16 0.00 0.30 0.00 0.00 27.48 28.56 2day h GLN 90 CO 0.07 -0.36 -0.38 -0.89 -0.67 0.00 0.00 178.83 176.60 2day n ILE 91 N -4.37 -0.52 -0.36 2.54 5.41 -0.24 0.12 119.36 121.94 2day n ILE 91 Ca -0.07 2.30 0.05 0.00 1.00 0.00 0.00 62.75 66.02 2day n ILE 91 Cb 0.22 -3.03 0.21 0.00 -0.71 0.00 0.00 39.64 36.32 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 1.16 -0.58 1.39 2.76 -1.59 -1.74 115.15 116.55 2day h HIS 92 Ca 0.34 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 2day h HIS 92 Cb 0.59 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 2day h HIS 92 CO -0.86 0.52 0.32 1.15 -1.30 0.00 0.00 177.93 177.77 2day h THR 93 N 1.07 1.19 0.00 6.26 2.02 0.13 -1.36 112.91 122.21 2day h THR 93 Ca 0.46 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2day h THR 93 Cb 0.34 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2day h THR 93 CO -0.22 0.20 -0.01 0.40 0.37 0.00 0.00 175.52 176.26 2day h ILE 94 N 0.78 0.04 0.00 3.11 2.04 -0.25 -2.37 117.51 120.85 2day h ILE 94 Ca 0.20 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2day h ILE 94 Cb 0.03 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2day h ILE 94 CO -0.03 0.01 -0.20 -0.07 0.00 0.00 0.00 178.15 177.85 2day h LEU 95 N 0.00 0.00 -1.91 1.44 3.38 -0.89 -2.84 115.31 114.49 2day h LEU 95 Ca -0.00 -0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.16 2day h LEU 95 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2day h LEU 95 CO 0.00 0.64 0.67 0.06 0.09 0.00 0.00 178.44 179.90 2day h GLN 96 N -1.00 0.07 0.00 1.13 3.07 -1.24 -0.18 115.11 116.96 2day h GLN 96 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2day h GLN 96 Cb 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.81 2day h GLN 96 CO -0.01 0.04 0.00 0.28 0.09 0.00 0.00 178.83 179.24 2day n VAL 97 N -4.31 0.00 -0.57 1.86 0.31 -0.90 -3.69 118.33 111.03 2day n VAL 97 Ca 0.20 0.57 0.46 0.00 -0.01 0.00 0.00 64.34 65.56 2day n VAL 97 Cb 0.96 -1.42 0.77 0.00 -0.91 0.00 0.00 33.84 33.24 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 0.05 -0.42 7.52 3.38 -1.32 0.46 115.31 124.97 2day h LEU 98 Ca 0.00 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2day h LEU 98 Cb 0.00 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2day h LEU 98 CO 0.00 -0.03 0.22 1.23 0.09 0.00 0.00 178.44 179.94 2day h GLY 99 N 0.02 0.58 0.99 0.83 0.00 -1.13 -1.90 103.07 102.47 2day h GLY 99 Ca 0.83 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.92 2day h GLY 99 CO -0.09 0.11 -0.05 1.12 0.00 0.00 0.00 176.54 177.63 2day h HIS 100 N 0.44 0.90 -0.91 5.60 2.07 -0.16 -2.95 115.15 120.13 2day h HIS 100 Ca 0.18 -0.18 0.10 0.00 -2.85 0.00 0.00 60.37 57.63 2day h HIS 100 Cb 0.08 -0.23 -0.07 0.00 2.57 0.00 0.00 27.41 29.76 2day h HIS 100 CO -0.10 0.89 0.58 0.28 -3.07 0.00 0.00 177.93 176.52 2day h VAL 101 N 0.65 0.95 0.42 6.12 2.07 -1.28 -2.42 116.25 122.76 2day h VAL 101 Ca 0.12 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2day h VAL 101 Cb 0.57 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2day h VAL 101 CO 0.03 0.16 -0.52 0.00 0.02 0.00 0.00 177.57 177.26 2day h ALA 102 N 1.55 -1.13 -0.91 1.67 0.00 -1.17 -2.02 119.26 117.25 2day h ALA 102 Ca 0.43 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.31 2day h ALA 102 Cb 0.44 