#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5o n SER 2 N 0.00 -4.06 -4.18 1.61 2.88 -1.26 -4.98 113.62 103.63 1x5o n SER 2 Ca 0.00 -0.19 -0.39 0.00 -1.33 0.00 0.00 58.87 56.96 1x5o n SER 2 Cb 0.00 -2.86 -0.05 0.00 -0.75 0.00 0.00 64.21 60.55 1x5o n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5o s SER 3 N -2.94 6.24 -0.03 -3.46 0.01 -1.26 -5.05 113.70 107.22 1x5o s SER 3 Ca 0.20 -3.41 0.02 0.00 1.31 0.00 0.00 55.95 54.07 1x5o s SER 3 Cb -0.09 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 1x5o s SER 3 CO 0.25 -0.29 -0.08 -0.83 0.41 0.00 0.00 173.24 172.71 1x5o s GLY 4 N 0.61 1.71 -0.09 3.44 0.00 -1.26 -5.11 107.32 106.61 1x5o s GLY 4 Ca 0.25 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 1x5o s GLY 4 CO -0.09 -0.79 -0.04 -0.45 0.00 0.00 0.00 173.10 171.73 1x5o s SER 5 N -1.11 1.86 -0.15 1.64 0.15 -1.26 -5.02 113.70 109.81 1x5o s SER 5 Ca 0.15 -0.20 -0.20 0.00 0.70 0.00 0.00 55.95 56.40 1x5o s SER 5 Cb -0.11 -0.65 -0.24 0.00 -1.71 0.00 0.00 66.02 63.31 1x5o s SER 5 CO 0.04 -0.14 0.47 0.28 1.20 0.00 0.00 173.24 175.09 1x5o h SER 6 N 8.17 0.18 0.00 5.45 0.02 -2.03 -3.51 113.55 121.83 1x5o h SER 6 Ca -0.26 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 59.93 1x5o h SER 6 Cb 1.13 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1x5o h SER 6 CO 0.35 1.47 0.00 0.61 -1.14 0.00 0.00 176.83 178.12 1x5o n GLY 7 N 1.62 2.35 2.99 -3.77 0.00 -1.26 -4.90 105.19 102.23 1x5o n GLY 7 Ca -0.25 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1x5o n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5o n LEU 8 N 0.00 -0.34 -4.80 0.99 4.77 -1.26 -4.83 117.00 111.53 1x5o n LEU 8 Ca 0.00 -0.09 -0.35 0.00 -0.03 0.00 0.00 56.01 55.55 1x5o n LEU 8 Cb 0.00 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.37 1x5o n LEU 8 CO 0.00 -0.85 0.67 -1.59 -1.33 0.00 0.00 177.39 174.29 1x5o s LYS 9 N 7.03 4.26 0.07 3.23 -2.85 -1.26 -5.07 119.74 125.15 1x5o s LYS 9 Ca 1.15 1.27 0.07 0.00 -1.00 0.00 0.00 55.97 57.46 1x5o s LYS 9 Cb -0.94 -2.39 -0.03 0.00 -2.06 0.00 0.00 37.83 32.41 1x5o s LYS 9 CO 0.45 -0.02 -0.19 0.00 0.10 0.00 0.00 175.35 175.68 1x5o s ALA 10 N -1.92 1.64 -0.22 0.59 0.00 -1.26 -5.06 121.76 115.53 1x5o s ALA 10 Ca 0.59 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 1x5o s ALA 10 Cb -0.15 -0.26 -0.18 0.00 0.00 0.00 0.00 23.12 22.54 1x5o s ALA 10 CO 0.19 0.34 0.02 0.43 0.00 0.00 0.00 175.76 176.74 1x5o n SER 11 N 1.49 1.94 -2.71 0.00 7.64 -1.26 -4.95 113.62 115.77 1x5o n SER 11 Ca -0.19 0.32 -0.02 0.00 1.01 0.00 0.00 58.87 59.99 1x5o n SER 11 Cb 0.54 -0.86 0.02 0.00 -1.01 0.00 0.00 64.21 62.90 1x5o n SER 11 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5o s GLY 12 N -5.31 -1.78 0.40 0.23 0.00 -1.26 -5.16 107.32 94.45 1x5o s GLY 12 Ca -0.32 0.71 -0.22 0.00 0.00 0.00 0.00 44.72 44.89 1x5o s GLY 12 CO 0.59 4.26 0.95 0.14 0.00 0.00 0.00 173.10 179.04 1x5o s VAL 13 N 1.25 4.32 0.08 1.40 1.01 -1.26 -5.01 120.40 122.18 1x5o s VAL 13 Ca 0.21 1.57 -0.31 0.00 0.00 0.00 0.00 61.98 63.45 1x5o s VAL 13 Cb 0.09 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1x5o s VAL 13 CO -0.11 -0.19 1.34 -1.10 0.00 0.00 0.00 175.10 175.03 1x5o s GLN 14 N -2.87 4.34 -0.24 2.72 -1.52 -1.26 -5.00 119.66 115.83 1x5o s GLN 14 Ca 0.59 1.96 -0.27 0.00 -1.95 0.00 0.00 55.36 55.70 1x5o s GLN 14 Cb -0.12 -3.34 0.13 0.00 -0.22 0.00 0.00 33.01 29.46 1x5o s GLN 14 CO 0.16 -0.41 1.06 0.00 -0.25 0.00 0.00 175.29 175.85 1x5o s ALA 15 N 1.34 -1.98 -0.29 6.09 0.00 -1.26 -5.14 121.76 120.52 1x5o s ALA 15 Ca 0.63 1.76 -0.08 0.00 0.00 0.00 0.00 51.96 54.26 1x5o s ALA 15 Cb -0.34 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1x5o s ALA 15 CO 0.29 -0.25 0.12 -0.65 0.00 0.00 0.00 175.76 175.27 1x5o s GLN 16 N -0.28 3.40 -0.35 0.00 1.11 -1.26 -5.06 119.66 117.22 1x5o s GLN 16 Ca 0.02 -0.67 0.01 0.00 0.01 0.00 0.00 55.36 54.73 1x5o s GLN 16 Cb -0.03 -3.46 0.09 0.00 -1.01 0.00 0.00 33.01 28.60 1x5o s GLN 16 CO -0.04 -0.35 0.08 0.00 0.01 0.00 0.00 175.29 174.98 1x5o s MET 17 N 1.60 1.88 -0.29 2.91 0.23 -1.26 -4.94 119.30 119.43 1x5o s MET 17 Ca 0.05 -1.71 0.10 0.00 -1.03 0.00 0.00 55.69 53.10 1x5o s MET 17 Cb -0.16 -3.30 0.73 0.00 -1.53 0.00 0.00 34.83 30.57 1x5o s MET 17 CO 0.05 -0.90 1.73 0.00 -2.03 0.00 0.00 175.02 173.88 1x5o n ALA 18 N 4.44 4.31 -3.42 3.16 0.00 -1.26 -4.88 120.51 122.87 1x5o n ALA 18 Ca -0.03 -2.08 -0.28 0.00 0.00 0.00 0.00 53.44 51.05 1x5o n ALA 18 Cb 0.42 -1.22 -0.17 0.00 0.00 0.00 0.00 19.45 18.49 1x5o n ALA 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x5o s LYS 19 N -2.79 2.29 0.73 0.00 -0.14 -1.26 -5.13 119.74 113.43 1x5o s LYS 19 Ca 0.52 -0.61 -0.12 0.00 -1.36 0.00 0.00 55.97 54.39 1x5o s LYS 19 Cb 0.41 -1.82 0.03 0.00 -1.68 0.00 0.00 37.83 34.77 1x5o s LYS 19 CO 0.13 0.06 1.10 -0.65 -0.76 0.00 0.00 175.35 175.24 1x5o s GLN 20 N 0.62 2.45 -0.24 1.68 -1.52 -1.26 -5.02 119.66 116.37 1x5o s GLN 20 Ca -0.14 1.27 -0.07 0.00 -1.95 0.00 0.00 55.36 54.47 1x5o s GLN 20 Cb -0.16 -1.91 -0.03 0.00 -0.22 0.00 0.00 33.01 30.68 1x5o s GLN 20 CO 0.04 -1.50 0.07 -1.14 -0.25 0.00 0.00 175.29 172.51 1x5o s GLN 21 N -4.55 3.72 0.38 2.91 0.74 -1.26 -5.09 119.66 116.51 1x5o s GLN 21 Ca 0.64 -0.45 -0.25 0.00 0.05 0.00 0.00 55.36 55.35 1x5o s GLN 21 Cb -0.19 -3.31 -0.09 0.00 1.10 0.00 0.00 33.01 30.52 1x5o s GLN 21 CO 0.50 -0.10 1.06 -2.00 -0.55 0.00 0.00 175.29 174.19 1x5o s GLU 22 N 1.39 4.25 -1.11 1.67 2.56 -1.26 -4.97 118.70 121.24 1x5o s GLU 22 Ca 0.05 1.56 -0.17 0.00 0.00 0.00 0.00 54.97 56.42 1x5o s GLU 22 Cb -0.15 -2.66 0.13 0.00 2.00 0.00 0.00 34.13 33.45 1x5o s GLU 22 CO 0.04 -0.08 1.37 -0.65 -0.56 0.00 0.00 175.26 175.38 1x5o s GLN 23 N -2.30 3.86 -0.89 4.30 -0.21 -1.26 -4.71 119.66 118.45 1x5o s GLN 23 Ca 0.55 -2.09 -0.00 0.00 0.02 0.00 0.00 55.36 53.84 1x5o s GLN 23 Cb -0.24 -5.10 0.26 0.00 1.00 0.00 0.00 33.01 28.93 1x5o s GLN 23 CO 0.30 -1.87 1.01 -3.47 -2.12 0.00 0.00 175.29 169.14 1x5o n ASP 24 N 6.61 4.84 0.00 5.90 2.03 -1.26 -4.85 116.55 129.82 1x5o n ASP 24 Ca 0.34 -3.32 0.07 0.00 0.52 0.00 0.00 54.79 52.40 1x5o n ASP 24 Cb 0.46 -1.02 0.33 0.00 -0.72 0.00 0.00 41.12 40.17 1x5o n ASP 24 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x5o n PRO 25 N 1.56 0.07 -0.39 -0.67 -0.04 -1.26 -3.57 135.00 130.70 1x5o n PRO 25 Ca 0.26 0.22 0.32 0.00 -0.04 0.00 0.00 63.50 64.26 1x5o n PRO 25 Cb 0.37 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 32.92 1x5o n PRO 25 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1x5o h THR 26 N 0.00 0.20 -3.75 0.52 1.35 -1.88 -3.39 112.91 105.96 1x5o h THR 26 Ca 0.00 -0.06 -0.49 0.00 -0.55 0.00 0.00 66.41 65.31 1x5o h THR 26 Cb 0.21 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 1x5o h THR 26 CO 0.00 0.03 0.25 0.21 -0.25 0.00 0.00 175.52 175.76 1x5o s ASN 27 N -4.68 7.25 -0.01 5.36 3.84 -1.23 -1.60 114.94 123.87 1x5o s ASN 27 Ca -0.08 1.68 0.08 0.00 0.21 0.00 0.00 52.86 54.75 1x5o s ASN 27 Cb 0.30 -2.52 -0.02 0.00 -0.55 0.00 0.00 41.25 38.46 1x5o s ASN 27 CO 0.81 -0.01 -0.25 -0.76 -2.79 0.00 0.00 177.10 174.10 1x5o s LEU 28 N -1.95 2.07 -0.55 3.21 1.43 -0.84 -3.03 118.68 119.01 1x5o s LEU 28 Ca 0.47 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 1x5o s LEU 28 Cb -0.18 -1.25 0.08 0.00 0.03 0.00 0.00 46.19 44.86 1x5o s LEU 28 CO 0.23 0.29 0.68 -0.47 0.23 0.00 0.00 176.35 177.31 1x5o s TYR 29 N -0.62 3.00 -0.28 0.29 6.14 0.30 -3.90 117.35 122.28 1x5o s TYR 29 Ca 0.10 -0.71 -0.03 0.00 0.64 0.00 0.00 57.07 57.07 1x5o s TYR 29 Cb -0.09 -3.79 0.03 0.00 0.42 0.00 0.00 41.96 38.52 1x5o s TYR 29 CO -0.00 -1.18 