#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2day h SER 2 N 0.00 0.10 -3.17 1.61 0.87 -2.09 -3.46 113.55 107.41 2day h SER 2 Ca 0.00 -0.99 -0.43 0.00 -1.23 0.00 0.00 61.79 59.15 2day h SER 2 Cb 0.00 -0.03 0.21 0.00 -0.44 0.00 0.00 62.40 62.14 2day h SER 2 CO 0.00 1.09 -0.02 -0.55 -0.53 0.00 0.00 176.83 176.82 2day s SER 3 N -6.39 0.56 0.00 6.23 0.15 -1.26 -5.01 113.70 107.98 2day s SER 3 Ca -0.18 1.42 0.00 0.00 0.70 0.00 0.00 55.95 57.89 2day s SER 3 Cb -0.02 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2day s SER 3 CO 0.72 -4.44 0.00 0.61 1.20 0.00 0.00 173.24 171.33 2day n GLY 4 N 0.94 4.60 0.20 9.45 0.00 -1.26 -5.00 105.19 114.13 2day n GLY 4 Ca 0.03 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.88 2day n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2day n SER 5 N 0.00 1.27 -3.66 1.61 3.41 -1.26 -4.98 113.62 110.00 2day n SER 5 Ca 0.00 -1.13 -0.08 0.00 -0.26 0.00 0.00 58.87 57.40 2day n SER 5 Cb 0.00 0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 2day n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2day s SER 6 N -0.74 -0.73 -0.14 4.04 0.15 -1.26 -5.07 113.70 109.96 2day s SER 6 Ca 0.06 1.24 -0.20 0.00 0.70 0.00 0.00 55.95 57.75 2day s SER 6 Cb 0.05 1.28 -0.17 0.00 -1.71 0.00 0.00 66.02 65.46 2day s SER 6 CO 0.11 -0.22 0.46 1.23 1.20 0.00 0.00 173.24 176.02 2day h GLY 7 N 7.32 0.00 -1.91 9.45 0.00 -2.00 -3.47 103.07 112.46 2day h GLY 7 Ca -0.29 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.50 2day h GLY 7 CO 0.20 0.00 0.03 -1.84 0.00 0.00 0.00 176.54 174.93 2day n GLU 8 N -4.63 0.16 -3.28 4.80 0.28 -1.26 -5.03 120.64 111.68 2day n GLU 8 Ca -0.10 0.12 -0.22 0.00 -0.16 0.00 0.00 57.16 56.80 2day n GLU 8 Cb 0.37 -2.21 0.04 0.00 1.43 0.00 0.00 31.44 31.07 2day n GLU 8 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2day n GLU 9 N -2.41 0.65 -3.85 3.44 -0.00 -1.26 -5.15 120.64 112.06 2day n GLU 9 Ca 0.12 -3.17 -0.11 0.00 -0.00 0.00 0.00 57.16 54.00 2day n GLU 9 Cb 0.51 0.02 -0.09 0.00 -0.00 0.00 0.00 31.44 31.88 2day n GLU 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2day s ASP 10 N -4.35 0.02 -0.28 -1.84 2.15 -1.26 -5.14 116.67 105.96 2day s ASP 10 Ca 0.47 -0.31 -0.16 0.00 0.43 0.00 0.00 52.55 52.98 2day s ASP 10 Cb -0.04 0.27 -0.03 0.00 -0.30 0.00 0.00 42.92 42.83 2day s ASP 10 CO 0.30 -0.51 0.43 0.86 -0.17 0.00 0.00 175.17 176.08 2day s TRP 11 N -2.25 3.24 0.17 -5.34 -0.11 -1.26 -4.94 118.94 108.44 2day s TRP 11 Ca -0.08 0.42 0.13 0.00 1.22 0.00 0.00 56.10 57.79 2day s TRP 11 Cb -0.03 -2.67 0.32 0.00 -1.50 0.00 0.00 33.47 29.60 2day s TRP 11 CO -0.02 -0.30 1.57 -0.24 -4.62 0.00 0.00 176.95 173.34 2day h VAL 12 N 5.43 1.26 -0.30 5.86 3.04 -1.98 -3.25 116.25 126.31 2day h VAL 12 Ca -0.30 -2.18 0.04 0.00 -1.01 0.00 0.00 66.70 63.25 2day h VAL 12 Cb 1.15 2.23 -0.07 0.00 -2.01 0.00 0.00 31.29 32.59 2day h VAL 12 CO 0.69 0.59 -0.55 0.25 -1.01 0.00 0.00 177.57 177.53 2day h LEU 13 N 0.00 -1.80 -0.64 3.16 5.85 -1.92 0.20 115.31 120.16 2day h LEU 13 Ca -0.01 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2day h LEU 13 Cb 1.18 0.73 0.00 0.00 0.37 0.00 0.00 40.66 42.94 2day h LEU 13 CO 0.08 -0.43 0.00 -0.81 -0.34 0.00 0.00 178.44 176.94 2day n PRO 14 N -5.37 0.17 0.15 5.25 -0.04 -1.25 -2.28 135.00 131.63 2day n PRO 14 Ca -0.04 0.41 0.06 0.00 -0.04 0.00 0.00 63.50 63.89 2day n PRO 14 Cb 0.35 -1.83 0.05 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.00 0.39 3.54 0.02 -0.72 -3.31 113.55 113.47 2day h SER 15 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 2day h SER 15 Cb 0.34 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.83 2day h SER 15 CO 0.00 0.29 -1.84 1.21 -1.14 0.00 0.00 176.83 175.35 2day n GLU 16 N -3.08 0.64 0.38 3.45 2.13 -0.11 -4.30 120.64 119.75 2day n GLU 16 Ca 0.01 0.22 -0.19 0.00 0.66 0.00 0.00 57.16 57.86 2day n GLU 16 Cb 0.66 -1.73 -0.09 0.00 0.27 0.00 0.00 31.44 30.55 2day n GLU 16 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2day h VAL 17 N 0.00 0.10 -1.18 6.31 2.07 -1.58 0.11 116.25 122.09 2day h VAL 17 Ca -0.33 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.55 2day h VAL 17 Cb 2.01 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 31.77 2day h VAL 17 CO 0.06 0.00 0.75 