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2day h ALA 102 CO -0.19 -1.18 0.59 0.87 0.00 0.00 0.00 179.25 179.33 2day h LYS 103 N -0.96 0.70 0.00 0.00 1.57 -1.53 0.37 116.57 116.73 2day h LYS 103 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2day h LYS 103 Cb 0.86 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2day h LYS 103 CO -0.12 0.47 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 2day n ALA 104 N -2.42 1.14 -1.81 3.86 0.00 -0.79 -1.70 120.51 118.79 2day n ALA 104 Ca 0.18 0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 2day n ALA 104 Cb 0.47 -1.34 0.14 0.00 0.00 0.00 0.00 19.45 18.73 2day n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2day n GLY 105 N -1.09 5.07 3.84 0.00 0.00 0.13 -5.06 105.19 108.08 2day n GLY 105 Ca -0.01 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.11 3.66 0.00 0.99 1.43 -0.69 -3.83 118.68 117.12 2day s LEU 106 Ca 0.41 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 2day s LEU 106 Cb 0.38 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 42.09 2day s LEU 106 CO -0.05 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.58 2day n GLY 107 N -1.48 3.25 3.53 -3.19 0.00 -1.26 -4.98 105.19 101.05 2day n GLY 107 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.36 0.00 0.10 2.61 -4.23 -1.25 -4.96 115.64 105.56 2day s THR 108 Ca 0.00 -1.52 -0.36 0.00 -1.18 0.00 0.00 61.69 58.64 2day s THR 108 Cb 0.00 -2.50 -0.17 0.00 1.34 0.00 0.00 72.50 71.17 2day s THR 108 CO 0.00 0.00 1.21 0.00 -0.54 0.00 0.00 174.62 175.29 2day n ALA 109 N -0.48 -1.39 0.00 3.99 0.00 -1.26 -4.85 120.51 116.52 2day n ALA 109 Ca -0.01 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2day n ALA 109 Cb 0.62 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 2.06 1.36 -0.26 0.00 3.85 -1.26 -4.83 117.12 118.03 2day n MET 110 Ca 0.18 0.00 0.04 0.00 -1.00 0.00 0.00 57.70 56.91 2day n MET 110 Cb 0.19 -0.72 0.10 0.00 -1.05 0.00 0.00 33.22 31.74 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 -1.34 -0.28 0.08 3.17 4.77 -1.26 0.70 117.00 122.83 2day n LEU 111 Ca 0.00 1.26 -0.13 0.00 -0.03 0.00 0.00 56.01 57.11 2day n LEU 111 Cb 0.22 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2day n LEU 111 CO 0.00 -1.20 0.62 0.22 -1.33 0.00 0.00 177.39 175.70 2day h TYR 112 N 0.00 -1.02 0.09 -1.77 3.20 -1.99 -2.15 116.97 113.33 2day h TYR 112 Ca 0.34 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.25 2day h TYR 112 Cb 0.52 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 2day h TYR 112 CO -0.57 -0.46 -0.32 0.93 -1.64 0.00 0.00 178.16 176.10 2day h GLU 113 N -0.54 -0.46 -0.88 1.82 3.07 -0.05 -2.12 114.58 115.41 2day h GLU 113 Ca 0.05 0.03 0.15 0.00 -0.50 0.00 0.00 59.36 59.09 2day h GLU 113 Cb 0.61 0.10 -0.15 0.00 -0.84 0.00 0.00 28.75 28.48 2day h GLU 113 CO -0.27 -0.30 -0.31 1.28 -1.40 0.00 0.00 179.01 178.00 2day n LEU 114 N -4.29 -0.51 -0.02 1.33 4.77 -0.73 0.27 117.00 117.83 2day n LEU 114 Ca -0.05 1.54 -0.09 0.00 -0.03 0.00 0.00 56.01 57.37 2day n LEU 114 Cb 0.25 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2day n LEU 114 CO 0.10 -1.40 0.70 0.40 -1.33 0.00 0.00 177.39 175.86 2day h ILE 115 N 0.00 0.42 -0.59 -0.08 2.04 -0.91 0.56 117.51 118.95 2day h ILE 115 Ca 0.34 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.30 2day h