0.00 0.42 0.64 0.00 0.00 175.55 175.42 1x5o s ILE 30 N 2.76 3.24 0.30 3.14 1.01 -1.19 -1.25 121.20 129.20 1x5o s ILE 30 Ca 0.14 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1x5o s ILE 30 Cb -0.21 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.54 1x5o s ILE 30 CO 0.10 0.05 0.09 -1.20 0.00 0.00 0.00 174.94 173.98 1x5o n SER 31 N 4.71 2.49 -3.01 3.58 7.64 -0.29 -0.78 113.62 127.96 1x5o n SER 31 Ca -0.15 -2.20 -0.16 0.00 1.01 0.00 0.00 58.87 57.38 1x5o n SER 31 Cb 0.46 0.12 0.07 0.00 -1.01 0.00 0.00 64.21 63.85 1x5o n SER 31 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1x5o n ASN 32 N -1.46 -3.25 -4.75 6.43 4.13 -0.27 -2.80 115.26 113.29 1x5o n ASN 32 Ca -0.08 -0.49 -0.28 0.00 1.68 0.00 0.00 54.58 55.42 1x5o n ASN 32 Cb 0.36 -4.28 -0.06 0.00 -1.54 0.00 0.00 39.78 34.26 1x5o n ASN 32 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5o s LEU 33 N -5.79 3.66 0.34 3.41 1.43 -0.69 -4.63 118.68 116.42 1x5o s LEU 33 Ca 0.16 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.83 1x5o s LEU 33 Cb -0.07 -2.32 -0.10 0.00 0.03 0.00 0.00 46.19 43.74 1x5o s LEU 33 CO 0.60 0.11 1.22 -2.16 0.23 0.00 0.00 176.35 176.35 1x5o s PRO 34 N -2.78 4.35 0.58 1.29 0.04 -1.26 -4.10 135.00 133.12 1x5o s PRO 34 Ca 0.29 2.01 0.32 0.00 0.04 0.00 0.00 61.00 63.67 1x5o s PRO 34 Cb -0.11 -3.00 1.82 0.00 0.04 0.00 0.00 34.50 33.25 1x5o s PRO 34 CO 0.21 -0.12 2.21 -0.07 0.04 0.00 0.00 177.00 179.28 1x5o h LEU 35 N 3.30 0.00 -1.66 -3.56 3.38 -1.93 -0.50 115.31 114.34 1x5o h LEU 35 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1x5o h LEU 35 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1x5o h LEU 35 CO 0.65 0.04 0.00 -0.24 0.09 0.00 0.00 178.44 178.98 1x5o n SER 36 N -3.58 2.34 -4.80 -0.43 2.88 -1.26 -4.48 113.62 104.29 1x5o n SER 36 Ca -0.02 -2.24 -0.34 0.00 -1.33 0.00 0.00 58.87 54.93 1x5o n SER 36 Cb 0.14 -0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 63.09 1x5o n SER 36 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1x5o s MET 37 N -1.64 3.96 0.05 -1.46 0.00 -0.20 -5.02 119.30 115.00 1x5o s MET 37 Ca 0.19 1.31 0.04 0.00 0.00 0.00 0.00 55.69 57.23 1x5o s MET 37 Cb 0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 34.83 32.78 1x5o s MET 37 CO 0.07 -0.29 -0.12 0.16 0.00 0.00 0.00 175.02 174.84 1x5o s ASP 38 N -2.00 1.46 0.61 1.11 1.47 -1.26 -4.99 116.67 113.07 1x5o s ASP 38 Ca 0.65 -0.50 0.26 0.00 1.18 0.00 0.00 52.55 54.14 1x5o s ASP 38 Cb -0.15 -0.06 0.92 0.00 -0.34 0.00 0.00 42.92 43.29 1x5o s ASP 38 CO 0.19 -0.04 1.33 -0.33 0.68 0.00 0.00 175.17 177.00 1x5o h GLU 39 N 4.73 0.00 0.29 2.11 5.08 -1.96 0.34 114.58 125.17 1x5o h GLU 39 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1x5o h GLU 39 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1x5o h GLU 39 CO 0.43 0.00 -0.14 0.37 -1.00 0.00 0.00 179.01 178.67 1x5o h GLN 40 N 0.00 -0.38 -0.38 2.33 4.15 -1.98 -3.12 115.11 115.73 1x5o h GLN 40 Ca 0.45 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.96 1x5o h GLN 40 Cb 2.75 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 30.44 1x5o h GLN 40 CO -0.00 -0.25 -0.43 1.49 -1.93 0.00 0.00 178.83 177.70 1x5o h GLU 41 N -0.54 -0.33 -1.65 1.69 4.57 -1.34 0.44 114.58 117.41 1x5o h GLU 41 Ca -0.04 0.02 0.48 0.00 -1.18 0.00 0.00 59.36 58.64 1x5o h GLU 41 Cb 0.30 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 1x5o h GLU 41 CO 0.07 -0.22 1.24 1.25 -1.18 0.00 0.00 179.01 180.17 1x5o h LEU 42 N -0.34 0.00 0.09 1.64 5.85 -1.61 0.67 115.31 121.61 1x5o h LEU 42 Ca 0.13 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.48 1x5o h LEU 42 Cb 0.