1.05 0.02 0.00 0.00 177.57 179.46 2day h GLU 18 N -1.07 0.22 0.01 1.57 4.11 -1.77 0.25 114.58 117.90 2day h GLU 18 Ca -0.09 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.23 2day h GLU 18 Cb 0.87 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.08 2day h GLU 18 CO 0.07 0.14 -0.41 0.28 0.07 0.00 0.00 179.01 179.16 2day h VAL 19 N 0.22 1.51 0.67 -1.06 2.07 -1.60 -3.29 116.25 114.78 2day h VAL 19 Ca 0.72 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 2day h VAL 19 Cb 2.07 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 34.60 2day h VAL 19 CO -0.38 0.58 -0.40 -0.07 0.02 0.00 0.00 177.57 177.32 2day h LEU 20 N -0.37 -1.00 -0.90 2.57 3.38 0.20 -2.83 115.31 116.36 2day h LEU 20 Ca -0.05 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2day h LEU 20 Cb 1.16 0.29 -0.17 0.00 0.09 0.00 0.00 40.66 42.03 2day h LEU 20 CO 0.08 -0.63 -0.13 -0.62 0.09 0.00 0.00 178.44 177.23 2day n GLU 21 N -5.54 -0.08 -0.31 1.13 1.02 0.35 0.15 120.64 117.36 2day n GLU 21 Ca -0.13 1.39 0.14 0.00 -0.02 0.00 0.00 57.16 58.53 2day n GLU 21 Cb 0.43 -2.12 0.32 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.38 0.00 1.62 0.87 -1.56 1.43 113.55 116.29 2day h SER 22 Ca 0.48 0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 61.14 2day h SER 22 Cb 0.85 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2day h SER 22 CO -0.90 0.01 -0.46 0.40 -0.53 0.00 0.00 176.83 175.35 2day h ILE 23 N 0.42 0.44 -0.56 2.23 2.04 0.14 -3.37 117.51 118.86 2day h ILE 23 Ca 0.57 -1.44 -0.36 0.00 1.00 0.00 0.00 64.86 64.63 2day h ILE 23 Cb 1.09 0.94 -0.15 0.00 -0.74 0.00 0.00 36.82 37.97 2day h ILE 23 CO -0.52 0.15 0.45 -1.22 0.00 0.00 0.00 178.15 177.01 2day n TYR 24 N -4.62 1.68 -0.24 1.37 4.01 0.10 -4.73 117.16 114.73 2day n TYR 24 Ca -0.11 -2.05 -0.06 0.00 -0.16 0.00 0.00 57.90 55.51 2day n TYR 24 Cb 0.31 -1.03 -0.06 0.00 -0.31 0.00 0.00 39.34 38.26 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 0.28 -0.61 -0.11 7.72 4.77 0.49 -1.06 117.00 128.47 2day n LEU 25 Ca 0.34 1.24 -0.22 0.00 -0.03 0.00 0.00 56.01 57.34 2day n LEU 25 Cb 0.58 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2day n LEU 25 CO 0.41 -0.94 -0.95 -0.67 -1.33 0.00 0.00 177.39 173.90 2day n ASP 26 N -4.40 1.91 -0.25 -1.43 2.03 -1.26 -4.41 116.55 108.74 2day n ASP 26 Ca 0.01 0.39 0.17 0.00 0.52 0.00 0.00 54.79 55.88 2day n ASP 26 Cb 0.15 -0.85 0.32 0.00 -0.72 0.00 0.00 41.12 40.01 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 -4.37 -0.05 -4.39 -0.67 1.02 -1.22 -4.26 120.64 106.69 2day n GLU 27 Ca -0.37 1.07 -0.28 0.00 -0.02 0.00 0.00 57.16 57.56 2day n GLU 27 Cb 0.71 -1.80 -0.12 0.00 -0.02 0.00 0.00 31.44 30.21 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 -9.73 2.47 -0.05 -4.62 0.20 -0.23 -3.38 118.68 103.35 2day s LEU 28 Ca -0.08 -0.79 0.01 0.00 0.69 0.00 0.00 54.13 53.96 2day s LEU 28 Cb 0.23 -1.26 0.02 0.00 -0.43 0.00 0.00 46.19 44.76 2day s LEU 28 CO 0.58 0.14 -0.04 -1.10 -0.29 0.00 0.00 176.35 175.64 2day s GLN 29 N -2.47 0.78 -0.08 1.98 -0.21 0.02 -4.56 119.66 115.12 2day s GLN 29 Ca 0.19 -0.07 0.02 0.00 0.02 0.00 0.00 55.36 55.51 2day s GLN 29 Cb -0.09 -0.85 -0.02 0.00 1.00 0.00 0.00 33.01 33.05 2day s GLN 29 CO 0.09 -0.12 -0.11 0.08 -2.12 0.00 0.00 175.29 173.12 2day s VAL 30 N 1.07 3.31 -0.38 1.09 1.01 -1.26 -0.72 120.40 124.53 2day s VAL 30 Ca -0.09 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2day s VAL 30 Cb -0.14 -2.34 0.11 0.00 0.00 0.00 0.00 36.38 34.00 2day s VAL 30 CO -0.01 0.57 0.11 -0.63 0.00 0.00 0.00 175.10 175.14 2day s ILE 31 N -0.47 2.15 -0.08 2.22 1.09 -0.56 -5.02 121.20 120.53 2day s ILE 31 Ca 0.06 -2.45 -0.35 0.00 -1.10 0.00 0.00 60.65 56.81 2day s ILE 31 Cb -0.12 -2.57 -0.13 0.00 -1.06 0.00 0.00 42.46 38.59 2day s ILE 31 CO 0.02 -0.66 1.82 0.29 -0.10 0.00 0.00 174.94 176.30 2day n LYS 32 N 4.06 2.01 -2.03 2.79 5.02 -1.26 -3.73 118.16 125.02 2day n LYS 32 Ca 0.04 0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 56.65 2day n LYS 32 Cb 0.40 -2.55 -0.03 0.00 -0.02 0.00 0.00 35.03 32.83 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 3.56 2.19 0.20 0.72 0.00 -1.26 -4.91 107.32 107.83 2day s GLY 33 Ca 0.92 1.30 -0.19 0.00 0.00 0.00 0.00 44.72 46.75 2day s GLY 33 CO 0.52 