ILE 115 Cb 0.56 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 36.98 2day h ILE 115 CO -0.89 0.00 0.18 -0.33 0.00 0.00 0.00 178.15 177.11 2day h GLU 116 N -0.27 0.32 0.49 2.37 4.39 0.47 -2.51 114.58 119.84 2day h GLU 116 Ca 0.12 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2day h GLU 116 Cb 0.45 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2day h GLU 116 CO -0.34 0.21 -0.24 -0.22 -1.16 0.00 0.00 179.01 177.27 2day h LYS 117 N 0.33 -0.64 -0.72 2.33 1.63 -0.32 -3.08 116.57 116.10 2day h LYS 117 Ca 0.30 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.26 2day h LYS 117 Cb 0.41 0.14 -0.12 0.00 -0.60 0.00 0.00 32.23 32.07 2day h LYS 117 CO -0.34 -0.41 -0.28 0.41 -3.45 0.00 0.00 179.45 175.38 2day n GLY 118 N -1.30 -1.47 0.38 5.01 0.00 0.11 -0.53 105.19 107.38 2day n GLY 118 Ca -0.12 0.80 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.71 -0.91 1.61 1.57 -1.46 -2.80 116.57 113.87 2day h LYS 119 Ca 0.25 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 59.22 2day h LYS 119 Cb 0.43 0.16 -0.15 0.00 0.08 0.00 0.00 32.23 32.76 2day h LYS 119 CO -0.71 -0.48 -0.36 0.39 -0.57 0.00 0.00 179.45 177.72 2day n GLU 120 N -4.74 -0.22 -0.32 3.15 1.02 0.30 0.11 120.64 119.95 2day n GLU 120 Ca -0.09 1.41 0.20 0.00 -0.02 0.00 0.00 57.16 58.66 2day n GLU 120 Cb 0.35 -2.09 0.40 0.00 -0.02 0.00 0.00 31.44 30.08 2day n GLU 120 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2day h ILE 121 N 0.00 0.15 -0.39 -3.67 2.04 -1.09 0.74 117.51 115.28 2day h ILE 121 Ca 0.32 -0.04 -0.15 0.00 1.00 0.00 0.00 64.86 65.98 2day h ILE 121 Cb 0.54 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2day h ILE 121 CO -0.91 0.02 -0.36 -0.07 0.00 0.00 0.00 178.15 176.84 2day h LEU 122 N 0.12 0.96 -7.49 1.44 3.38 0.83 -3.44 115.31 111.11 2day h LEU 122 Ca 0.68 -0.43 -0.30 0.00 0.09 0.00 0.00 57.88 57.92 2day h LEU 122 Cb 1.54 -0.27 -0.34 0.00 0.09 0.00 0.00 40.66 41.68 2day h LEU 122 CO -0.75 1.21 -0.72 -0.94 0.09 0.00 0.00 178.44 177.34 2day s SER 123 N -6.82 0.17 0.00 -0.43 1.04 0.26 -4.89 113.70 103.02 2day s SER 123 Ca -0.11 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2day s SER 123 Cb 0.12 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.19 2day s SER 123 CO 0.87 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.56 2day n GLY 124 N 4.32 1.35 0.05 7.32 0.00 -1.19 -4.12 105.19 112.92 2day n GLY 124 Ca -0.25 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.08 -2.34 1.61 -0.04 -1.26 -4.74 135.00 128.30 2day n PRO 125 Ca 0.00 0.32 -0.42 0.00 -0.04 0.00 0.00 63.50 63.36 2day n PRO 125 Cb 0.00 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 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 -3.48 6.99 0.05 3.54 0.01 -1.26 -5.03 113.70 114.53 2day s SER 126 Ca 0.06 2.09 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2day s SER 126 Cb 0.09 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2day s SER 126 CO 0.31 -0.54 0.17 -0.94 0.41 0.00 0.00 173.24 172.64 2day s SER 127 N 1.16 6.14 0.00 2.44 1.04 -1.26 -5.05 113.70 118.17 2day s SER 127 Ca 0.60 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2day s SER 127 Cb -0.31 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2day s SER 127 CO 0.29 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.31