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1x5o h LEU 42 CO -0.56 0.00 -2.09 1.21 -0.34 0.00 0.00 178.44 176.66 1x5o n GLU 43 N -3.91 0.73 -0.06 1.25 2.13 0.12 -3.87 120.64 117.02 1x5o n GLU 43 Ca 0.37 0.24 0.12 0.00 0.66 0.00 0.00 57.16 58.54 1x5o n GLU 43 Cb 1.75 -1.67 0.51 0.00 0.27 0.00 0.00 31.44 32.30 1x5o n GLU 43 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1x5o h ASN 44 N 0.05 0.34 0.81 4.31 2.35 0.37 1.02 115.58 124.83 1x5o h ASN 44 Ca -0.45 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.16 1x5o h ASN 44 Cb 2.01 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 40.29 1x5o h ASN 44 CO 0.05 0.21 -0.69 0.00 -1.65 0.00 0.00 177.43 175.35 1x5o h MET 45 N 0.38 0.00 -0.00 0.81 -0.00 -1.22 -3.11 114.93 111.79 1x5o h MET 45 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.96 1x5o h MET 45 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1x5o h MET 45 CO -0.07 0.69 -0.68 1.28 -0.00 0.00 0.00 176.91 178.13 1x5o n LEU 46 N -3.60 1.09 0.49 -0.10 4.77 0.05 -4.38 117.00 115.31 1x5o n LEU 46 Ca -0.01 -0.40 -0.19 0.00 -0.03 0.00 0.00 56.01 55.38 1x5o n LEU 46 Cb 0.70 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1x5o n LEU 46 CO 0.43 0.24 0.49 0.11 -1.33 0.00 0.00 177.39 177.33 1x5o h LYS 47 N 0.65 -1.20 0.00 3.23 1.57 0.10 -0.39 116.57 120.52 1x5o h LYS 47 Ca 0.00 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1x5o h LYS 47 Cb 0.55 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1x5o h LYS 47 CO 0.00 -0.80 0.00 -0.35 -0.57 0.00 0.00 179.45 177.73 1x5o n PRO 48 N -5.60 0.49 -0.10 3.15 -0.04 -1.26 -2.66 135.00 128.98 1x5o n PRO 48 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 1x5o n PRO 48 Cb 0.49 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.50 1x5o n PRO 48 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x5o n PHE 49 N -0.86 0.00 0.00 0.54 3.01 -1.00 -5.10 117.46 114.05 1x5o n PHE 49 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1x5o n PHE 49 Cb 0.04 -0.81 0.00 0.00 -0.01 0.00 0.00 39.48 38.70 1x5o n PHE 49 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x5o n GLY 50 N 2.49 -0.18 3.57 1.37 0.00 -0.19 -5.00 105.19 107.25 1x5o n GLY 50 Ca -0.37 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 1x5o n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5o s GLN 51 N -2.00 2.76 -0.59 1.61 2.00 -1.26 -4.28 119.66 117.89 1x5o s GLN 51 Ca 0.00 1.43 -0.28 0.00 -2.00 0.00 0.00 55.36 54.51 1x5o s GLN 51 Cb 0.00 -4.40 0.02 0.00 0.80 0.00 0.00 33.01 29.43 1x5o s GLN 51 CO 0.00 -2.54 1.30 0.08 -0.50 0.00 0.00 175.29 173.63 1x5o s VAL 52 N 9.35 3.88 0.03 1.34 1.01 -1.26 -2.68 120.40 132.08 1x5o s VAL 52 Ca 0.89 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 1x5o s VAL 52 Cb -0.22 -4.63 -0.17 0.00 0.00 0.00 0.00 36.38 31.37 1x5o s VAL 52 CO 0.29 -1.33 1.31 0.40 0.00 0.00 0.00 175.10 175.77 1x5o h ILE 53 N 6.24 0.23 -3.34 2.22 1.08 -1.71 -3.47 117.51 118.76 1x5o h ILE 53 Ca -0.26 -0.26 -0.08 0.00 -0.39 0.00 0.00 64.86 63.87 1x5o h ILE 53 Cb 1.07 0.30 -0.15 0.00 -3.07 0.00 0.00 36.82 34.97 1x5o h ILE 53 CO 1.19 0.02 -0.19 -0.55 -0.69 0.00 0.00 178.15 177.94 1x5o s SER 54 N -4.53 -0.15 0.01 1.72 0.15 -1.22 -5.01 113.70 104.67 1x5o s SER 54 Ca -0.16 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1x5o s SER 54 Cb 0.02 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1x5o s SER 54 CO 0.52 -0.71 -0.02 0.42 1.20 0.00 0.00 173.24 174.65 1x5o s THR 55 N -3.06 0.10 0.01 6.45 -4.23 -1.26 -1.19 115.64 112.46 1x5o s THR 55 Ca -0.01 -0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 1x5o s THR 55 Cb 0.01 -0.18 -0.01 0.00 1.34 0.00 0.00 72.50 73.67 1x5o s THR 55 CO -0.07 -0.25 0.10 -0.60 -0.54 0.00 0.00 174.62 173.26 1x5o s ARG 56 N -0.78 0.47 -0.23 3.99 3.52 0.11 -4.99 118.95 121.05 1x5o s ARG 56 Ca -0.08 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1x5o s ARG 56 Cb -0.05 0.19 0.06 0.00 -1.56 0.00 0.00 34.95 33.58 1x5o s ARG 56 CO -0.00 -0.11 -0.07 0.42 -0.81 0.00 0.00 175.30 174.73 1x5o s ILE 57 N -1.61 1.63 -0.01 4.11 -1.09 -1.26 -0.06 121.20 122.90 1x5o s ILE 57 Ca -0.13 -1.22 -0.34 0.00 -2.23 0.00 0.00 60.65 56.72 1x5o s ILE 57 Cb -0.07 -1.83 -0.12 0.00 -1.58 0.00 0.00 42.46 38.85 1x5o s ILE 57 CO 0.00 -0.03 1.79 0.18 -1.23 0.00 0.00 174.94 175.65 1x5o n LEU 58 N 4.65 3.36 -4.70 2.97 4.77 -0.50 -4.87 117.00 122.68 1x5o n LEU 58 Ca -0.13 1.