2.32 1.58 3.43 0.00 0.00 0.00 173.10 180.94 2day h ASN 34 N 5.45 -1.22 0.00 1.64 2.35 -1.90 -3.44 115.58 118.45 2day h ASN 34 Ca -0.45 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2day h ASN 34 Cb 1.21 0.63 0.00 0.00 0.05 0.00 0.00 38.32 40.21 2day h ASN 34 CO 0.80 -0.30 0.00 0.61 -1.65 0.00 0.00 177.43 176.90 2day n GLY 35 N -1.45 2.79 0.95 2.83 0.00 -1.26 -5.10 105.19 103.94 2day n GLY 35 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2day n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2day n ARG 36 N 0.00 0.00 -0.59 1.61 5.12 -1.26 -4.69 116.66 116.85 2day n ARG 36 Ca 0.00 0.00 0.48 0.00 -1.93 0.00 0.00 57.85 56.40 2day n ARG 36 Cb 0.00 -0.52 0.76 0.00 -1.16 0.00 0.00 32.46 31.54 2day n ARG 36 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2day h THR 37 N 0.00 0.05 -3.71 0.55 1.03 -1.99 -3.33 112.91 105.51 2day h THR 37 Ca 0.00 0.00 -0.64 0.00 -0.01 0.00 0.00 66.41 65.76 2day h THR 37 Cb 1.00 0.06 -0.16 0.00 -1.07 0.00 0.00 68.15 67.98 2day h THR 37 CO 0.00 0.00 -0.28 -0.55 -0.01 0.00 0.00 175.52 174.68 2day s SER 38 N -3.97 6.20 0.12 0.00 0.15 -1.26 -5.03 113.70 109.91 2day s SER 38 Ca -0.05 0.02 -0.31 0.00 0.70 0.00 0.00 55.95 56.31 2day s SER 38 Cb 0.24 -2.20 -0.08 0.00 -1.71 0.00 0.00 66.02 62.28 2day s SER 38 CO 0.82 -0.25 1.36 -2.16 1.20 0.00 0.00 173.24 174.21 2day s PRO 39 N 2.03 4.34 0.44 5.44 0.04 -1.25 -4.74 135.00 141.30 2day s PRO 39 Ca 0.13 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.99 2day s PRO 39 Cb -0.16 -3.25 -0.12 0.00 0.04 0.00 0.00 34.50 31.01 2day s PRO 39 CO 0.11 -0.39 0.52 0.91 0.04 0.00 0.00 177.00 178.18 2day n TRP 40 N 3.78 -0.62 -4.79 0.56 7.02 -0.00 -4.65 117.44 118.74 2day n TRP 40 Ca 0.10 0.58 -0.26 0.00 -1.02 0.00 0.00 57.50 56.90 2day n TRP 40 Cb 0.43 -1.97 -0.15 0.00 -2.42 0.00 0.00 31.31 27.20 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 -1.61 1.48 -0.10 -0.99 2.56 -1.24 -1.09 118.70 117.70 2day s GLU 41 Ca 0.63 -0.84 -0.04 0.00 0.00 0.00 0.00 54.97 54.73 2day s GLU 41 Cb -0.58 -1.52 0.05 0.00 2.00 0.00 0.00 34.13 34.08 2day s GLU 41 CO 0.58 0.40 0.19 0.42 -0.56 0.00 0.00 175.26 176.29 2day s ILE 42 N -0.65 -0.31 0.23 -3.70 1.01 -0.55 -1.49 121.20 115.75 2day s ILE 42 Ca 0.07 0.30 0.05 0.00 0.00 0.00 0.00 60.65 61.08 2day s ILE 42 Cb -0.08 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 2day s ILE 42 CO 0.01 0.12 0.35 -0.31 0.00 0.00 0.00 174.94 175.10 2day s TYR 43 N 2.33 3.44 -0.24 3.97 1.51 0.11 -1.07 117.35 127.39 2day s TYR 43 Ca 0.03 -0.01 -0.28 0.00 -1.01 0.00 0.00 57.07 55.79 2day s TYR 43 Cb -0.12 -1.57 0.15 0.00 -0.11 0.00 0.00 41.96 40.31 2day s TYR 43 CO -0.07 0.45 1.14 -1.50 -1.11 0.00 0.00 175.55 174.46 2day s ILE 44 N -1.97 0.00 -0.16 2.71 2.07 -0.99 -0.80 121.20 122.06 2day s ILE 44 Ca 0.34 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.53 2day s ILE 44 Cb -0.09 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.46 2day s ILE 44 CO 0.29 0.00 0.01 -0.89 -1.91 0.00 0.00 174.94 172.44 2day s THR 45 N -0.58 4.36 0.16 4.00 2.01 -1.22 -0.33 115.64 124.04 2day s THR 45 Ca 0.03 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.90 2day s THR 45 Cb -0.02 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2day s THR 45 CO -0.05 0.49 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.48 2day s LEU 46 N 0.21 2.49 0.03 4.42 1.43 -1.16 -5.00 118.68 121.10 2day s LEU 46 Ca 0.01 -0.94 -0.26 0.00 -1.03 0.00 0.00 54.13 51.90 2day s LEU 46 Cb -0.13 -0.58 0.06 0.00 0.03 0.00 0.00 46.19 45.58 2day s LEU 46 CO 0.02 -0.19 0.61 -1.38 0.23 0.00 0.00 176.35 175.64 2day s HIS 47 N -2.72 -0.56 -0.29 0.29 -3.43 -1.26 -3.41 115.29 103.90 2day s HIS 47 Ca 0.16 0.74 -0.29 0.00 -0.80 0.00 0.00 55.06 54.88 2day s HIS 47 Cb -0.02 0.43 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 2day s HIS 47 CO 0.04 -0.68 1.66 -1.25 -2.00 0.00 0.00 174.74 172.51 2day s PRO 48 N -2.19 3.58 -0.28 -0.38 0.04 -1.26 -4.89 135.00 129.62 2day s PRO 48 Ca -0.06 1.