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.61 1x5o n LEU 58 Cb 0.44 -1.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.07 1x5o n LEU 58 CO 0.19 -0.12 -0.29 -0.13 -1.33 0.00 0.00 177.39 175.71 1x5o s ARG 59 N 3.11 2.53 0.67 3.23 0.52 -1.26 0.73 118.95 128.47 1x5o s ARG 59 Ca 0.88 -1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 54.90 1x5o s ARG 59 Cb -0.68 -2.39 0.15 0.00 0.52 0.00 0.00 34.95 32.54 1x5o s ARG 59 CO 0.47 0.44 0.91 -0.25 0.02 0.00 0.00 175.30 176.89 1x5o n ASP 60 N -0.45 0.49 0.11 0.23 8.00 0.10 -4.81 116.55 120.23 1x5o n ASP 60 Ca -0.09 -1.59 -0.13 0.00 0.71 0.00 0.00 54.79 53.69 1x5o n ASP 60 Cb 0.56 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 1x5o n ASP 60 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1x5o h SER 61 N -0.96 -1.05 -0.12 -2.24 0.02 -2.00 -1.41 113.55 105.80 1x5o h SER 61 Ca -0.30 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1x5o h SER 61 Cb 0.92 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1x5o h SER 61 CO 0.25 -0.44 0.05 -1.28 -1.14 0.00 0.00 176.83 174.28 1x5o h SER 62 N -0.58 0.19 0.00 3.07 0.87 -2.03 -3.45 113.55 111.61 1x5o h SER 62 Ca 0.03 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1x5o h SER 62 Cb 0.62 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1x5o h SER 62 CO -0.22 0.19 0.00 0.61 -0.53 0.00 0.00 176.83 176.88 1x5o n GLY 63 N -1.37 1.56 3.40 5.77 0.00 -0.53 -5.13 105.19 108.87 1x5o n GLY 63 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1x5o n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5o s THR 64 N -2.00 3.13 0.38 2.61 2.01 -1.26 -4.72 115.64 115.80 1x5o s THR 64 Ca 0.00 -0.64 -0.16 0.00 0.31 0.00 0.00 61.69 61.20 1x5o s THR 64 Cb 0.00 -2.31 -0.13 0.00 0.01 0.00 0.00 72.50 70.08 1x5o s THR 64 CO 0.00 0.53 -0.04 -0.24 -0.69 0.00 0.00 174.62 174.18 1x5o n SER 65 N 3.36 -2.79 -1.15 3.53 2.88 -1.26 0.00 113.62 118.20 1x5o n SER 65 Ca -0.18 0.59 0.01 0.00 -1.33 0.00 0.00 58.87 57.96 1x5o n SER 65 Cb 0.53 -0.71 0.23 0.00 -0.75 0.00 0.00 64.21 63.51 1x5o n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x5o n ARG 66 N 1.19 2.50 -2.24 -1.46 1.74 0.22 -4.57 116.66 114.04 1x5o n ARG 66 Ca 0.08 -3.01 -0.21 0.00 -0.77 0.00 0.00 57.85 53.94 1x5o n ARG 66 Cb 0.37 -1.88 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 1x5o n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x5o n GLY 67 N -0.77 -0.01 3.00 -0.13 0.00 -1.26 -4.91 105.19 101.12 1x5o n GLY 67 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1x5o n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5o s VAL 68 N -2.98 -0.03 -0.04 1.61 1.01 -1.26 -1.11 120.40 117.59 1x5o s VAL 68 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1x5o s VAL 68 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1x5o s VAL 68 CO 0.00 0.05 -0.13 -0.83 0.00 0.00 0.00 175.10 174.19 1x5o s GLY 69 N 0.95 0.75 -0.23 4.51 0.00 0.04 -1.41 107.32 111.93 1x5o s GLY 69 Ca -0.07 -0.51 -0.06 0.00 0.00 0.00 0.00 44.72 44.08 1x5o s GLY 69 CO -0.05 -0.17 0.02 -1.36 0.00 0.00 0.00 173.10 171.53 1x5o s PHE 70 N 0.20 3.03 0.08 1.90 0.08 0.91 -3.18 117.98 121.01 1x5o s PHE 70 Ca -0.05 -0.61 0.07 0.00 0.12 0.00 0.00 56.93 56.46 1x5o s PHE 70 Cb -0.11 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 1x5o s PHE 70 CO 0.02 -0.40 -0.20 0.00 -0.10 0.00 0.00 175.22 174.54 