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 2day s PRO 48 Cb -0.01 -4.10 0.17 0.00 0.04 0.00 0.00 34.50 30.60 2day s PRO 48 CO 0.01 -1.56 2.09 0.00 0.04 0.00 0.00 177.00 177.57 2day n ALA 49 N 9.25 5.07 0.01 8.56 0.00 -1.26 -3.82 120.51 138.32 2day n ALA 49 Ca 0.20 -1.52 0.03 0.00 0.00 0.00 0.00 53.44 52.16 2day n ALA 49 Cb 0.46 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 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 0.57 0.00 -2.12 0.00 5.66 -1.26 -4.96 114.28 112.17 2day n THR 50 Ca 0.27 -0.16 -0.43 0.00 -3.05 0.00 0.00 64.05 60.68 2day n THR 50 Cb 0.57 0.37 -0.02 0.00 -1.55 0.00 0.00 70.33 69.70 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 -2.43 2.95 -0.24 1.79 0.00 -1.25 -4.83 121.76 117.75 2day s ALA 51 Ca -0.02 0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 2day s ALA 51 Cb 0.04 -3.98 -0.12 0.00 0.00 0.00 0.00 23.12 19.06 2day s ALA 51 CO 0.28 -2.51 -0.27 -0.85 0.00 0.00 0.00 175.76 172.41 2day n GLU 52 N 8.27 0.54 -0.10 0.00 0.28 -1.26 -4.80 120.64 123.56 2day n GLU 52 Ca 0.21 0.19 -0.18 0.00 -0.16 0.00 0.00 57.16 57.22 2day n GLU 52 Cb 0.47 -1.40 -0.09 0.00 1.43 0.00 0.00 31.44 31.85 2day n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2day n ASP 53 N -3.72 2.06 -4.55 -1.84 9.92 -1.26 -4.88 116.55 112.28 2day n ASP 53 Ca -0.45 0.04 -0.28 0.00 -0.53 0.00 0.00 54.79 53.57 2day n ASP 53 Cb 0.88 -0.44 -0.06 0.00 -0.64 0.00 0.00 41.12 40.86 2day n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2day n GLN 54 N -3.44 0.78 -0.11 -1.24 1.13 -1.26 -4.68 117.38 108.56 2day n GLN 54 Ca -0.38 -0.28 -0.22 0.00 -1.94 0.00 0.00 57.00 54.18 2day n GLN 54 Cb 0.84 -3.33 -0.08 0.00 0.11 0.00 0.00 30.24 27.78 2day n GLN 54 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2day n ASP 55 N 16.19 1.66 0.09 1.08 -0.08 -1.26 -4.44 116.55 129.79 2day n ASP 55 Ca 0.43 0.21 0.19 0.00 -1.51 0.00 0.00 54.79 54.12 2day n ASP 55 Cb 0.46 -0.60 0.62 0.00 2.34 0.00 0.00 41.12 43.94 2day n ASP 55 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2day h SER 56 N -0.67 0.00 -3.66 1.67 4.64 -2.03 -3.36 113.55 110.14 2day h SER 56 Ca -0.54 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.14 2day h SER 56 Cb 1.52 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.45 2day h SER 56 CO -0.30 0.00 -0.18 -1.58 -0.87 0.00 0.00 176.83 173.90 2day s GLN 57 N -4.40 3.78 0.31 4.77 2.00 -1.26 -5.07 119.66 119.78 2day s GLN 57 Ca -0.03 -0.12 0.08 0.00 -2.00 0.00 0.00 55.36 53.28 2day s GLN 57 Cb 0.12 -3.74 -0.04 0.00 0.80 0.00 0.00 33.01 30.15 2day s GLN 57 CO 0.42 -0.46 0.16 1.52 -0.50 0.00 0.00 175.29 176.42 2day s TYR 58 N 2.17 2.83 -0.30 1.67 -0.85 -1.26 -5.02 117.35 116.60 2day s TYR 58 Ca 0.16 -0.28 -0.16 0.00 -0.52 0.00 0.00 57.07 56.26 2day s TYR 58 Cb -0.16 -1.54 0.18 0.00 0.38 0.00 0.00 41.96 40.82 2day s TYR 58 CO 0.11 0.40 1.12 0.54 -1.52 0.00 0.00 175.55 176.21 2day s VAL 59 N -2.32 -0.10 0.05 -3.49 0.11 -1.26 -4.53 120.40 108.86 2day s VAL 59 Ca 0.36 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.15 2day s VAL 59 Cb -0.05 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.86 2day s VAL 59 CO 0.23 0.00 0.60 0.00 -3.33 0.00 0.00 175.10 172.61 2day s PHE 61 N -2.42 -0.25 -0.31 0.00 -0.12 -1.22 -2.09 117.98 111.58 2day s PHE 61 Ca -0.05 0.48 -0.18 0.00 -0.05 0.00 0.00 56.93 57.13 2day s PHE 61 Cb -0.01 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 2day s PHE 61 CO -0.01 -0.33 0.50 0.99 -0.05 0.00 0.00 175.22 176.31 2day s THR 62 N -0.88 5.05 -0.41 -4.49 2.01 -1.09 -3.00 115.64 112.84 2day s THR 62 Ca -0.10 0.57 -0.23 0.00 0.31 0.00 0.00 61.69 62.24 2day s THR 62 Cb -0.04 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.61 2day s THR 62 CO 0.03 -0.06 0.80 -0.22 -0.69 0.00 0.00 174.62 174.48 2day s LEU 63 N 2.33 4.17 -0.32 4.42 0.20 0.55 -1.99 118.68 128.04 2day s LEU 63 Ca 0.19 0.12 -0.10 0.00 0.69 0.00 0.00 54.13 55.03 2day s LEU 63 Cb -0.16 -3.02 -0.00 0.00 -0.43 0.00 0.00 46.19 42.58 2day s LEU 63 CO 0.11 -0.85 0.16 -0.69 -0.29 0.00 0.00 176.35 174.80 2day s VAL 64 N 3.26 4.65 -0.20 1.68 1.01 0.25 -2.35 120.40 128.70 2day s VAL 64 Ca 0.31 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 2day s VAL 64 Cb -0.12 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2day s VAL 64 CO 0.21 0.04 0.08 -0.76 0.00 0.00 0.00 175.10 174.66 2day s LEU 65 N 1.62 3.82 -0.49 3.92 1.43 -0.24 -1.16 118.68 127.58 2day s LEU 65 Ca 0.04 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 