1x5o s ALA 71 N 1.44 1.68 -0.31 5.36 0.00 -1.25 0.08 121.76 128.77 1x5o s ALA 71 Ca 0.05 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1x5o s ALA 71 Cb -0.15 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1x5o s ALA 71 CO 0.01 0.34 0.03 0.50 0.00 0.00 0.00 175.76 176.64 1x5o s ARG 72 N -1.69 2.60 0.48 0.00 3.52 -0.33 -1.99 118.95 121.53 1x5o s ARG 72 Ca 0.05 -1.17 -0.19 0.00 -0.13 0.00 0.00 55.73 54.30 1x5o s ARG 72 Cb -0.10 -3.26 -0.09 0.00 -1.56 0.00 0.00 34.95 29.94 1x5o s ARG 72 CO 0.03 -0.59 0.97 -1.64 -0.81 0.00 0.00 175.30 173.26 1x5o s MET 73 N 1.33 4.06 0.51 5.12 -1.94 -0.63 -1.93 119.30 125.82 1x5o s MET 73 Ca -0.03 1.05 0.35 0.00 -1.71 0.00 0.00 55.69 55.35 1x5o s MET 73 Cb -0.19 -2.15 1.50 0.00 2.01 0.00 0.00 34.83 35.99 1x5o s MET 73 CO 0.00 -0.18 1.74 1.05 -0.01 0.00 0.00 175.02 177.62 1x5o h GLU 74 N 1.37 0.07 0.00 2.03 4.11 -1.84 -3.44 114.58 116.88 1x5o h GLU 74 Ca -0.48 -0.00 0.16 0.00 0.07 0.00 0.00 59.36 59.11 1x5o h GLU 74 Cb 1.18 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1x5o h GLU 74 CO 0.61 0.05 0.53 0.45 0.07 0.00 0.00 179.01 180.72 1x5o n SER 75 N -4.27 -1.36 -0.07 3.06 2.88 -1.26 -5.05 113.62 107.55 1x5o n SER 75 Ca 0.30 -1.66 -0.15 0.00 -1.33 0.00 0.00 58.87 56.04 1x5o n SER 75 Cb 1.34 2.20 -0.06 0.00 -0.75 0.00 0.00 64.21 66.94 1x5o n SER 75 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1x5o h THR 76 N 1.82 1.31 -1.13 2.46 2.02 -1.89 -3.08 112.91 114.41 1x5o h THR 76 Ca -0.22 -1.63 0.43 0.00 0.77 0.00 0.00 66.41 65.76 1x5o h THR 76 Cb 0.99 1.79 -0.16 0.00 -1.74 0.00 0.00 68.15 69.02 1x5o h THR 76 CO 0.29 0.51 0.66 -0.08 0.37 0.00 0.00 175.52 177.28 1x5o h GLU 77 N 0.39 0.03 0.14 6.66 4.57 -1.99 0.57 114.58 124.95 1x5o h GLU 77 Ca 0.01 -0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.00 1x5o h GLU 77 Cb 1.02 -0.01 0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1x5o h GLU 77 CO 0.09 0.02 -0.84 0.87 -1.18 0.00 0.00 179.01 177.97 1x5o h LYS 78 N 0.03 0.33 -0.76 1.92 1.79 -1.95 -3.35 116.57 114.57 1x5o h LYS 78 Ca 0.85 -0.54 0.13 0.00 -2.18 0.00 0.00 60.65 58.92 1x5o h LYS 78 Cb 2.41 0.20 -0.14 0.00 -1.58 0.00 0.00 32.23 33.11 1x5o h LYS 78 CO -0.65 1.25 -0.32 0.00 -1.08 0.00 0.00 179.45 178.65 1x5o h GLU 80 N -0.07 -0.26 -0.59 0.00 5.08 -1.53 -0.39 114.58 116.83 1x5o h GLU 80 Ca 0.31 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.80 1x5o h GLU 80 Cb 0.58 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.77 1x5o h GLU 80 CO -0.81 -0.17 -0.14 0.00 -1.00 0.00 0.00 179.01 176.89 1x5o h ALA 81 N 0.59 0.40 -0.43 3.43 0.00 -1.21 -0.32 119.26 121.72 1x5o h ALA 81 Ca 0.17 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1x5o h ALA 81 Cb 0.57 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1x5o h ALA 81 CO -0.62 -0.43 0.00 0.28 0.00 0.00 0.00 179.25 178.48 1x5o n VAL 82 N -5.40 0.00 -0.38 0.00 0.31 -0.26 -1.19 118.33 111.40 1x5o n VAL 82 Ca 0.07 1.43 -0.06 0.00 -0.01 0.00 0.00 64.34 65.76 1x5o n VAL 82 Cb 0.31 -2.33 -0.03 0.00 -0.91 0.00 0.00 33.84 30.88 1x5o n VAL 82 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1x5o h ILE 83 N 0.00 0.01 -0.78 2.52 2.04 -1.11 1.56 117.51 121.75 1x5o h ILE 83 Ca 0.00 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.06 1x5o h ILE 83 Cb 0.00 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.04 1x5o h ILE 83 CO 0.00 0.00 0.54 1.23 0.00 0.00 0.00 178.15 179.92 1x5o h GLY 84 N -0.02 0.37 0.00 5.37 0.00 -1.02 0.24 103.07 108.00 1x5o h GLY 84 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1x5o h GLY 84 CO -0.94 0.01 0.00 1.42 0.00 0.00 0.00 176.54 177.03 1x5o n HIS 85 N -4.40 0.00 -0.35 5.60 8.25 0.35 -4.50 115.22 120.17 1x5o n HIS 85 Ca 0.16 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.73 1x5o n HIS 85 Cb 0.72 -0.17 0.24 0.00 1.12 0.00 0.00 29.99 31.90 1x5o n HIS 85 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1x5o n PHE 86 N -2.23 0.53 -1.52 4.41 3.01 0.45 -4.16 117.46 117.95 1x5o n PHE 86 Ca 0.00 1.20 -0.33 0.00 1.01 0.00 0.00 57.45 59.33 1x5o n PHE 86 Cb 0.00 -1.18 -0.13 0.00 -0.01 0.00 0.00 39.48 38.15 1x5o n PHE 86 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1x5o n ASN 87 N -5.53 0.50 0.00 4.37 2.85 0.07 0.14 115.26 117.67 1x5o n ASN 87 Ca 0.21 -0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1x5o n ASN 87 Cb 0.67 -1.06 0.00 0.00 1.24 0.00 0.00 39.78 40.63 1x5o n ASN 87 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5o n GLY 88 N 6.21 1.28 3.48 8.20 0.00 -1.12 -4.96 105.19 118.27 1x5o n GLY 88 Ca 0.58 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1x5o n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5o s LYS 89 N -1.71 2.02 -0.33 1.61 2.47 0.38 -4.88 119.74 119.29 1x5o s LYS 89 Ca 0.00 -1.03 -0.04 0.00 -1.56 0.00 0.00 55.97 53.35 1x5o s LYS 89 Cb 0.00 -2.19 0.06 0.00 -1.46 0.00 0.00 37.83 34.23 1x5o s LYS 89 CO 0.00 0.52 0.07 -0.06 0.16 0.00 0.00 175.35 176.05 1x5o s PHE 90 N -1.01 3.31 0.69 4.03 0.40 -1.26 -1.74 117.98 122.40 1x5o s PHE 90 Ca 0.16 -1.80 -0.11 0.00 -0.60 0.00 0.00 56.93 54.58 1x5o s PHE 90 Cb -0.11 -2.36 0.00 0.00 0.51 0.00 0.00 43.02 41.07 1x5o s PHE 90 CO 0.07 -0.81 1.07 0.96 0.70 0.00 0.00 175.22 177.22 1x5o s ILE 91 N 1.29 3.87 0.64 0.64 -4.36 -1.26 -5.09 121.20 116.94 1x5o s ILE 91 Ca -0.02 0.61 0.07 0.00 -0.26 0.00 0.00 60.65 61.05 1x5o s ILE 91 Cb -0.20 -3.57 0.11 0.00 1.25 0.00 0.00 42.46 40.05 1x5o s ILE 91 CO -0.00 -0.80 0.88 -0.54 0.24 0.00 0.00 174.94 174.73 1x5o s LYS 92 N -5.27 2.02 0.13 0.37 1.02 -1.26 -4.76 119.74 112.00 1x5o s LYS 92 Ca 0.57 -1.54 0.05 0.00 0.02 0.00 0.00 55.97 55.06 1x5o s LYS 92 Cb -0.11 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1x5o s LYS 92 CO 0.53 -1.13 -0.11 0.95 -0.92 0.00 0.00 175.35 174.67 1x5o s THR 93 N -2.86 1.15 1.00 2.17 -4.23 -1.26 -5.01 115.64 106.61 1x5o s THR 93 Ca 0.64 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 59.10 1x5o s THR 93 Cb -0.05 -1.70 0.19 0.00 1.34 0.00 0.00 72.50 72.28 1x5o s THR 93 CO 0.41 -0.66 1.09 -2.16 -0.54 0.00 0.00 174.62 172.77 1x5o s PRO 94 N -3.40 0.41 -0.64 3.99 0.04 -1.26 -4.91 135.00 129.22 1x5o s PRO 94 Ca 0.13 0.52 -0.26 0.00 0.04 0.00 0.00 61.00 61.43 1x5o s PRO 94 Cb 0.00 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 1x5o s PRO 94 CO 0.01 -2.75 1.88 -1.25 0.04 0.00 0.00 177.00 174.93 1x5o s PRO 95 N -4.96 2.61 0.00 0.56 0.04 -1.26 -2.56 135.00 129.43 1x5o s PRO 95 Ca 0.65 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1x5o s PRO 95 Cb -0.19 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1x5o s PRO 95 CO 0.58 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 175.21 1x5o n GLY 96 N 5.83 0.10 3.29 0.56 0.00 -1.26 -5.14 105.19 108.57 1x5o n GLY 96 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 1x5o n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5o s VAL 97 N -0.95 1.56 -0.22 1.61 1.01 -1.06 -5.13 120.40 117.22 1x5o s VAL 97 Ca 0.00 -1.85 -0.19 0.00 0.00 0.00 0.00 61.98 59.94 1x5o s VAL 97 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1x5o s VAL 97 CO 0.00 -0.40 0.55 -0.44 0.00 0.00 0.00 175.10 174.80 1x5o s SER 98 N -2.63 6.55 0.37 3.32 0.01 -1.26 -4.81 113.70 115.24 1x5o s SER 98 Ca 0.13 0.66 -0.27 0.00 1.31 0.00 0.00 55.95 57.78 1x5o s SER 98 Cb -0.05 -2.30 -0.09 0.00 0.21 0.00 0.00 66.02 63.79 1x5o s SER 98 CO 0.05 -0.24 1.29 0.00 0.41 0.00 0.00 173.24 174.75 1x5o s ALA 99 N 1.93 3.37 0.73 1.44 0.00 -1.26 -4.91 121.76 123.06 1x5o s ALA 99 Ca 0.24 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.30 1x5o s ALA 99 Cb -0.16 