2day s LEU 65 Cb -0.17 -1.98 0.13 0.00 0.03 0.00 0.00 46.19 44.19 2day s LEU 65 CO 0.07 0.13 0.29 -1.10 0.23 0.00 0.00 176.35 175.96 2day s GLN 66 N 0.65 2.20 -0.46 1.70 -0.21 -0.31 -1.48 119.66 121.76 2day s GLN 66 Ca 0.04 -2.08 -0.25 0.00 0.02 0.00 0.00 55.36 53.09 2day s GLN 66 Cb -0.13 -3.64 0.03 0.00 1.00 0.00 0.00 33.01 30.27 2day s GLN 66 CO 0.01 -1.11 0.93 0.08 -2.12 0.00 0.00 175.29 173.08 2day s VAL 67 N 0.71 4.47 1.06 1.09 1.01 -0.25 0.14 120.40 128.63 2day s VAL 67 Ca 0.11 0.75 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 2day s VAL 67 Cb -0.22 -4.44 0.22 0.00 0.00 0.00 0.00 36.38 31.94 2day s VAL 67 CO -0.04 -0.83 1.10 -2.16 0.00 0.00 0.00 175.10 173.16 2day s PRO 68 N 3.76 -0.08 0.12 2.72 0.04 -1.26 -0.82 135.00 139.48 2day s PRO 68 Ca 0.37 0.34 -0.18 0.00 0.04 0.00 0.00 61.00 61.57 2day s PRO 68 Cb -0.10 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2day s PRO 68 CO 0.26 -3.03 1.67 0.00 0.04 0.00 0.00 177.00 175.94 2day h ALA 69 N -2.10 0.39 -0.81 8.56 0.00 -1.92 -2.91 119.26 120.48 2day h ALA 69 Ca -0.53 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.46 2day h ALA 69 Cb 1.32 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 2day h ALA 69 CO 0.52 -0.02 0.22 0.93 0.00 0.00 0.00 179.25 180.90 2day h GLU 70 N 0.34 0.26 -3.22 0.00 5.08 -1.93 -3.43 114.58 111.68 2day h GLU 70 Ca 0.10 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 58.09 2day h GLU 70 Cb 0.16 -0.06 0.06 0.00 0.50 0.00 0.00 28.75 29.41 2day h GLU 70 CO -0.01 0.17 -0.28 0.98 -1.00 0.00 0.00 179.01 178.87 2day n TYR 71 N -5.16 -0.25 0.24 4.33 4.19 -1.10 -1.63 117.16 117.77 2day n TYR 71 Ca 0.18 0.52 0.12 0.00 3.31 0.00 0.00 57.90 62.03 2day n TYR 71 Cb 0.56 -1.05 0.57 0.00 0.49 0.00 0.00 39.34 39.90 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 0.55 0.00 -0.58 2.98 0.13 -1.90 -3.44 132.00 129.75 2day h PRO 72 Ca -0.15 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.20 2day h PRO 72 Cb 0.77 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.80 2day h PRO 72 CO 0.31 0.16 0.24 0.72 -0.23 0.00 0.00 178.00 179.20 2day n HIS 73 N -3.37 0.60 -4.26 1.56 8.25 -0.65 -4.12 115.22 113.24 2day n HIS 73 Ca -0.00 0.68 -0.30 0.00 -0.26 0.00 0.00 57.72 57.85 2day n HIS 73 Cb 0.36 -1.08 -0.10 0.00 1.12 0.00 0.00 29.99 30.29 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 -5.01 2.03 0.27 -0.41 2.56 -1.25 -4.94 118.70 111.94 2day s GLU 74 Ca -0.06 -1.07 -0.26 0.00 0.00 0.00 0.00 54.97 53.59 2day s GLU 74 Cb 0.19 -2.25 -0.09 0.00 2.00 0.00 0.00 34.13 33.98 2day s GLU 74 CO 0.45 0.50 0.89 0.14 -0.56 0.00 0.00 175.26 176.68 2day s VAL 75 N -1.19 4.25 -0.03 3.70 -7.23 -1.26 -3.75 120.40 114.89 2day s VAL 75 Ca 0.20 1.80 -0.30 0.00 -1.81 0.00 0.00 61.98 61.87 2day s VAL 75 Cb -0.11 -4.08 -0.05 0.00 0.56 0.00 0.00 36.38 32.70 2day s VAL 75 CO 0.12 0.28 1.47 -2.16 -0.31 0.00 0.00 175.10 174.50 2day s PRO 76 N -1.74 4.24 -0.19 4.82 0.04 -1.26 -4.68 135.00 136.24 2day s PRO 76 Ca 0.45 2.02 -0.28 0.00 0.04 0.00 0.00 61.00 63.23 2day s PRO 76 Cb -0.21 -3.70 -0.06 0.00 0.04 0.00 0.00 34.50 30.58 2day s PRO 76 CO 0.26 -0.67 2.20 0.94 0.04 0.00 0.00 177.00 179.76 2day n GLN 77 N 5.96 2.04 -2.94 4.56 0.00 0.12 -4.61 117.38 122.51 2day n GLN 77 Ca 0.14 0.58 -0.40 0.00 -0.00 0.00 0.00 57.00 57.33 2day n GLN 77 Cb 0.43 -3.20 -0.05 0.00 0.00 0.00 0.00 30.24 27.42 2day n GLN 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2day s ILE 78 N 7.89 4.56 0.05 1.69 1.09 -1.26 -1.16 121.20 134.06 2day s ILE 78 Ca 1.00 1.73 -0.12 0.00 -1.10 0.00 0.00 60.65 62.16 2day s ILE 78 Cb -0.36 -4.16 0.01 0.00 -1.06 0.00 0.00 42.46 36.90 2day s ILE 78 CO 0.36 0.41 0.26 -0.44 -0.10 0.00 0.00 174.94 175.44 2day s SER 79 N -0.42 -0.06 -0.02 3.58 0.01 -0.31 -5.01 113.70 111.47 2day s SER 79 Ca 0.39 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.44 2day s SER 79 Cb -0.22 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 2day s SER 79 CO 0.25 -0.61 -0.23 -0.63 0.41 0.00 0.00 173.24 172.43 2day s ILE 80 N -2.67 1.84 -0.03 1.44 1.01 -1.26 -0.58 121.20 120.95 2day s ILE 80 Ca -0.04 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.66 2day s ILE 80 Cb -0.00 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.93 2day s ILE 80 CO -0.04 0.52 -0.15 -0.13 0.00 0.00 0.00 174.94 175.14 2day s ARG 81 N -0.49 1.45 -1.17 2.79 0.52 -0.84 -4.80 118.95 116.40 2day s ARG 81 Ca 0.07 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2day s ARG 81 Cb -0.09 -1.31 -0.01 0.00 0.52 0.00 0.00 34.95 34.05 2day s ARG 81 CO -0.00 0.25 0.97 0.09 0.02 0.00 0.00 175.30 176.62 2day n ASN 82 N 3.04 -2.93 -4.56 0.23 4.13 -1.26 -2.66 115.26 111.25 2day n ASN 82 Ca -0.17 -0.65 -0.28 0.00 1.68 0.00 0.00 54.58 55.17 2day n ASN 82 Cb 0.54 -5.10 -0.05 0.00 -1.54 0.00 0.00 39.78 33.63 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 -5.20 2.56 0.13 3.52 0.04 -1.26 -4.45 135.00 130.35 2day s PRO 83 Ca 0.09 -0.21 0.03 0.00 0.04 0.00 0.00 61.00 60.95 2day s PRO 83 Cb -0.01 -5.00 -0.04 0.00 0.04 0.00 0.00 34.50 29.49 2day s PRO 83 CO 0.74 -3.32 0.21 1.03 0.04 0.00 0.00 177.00 175.70 2day s ARG 84 N 7.01 3.23 0.00 4.56 0.52 -0.89 -4.54 118.95 128.84 2day s ARG 84 Ca 0.70 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 55.25 2day s ARG 84 Cb -0.07 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.53 2day s ARG 84 CO 0.01 0.53 0.00 0.41 0.02 0.00 0.00 175.30 176.27 2day n GLY 85 N -0.26 1.48 3.83 -3.53 0.00 -1.26 -2.56 105.19 102.89 2day n GLY 85 Ca -0.07 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 2.24 0.38 0.99 1.43 -1.26 -4.97 118.68 117.49 2day s LEU 86 Ca 0.00 0.93 0.08 0.00 -1.03 0.00 0.00 54.13 54.11 2day s LEU 86 Cb 0.00 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 2day s LEU 86 CO 0.00 -2.26 0.08 -0.55 0.23 0.00 0.00 176.35 173.85 2day s SER 87 N -4.21 4.22 0.28 2.29 0.15 -1.26 -4.94 113.70 110.24 2day s SER 87 Ca 0.63 -1.10 0.03 0.00 0.70 0.00 0.00 55.95 56.20 2day s SER 87 Cb -0.13 -0.49 0.67 0.00 -1.71 0.00 0.00 66.02 64.36 2day s SER 87 CO 0.52 -0.41 1.72 -2.24 1.20 0.00 0.00 173.24 174.04 2day h ASP 88 N 1.64 0.44 0.43 5.45 3.04 -1.98 0.13 116.42 125.58 2day h ASP 88 Ca -0.43 0.13 -0.02 0.00 -3.24 0.00 0.00 57.03 53.47 2day h ASP 88 Cb 1.25 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.62 2day h ASP 88 CO 0.71 0.09 -0.21 -0.33 -2.04 0.00 0.00 179.24 177.47 2day h GLU 89 N 0.50 -0.55 0.42 4.15 4.39 -2.00 -2.40 114.58 119.09 2day h GLU 89 Ca 0.53 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.26 2day h GLU 89 Cb 0.93 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 2day h GLU 89 CO -0.46 -0.30 -0.40 1.96 -1.16 0.00 0.00 179.01 178.65 2day h GLN 90 N -0.72 -0.81 -0.73 2.33 4.20 -1.71 -2.26 115.11 115.42 2day h GLN 90 Ca -0.06 0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.80 2day h GLN 90 Cb 0.52 0.18 -0.12 0.00 0.30 0.00 0.00 27.48 28.36 2day h GLN 90 CO 0.10 -0.54 -0.46 0.82 -0.67 0.00 0.00 178.83 178.07 2day h ILE 91 N -0.84 0.05 -0.96 2.54 2.04 -0.82 0.40 117.51 119.92 2day h ILE 91 Ca -0.04 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.01 2day h ILE 91 Cb 0.74 0.05 -0.11 0.00 -0.74 0.00 0.00 36.82 36.76 2day h ILE 91 CO -0.05 0.00 0.56 -0.74 0.00 0.00 0.00 178.15 177.92 2day h HIS 92 N -0.15 0.98 0.08 1.37 2.76 -1.25 -1.38 115.15 117.55 2day h HIS 92 Ca 0.20 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2day h HIS 92 Cb 0.54 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2day h HIS 92 CO -0.80 0.20 -0.04 1.15 -1.30 0.00 0.00 177.93 177.13 2day h THR 93 N 0.70 0.95 -0.32 6.26 2.02 0.35 -1.88 112.91 120.99 2day h THR 93 Ca 0.56 -0.11 0.09 0.00 0.77 0.00 0.00 66.41 67.72 2day h THR 93 Cb 0.87 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2day h THR 93 CO -0.39 0.03 0.44 0.40 0.37 0.00 0.00 175.52 176.36 2day h ILE 94 N -0.16 0.28 0.00 3.11 2.04 -0.07 -1.76 117.51 120.94 2day h ILE 94 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2day h ILE 94 Cb 0.13 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2day h ILE 94 CO 0.02 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.35 2day n LEU 95 N -3.50 0.21 -0.36 1.44 4.77 -0.76 -3.15 117.00 115.66 2day n LEU 95 Ca 0.05 0.47 0.06 0.00 -0.03 0.00 0.00 56.01 56.56 2day n LEU 95 Cb 0.58 -0.47 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 2day n LEU 95 CO 0.24 -0.47 0.66 0.00 -1.33 0.00 0.00 177.39 176.49 2day n GLN 96 N -1.90 -0.09 -0.01 3.23 10.64 -0.90 -0.06 117.38 