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1x5o s ALA 99 CO 0.09 -0.70 1.10 -1.25 0.00 0.00 0.00 175.76 175.01 1x5o s PRO 100 N -2.01 2.46 -0.16 0.00 0.04 -1.26 -4.99 135.00 129.08 1x5o s PRO 100 Ca 0.53 1.26 0.18 0.00 0.04 0.00 0.00 61.00 63.00 1x5o s PRO 100 Cb -0.38 -1.92 -0.25 0.00 0.04 0.00 0.00 34.50 31.99 1x5o s PRO 100 CO 0.50 -1.49 0.14 0.25 0.04 0.00 0.00 177.00 176.43 1x5o n THR 101 N -3.10 1.08 -3.23 1.26 -2.24 -1.26 -4.97 114.28 101.82 1x5o n THR 101 Ca 0.10 -0.76 -0.31 0.00 -2.27 0.00 0.00 64.05 60.81 1x5o n THR 101 Cb 0.53 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1x5o n THR 101 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x5o s GLU 102 N -2.65 3.77 0.00 -0.78 2.02 -1.26 -5.09 118.70 114.71 1x5o s GLU 102 Ca -0.09 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.19 1x5o s GLU 102 Cb 0.07 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1x5o s GLU 102 CO 0.81 0.19 0.00 -0.35 0.02 0.00 0.00 175.26 175.92 1x5o n PRO 103 N -0.66 -0.85 -3.87 0.39 -0.04 -1.26 -4.93 135.00 123.78 1x5o n PRO 103 Ca 0.01 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.11 1x5o n PRO 103 Cb 0.53 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.86 1x5o n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x5o s LEU 104 N 0.00 3.23 -0.38 1.53 1.43 -0.71 -4.69 118.68 119.09 1x5o s LEU 104 Ca 0.00 -0.57 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 1x5o s LEU 104 Cb 0.00 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1x5o s LEU 104 CO 0.00 -0.09 0.70 -0.22 0.23 0.00 0.00 176.35 176.97 1x5o s LEU 105 N 1.46 4.25 -0.09 1.79 2.96 -1.12 -2.81 118.68 125.12 1x5o s LEU 105 Ca 0.04 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1x5o s LEU 105 Cb -0.16 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 1x5o s LEU 105 CO -0.02 -0.71 -0.14 0.00 -1.32 0.00 0.00 176.35 174.17 1x5o s LYS 107 N -0.12 0.75 -0.38 0.00 -2.85 -0.38 -4.85 119.74 111.91 1x5o s LYS 107 Ca -0.01 1.07 -0.43 0.00 -1.00 0.00 0.00 55.97 55.59 1x5o s LYS 107 Cb -0.14 0.27 -0.18 0.00 -2.06 0.00 0.00 37.83 35.73 1x5o s LYS 107 CO 0.03 -0.12 1.69 1.19 0.10 0.00 0.00 175.35 178.24 1x5o n PHE 108 N 3.41 1.93 -2.53 1.78 3.72 -1.26 -0.53 117.46 123.97 1x5o n PHE 108 Ca -0.17 0.81 -0.29 0.00 -0.05 0.00 0.00 57.45 57.75 1x5o n PHE 108 Cb 0.57 -2.36 -0.01 0.00 -0.94 0.00 0.00 39.48 36.74 1x5o n PHE 108 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1x5o s SER 109 N 3.34 6.33 0.42 4.37 1.04 -1.17 -4.73 113.70 123.29 1x5o s SER 109 Ca 1.01 1.09 0.04 0.00 0.48 0.00 0.00 55.95 58.57 1x5o s SER 109 Cb -1.26 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 62.55 1x5o s SER 109 CO 0.73 -0.59 0.59 -0.83 0.98 0.00 0.00 173.24 174.12 1x5o s GLY 110 N -3.88 1.70 -0.11 7.32 0.00 -1.26 -4.71 107.32 106.38 1x5o s GLY 110 Ca 0.50 -1.38 -0.29 0.00 0.00 0.00 0.00 44.72 43.55 1x5o s GLY 110 CO 0.43 -1.22 1.54 2.56 0.00 0.00 0.00 173.10 176.41 1x5o s PRO 111 N -4.41 4.13 -0.08 2.90 0.04 -1.26 -4.92 135.00 131.40 1x5o s PRO 111 Ca 0.50 1.95 -0.07 0.00 0.04 0.00 0.00 61.00 63.43 1x5o s PRO 111 Cb -0.10 -3.93 -0.02 0.00 0.04 0.00 0.00 34.50 30.49 1x5o s PRO 111 CO 0.34 -0.88 -0.13 0.43 0.04 0.00 0.00 177.00 176.81 1x5o n SER 112 N 7.21 0.93 0.00 6.66 7.64 -1.26 -4.95 113.62 129.85 1x5o n SER 112 Ca 0.17 0.32 -0.03 0.00 1.01 0.00 0.00 58.87 60.33 1x5o n SER 112 Cb 0.44 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 1x5o n SER 112 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5o n SER 113 N -3.45 1.14 0.00 6.43 7.64 -1.26 -5.23 113.62 118.88 1x5o n SER 113 Ca -0.05 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1x5o n SER 113 Cb 0.19 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1x5o n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64