128.30 2day n GLN 96 Ca 0.00 1.56 -0.09 0.00 -1.83 0.00 0.00 57.00 56.63 2day n GLN 96 Cb 0.00 -2.33 -0.03 0.00 -0.86 0.00 0.00 30.24 27.02 2day n GLN 96 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.06 174.99 2day h VAL 97 N 0.00 0.41 -0.61 -0.39 3.04 -1.49 -2.07 116.25 115.14 2day h VAL 97 Ca 0.48 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.16 2day h VAL 97 Cb 0.73 0.41 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 2day h VAL 97 CO -1.03 0.00 0.34 -0.07 -1.01 0.00 0.00 177.57 175.80 2day h LEU 98 N -0.30 0.75 -0.82 3.16 3.38 -0.42 -2.80 115.31 118.27 2day h LEU 98 Ca 0.11 -0.09 0.20 0.00 0.09 0.00 0.00 57.88 58.19 2day h LEU 98 Cb 0.46 -0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 2day h LEU 98 CO -0.32 0.63 0.15 1.23 0.09 0.00 0.00 178.44 180.21 2day h GLY 99 N 0.82 1.13 0.32 0.83 0.00 0.05 -0.50 103.07 105.72 2day h GLY 99 Ca 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2day h GLY 99 CO -0.04 -0.31 -0.15 0.84 0.00 0.00 0.00 176.54 176.88 2day h HIS 100 N 0.18 -0.40 -1.39 5.60 -0.00 -1.22 -3.14 115.15 114.80 2day h HIS 100 Ca 0.48 -0.01 0.48 0.00 -0.00 0.00 0.00 60.37 61.33 2day h HIS 100 Cb 0.92 0.13 -0.14 0.00 -0.00 0.00 0.00 27.41 28.32 2day h HIS 100 CO -0.32 -0.25 0.89 0.28 -0.00 0.00 0.00 177.93 178.53 2day h VAL 101 N -0.58 0.00 -0.42 5.26 2.07 -1.29 0.67 116.25 121.95 2day h VAL 101 Ca -0.04 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2day h VAL 101 Cb 0.33 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 2day h VAL 101 CO 0.07 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.68 2day h ALA 102 N 1.61 0.41 -0.16 1.67 0.00 -1.04 -1.94 119.26 119.81 2day h ALA 102 Ca 0.89 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 55.72 2day h ALA 102 Cb 2.86 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.84 2day h ALA 102 CO -0.48 -0.37 -0.69 0.87 0.00 0.00 0.00 179.25 178.58 2day h LYS 103 N 0.13 0.66 -0.06 0.00 6.56 0.27 -2.99 116.57 121.13 2day h LYS 103 Ca 0.21 -0.50 0.02 0.00 -1.06 0.00 0.00 60.65 59.32 2day h LYS 103 Cb 0.29 0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2day h LYS 103 CO -0.33 1.12 0.20 0.00 -2.06 0.00 0.00 179.45 178.38 2day h ALA 104 N 0.75 1.39 -0.79 3.86 0.00 -0.68 -1.22 119.26 122.57 2day h ALA 104 Ca -0.03 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 2day h ALA 104 Cb 1.29 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.67 2day h ALA 104 CO 0.14 -0.23 -0.62 0.41 0.00 0.00 0.00 179.25 178.94 2day n GLY 105 N -1.24 6.35 3.87 0.00 0.00 -0.80 -5.05 105.19 108.32 2day n GLY 105 Ca -0.01 -2.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.07 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 -3.63 3.71 0.00 0.99 1.43 -0.46 -3.99 118.68 116.73 2day s LEU 106 Ca 0.53 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2day s LEU 106 Cb 0.42 -4.17 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2day s LEU 106 CO 0.03 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.72 2day n GLY 107 N -1.57 2.82 3.23 -3.19 0.00 -1.26 -4.96 105.19 100.26 2day n GLY 107 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.75 0.00 0.13 2.61 -4.23 -1.26 -4.94 115.64 106.20 2day s THR 108 Ca 0.00 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.17 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 0.96 0.00 -0.54 0.00 0.00 174.62 175.04 2day n ALA 109 N -0.41 -2.26 0.00 3.99 0.00 -1.26 -4.86 120.51 115.71 2day n ALA 109 Ca 0.04 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2day n ALA 109 Cb 0.65 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.46 0.33 -0.25 0.00 3.85 -1.26 -4.84 117.12 116.41 2day n MET 110 Ca 0.17 0.00 0.11 0.00 -1.00 0.00 0.00 57.70 56.98 2day n MET 110 Cb 0.19 -0.64 0.21 0.00 -1.05 0.00 0.00 33.22 31.93 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 -1.53 -0.08 0.13 3.17 4.77 -1.26 0.93 117.00 123.13 2day n LEU 111 Ca 0.00 1.20 -0.14 0.00 -0.03 0.00 0.00 56.01 57.05 2day n LEU 111 Cb 0.14 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2day n LEU 111 CO 0.00 -1.22 0.63 0.22 -1.33 0.00 0.00 177.39 175.69 2day h TYR 112 N 0.00 -0.97 0.32 -1.77 3.20 -1.98 -2.19 116.97 113.58 2day h TYR 112 Ca 0.43 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.31 2day h TYR 112 Cb 0.89 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 2day h TYR 112 CO -0.36 -0.46 -0.38 0.93 -1.64 0.00 0.00 178.16 176.25 2day h GLU 113 N -0.60 -0.69 -0.84 1.82 4.39 0.22 -2.51 114.58 116.37 2day h GLU 113 Ca 0.02 0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.87 2day h GLU 113 Cb 0.62 0.16 -0.12 0.00 -0.10 0.00 0.00 28.75 29.30 2day h GLU 113 CO -0.19 -0.46 -0.40 1.28 -1.16 0.00 0.00 179.01 178.08 2day n LEU 114 N -4.70 -0.70 0.01 1.33 4.77 -0.77 -0.41 117.00 116.53 2day n LEU 114 Ca -0.08 1.47 -0.15 0.00 -0.03 0.00 0.00 56.01 57.22 2day n LEU 114 Cb 0.34 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 2day n LEU 114 CO 0.18 -1.27 0.52 0.40 -1.33 0.00 0.00 177.39 175.90 2day h ILE 115 N 0.00 0.03 -0.89 -0.08 2.04 -1.17 -0.79 117.51 116.64 2day h ILE 115 Ca 0.22 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.32 2day h ILE 115 Cb 0.43 0.03 -0.15 0.00 -0.74 0.00 0.00 36.82 36.39 2day h ILE 115 CO -0.81 0.00 0.24 -0.33 0.00 0.00 0.00 178.15 177.25 2day h GLU 116 N -0.59 0.19 0.15 2.37 4.39 -0.30 0.61 114.58 121.40 2day h GLU 116 Ca 0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2day h GLU 116 Cb 0.69 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2day h GLU 116 CO -0.41 0.12 -0.12 -0.22 -1.16 0.00 0.00 179.01 177.22 2day h LYS 117 N 0.19 -0.26 -0.90 2.33 1.63 -0.13 -2.67 116.57 116.76 2day h LYS 117 Ca 0.57 0.02 0.31 0.00 -0.85 0.00 0.00 60.65 60.69 2day h LYS 117 Cb 1.17 0.06 -0.17 0.00 -0.60 0.00 0.00 32.23 32.69 2day h LYS 117 CO -0.67 -0.18 0.22 0.41 -3.45 0.00 0.00 179.45 175.78 2day n GLY 118 N -1.23 -0.99 0.32 5.01 0.00 0.20 -0.70 105.19 107.80 2day n GLY 118 Ca -0.08 0.82 -0.12 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.72 -0.76 1.61 1.57 -1.42 -3.12 116.57 113.73 2day h LYS 119 Ca 0.64 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 59.62 2day h LYS 119 Cb 1.52 0.16 -0.14 0.00 0.08 0.00 0.00 32.23 33.86 2day h LYS 119 CO -0.78 -0.45 -0.23 0.93 -0.57 0.00 0.00 179.45 178.35 2day h GLU 120 N -1.16 -0.03 -0.37 3.15 5.08 -0.72 -0.91 114.58 119.63 2day h GLU 120 Ca -0.08 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2day h GLU 120 Cb 0.60 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 2day h GLU 120 CO 0.13 -0.02 -0.50 0.82 -1.00 0.00 0.00 179.01 178.43 2day h ILE 121 N -0.03 0.05 -0.23 3.13 2.04 -1.08 0.55 117.51 121.93 2day h ILE 121 Ca 0.35 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.27 2day h ILE 121 Cb 0.57 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2day h ILE 121 CO -0.79 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 177.65 2day h LEU 122 N -0.40 0.00 -3.41 1.44 3.38 -1.11 0.24 115.31 115.44 2day h LEU 122 Ca 0.10 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.70 2day h LEU 122 Cb 0.61 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.14 2day h LEU 122 CO -0.57 0.00 0.47 -0.24 0.09 0.00 0.00 178.44 178.19 2day n SER 123 N -3.45 3.57 -0.58 -0.43 2.88 0.19 -4.67 113.62 111.13 2day n SER 123 Ca 0.03 -3.14 0.00 0.00 -1.33 0.00 0.00 58.87 54.43 2day n SER 123 Cb 0.48 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2day n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2day n GLY 124 N -0.66 -3.73 2.53 0.46 0.00 0.84 -5.01 105.19 99.62 2day n GLY 124 Ca 0.42 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.53 -2.56 -1.94 1.61 -0.04 -1.26 -4.64 135.00 125.64 2day n PRO 125 Ca 0.00 -1.26 -0.43 0.00 -0.04 0.00 0.00 63.50 61.77 2day n PRO 125 Cb 0.00 -1.18 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 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 -3.64 6.04 -0.21 3.54 0.01 -1.26 -4.97 113.70 113.21 2day s SER 126 Ca 0.51 1.65 -0.03 0.00 1.31 0.00 0.00 55.95 59.39 2day s SER 126 Cb -0.05 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2day s SER 126 CO 0.39 -1.53 -0.06 -0.44 0.41 0.00 0.00 173.24 172.01 2day s SER 127 N 5.68 4.19 0.00 2.44 0.01 -1.26 -5.29 113.70 119.47 2day s SER 127 Ca 0.81 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2day s SER 127 Cb -0.27 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2day s SER 127 CO 0.33 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.59