#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5o h SER 2 N 0.00 -0.19 -0.74 1.61 0.87 -1.99 -3.47 113.55 109.64 1x5o h SER 2 Ca 0.00 0.01 -0.55 0.00 -1.23 0.00 0.00 61.79 60.02 1x5o h SER 2 Cb 0.00 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1x5o h SER 2 CO 0.00 0.24 -0.26 -0.94 -0.53 0.00 0.00 176.83 175.33 1x5o s SER 3 N -5.04 4.79 0.33 6.23 1.04 -1.26 -5.06 113.70 114.72 1x5o s SER 3 Ca -0.03 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.26 1x5o s SER 3 Cb 0.00 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1x5o s SER 3 CO 0.10 -1.10 0.50 0.61 0.98 0.00 0.00 173.24 174.33 1x5o n GLY 4 N -1.85 1.95 3.90 7.32 0.00 -1.26 -4.95 105.19 110.30 1x5o n GLY 4 Ca 0.03 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 1x5o n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5o s SER 5 N -2.94 6.49 -0.22 1.61 0.15 -1.26 -5.09 113.70 112.44 1x5o s SER 5 Ca 0.24 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1x5o s SER 5 Cb -0.02 -2.08 0.05 0.00 -1.71 0.00 0.00 66.02 62.27 1x5o s SER 5 CO 0.17 0.11 -0.06 -0.44 1.20 0.00 0.00 173.24 174.22 1x5o s SER 6 N -2.27 3.61 0.00 5.45 0.01 -1.26 -5.03 113.70 114.21 1x5o s SER 6 Ca 0.37 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1x5o s SER 6 Cb -0.13 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 64.97 1x5o s SER 6 CO 0.23 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1x5o n GLY 7 N 4.71 -1.64 0.18 3.44 0.00 -1.26 -5.01 105.19 105.61 1x5o n GLY 7 Ca -0.12 0.99 0.13 0.00 0.00 0.00 0.00 46.02 47.01 1x5o n GLY 7 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1x5o h LEU 8 N 0.00 0.00 -9.54 0.99 8.10 -1.95 -3.45 115.31 109.45 1x5o h LEU 8 Ca 0.00 0.00 -0.53 0.00 0.11 0.00 0.00 57.88 57.46 1x5o h LEU 8 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1x5o h LEU 8 CO 0.00 0.00 0.26 -0.54 -4.11 0.00 0.00 178.44 174.05 1x5o s LYS 9 N -3.19 4.59 -0.17 0.17 1.02 -1.26 -5.05 119.74 115.85 1x5o s LYS 9 Ca 0.08 1.25 -0.07 0.00 0.02 0.00 0.00 55.97 57.25 1x5o s LYS 9 Cb 0.08 -3.37 0.07 0.00 -0.52 0.00 0.00 37.83 34.09 1x5o s LYS 9 CO 0.64 0.24 0.38 0.00 -0.92 0.00 0.00 175.35 175.68 1x5o s ALA 10 N 0.01 -0.98 -0.10 5.17 0.00 -1.26 -5.14 121.76 119.46 1x5o s ALA 10 Ca 0.43 1.37 -0.03 0.00 0.00 0.00 0.00 51.96 53.72 1x5o s ALA 10 Cb -0.22 -1.12 0.05 0.00 0.00 0.00 0.00 23.12 21.83 1x5o s ALA 10 CO 0.26 -0.57 0.12 0.45 0.00 0.00 0.00 175.76 176.02 1x5o s SER 11 N 2.18 1.24 0.00 0.00 0.15 -1.26 -5.10 113.70 110.92 1x5o s SER 11 Ca -0.04 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1x5o s SER 11 Cb -0.11 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1x5o s SER 11 CO -0.12 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x5o n GLY 12 N 5.31 -0.34 3.77 9.45 0.00 -1.26 -5.15 105.19 116.96 1x5o n GLY 12 Ca -0.05 0.79 -0.39 0.00 0.00 0.00 0.00 46.02 46.38 1x5o n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5o s VAL 13 N 0.00 3.74 -0.09 1.61 0.11 -1.26 -4.98 120.40 119.53 1x5o s VAL 13 Ca 0.00 1.56 -0.08 0.00 -2.93 0.00 0.00 61.98 60.53 1x5o s VAL 13 Cb 0.00 -3.92 -0.05 0.00 -1.53 0.00 0.00 36.38 30.88 1x5o s VAL 13 CO 0.00 0.23 -0.18 0.00 -3.33 0.00 0.00 175.10 171.82 1x5o n GLN 14 N 0.72 0.28 -3.90 1.54 1.13 -1.26 -5.08 117.38 110.80 1x5o n GLN 14 Ca 0.01 0.12 -0.10 0.00 -1.94 0.00 0.00 57.00 55.09 1x5o n GLN 14 Cb 0.47 -0.98 -0.10 0.00 0.11 0.00 0.00 30.24 29.75 1x5o n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x5o s ALA 15 N -2.35 -0.19 -0.05 -1.58 0.00 -1.26 -5.16 121.76 111.16 1x5o s ALA 15 Ca -0.17 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.48 1x5o s ALA 15 Cb 0.05 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1x5o s ALA 15 CO 0.23 -0.26 -0.14 -0.65 0.00 0.00 0.00 175.76 174.94 1x5o s GLN 16 N -1.95 1.68 0.60 0.00 -0.21 -1.26 -5.14 119.66 113.37 1x5o s GLN 16 Ca -0.10 -0.48 -0.10 0.00 0.02 0.00 0.00 55.36 54.70 1x5o s GLN 16 Cb -0.05 -1.42 -0.03 0.00 1.00 0.00 0.00 33.01 32.52 1x5o s GLN 16 CO -0.01 0.11 0.98 -1.64 -2.12 0.00 0.00 175.29 172.61 1x5o s MET 17 N 0.38 3.48 0.01 2.91 -1.94 -1.26 -5.00 119.30 117.88 1x5o s MET 17 Ca -0.10 0.57 -0.02 0.00 -1.71 0.00 0.00 55.69 54.44 1x5o s MET 17 Cb -0.13 -2.14 -0.01 0.00 2.01 0.00 0.00 34.83 34.56 1x5o s MET 17 CO 0.03 -0.55 1.04 0.00 -0.01 0.00 0.00 175.02 175.52 1x5o h ALA 18 N -0.24 -0.21 -2.97 3.03 0.00 -2.08 -3.41 119.26 113.38 1x5o h ALA 18 Ca -0.45 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 1x5o h ALA 18 Cb 1.20 0.85 -0.36 0.00 0.00 0.00 0.00 17.79 19.48 1x5o h ALA 18 CO 0.62 -0.24 -0.64 0.21 0.00 0.00 0.00 179.25 179.21 1x5o s LYS 19 N -3.17 0.07 0.10 0.00 2.20 -1.26 -5.15 119.74 112.52 1x5o s LYS 19 Ca -0.01 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 1x5o s LYS 19 Cb 0.01 -0.55 -0.04 0.00 -1.51 0.00 0.00 37.83 35.74 1x5o s LYS 19 CO 0.04 -0.40 0.23 -0.65 -0.36 0.00 0.00 175.35 174.22 1x5o s GLN 20 N 2.30 3.42 0.86 4.03 1.11 -1.26 -5.09 119.66 125.02 1x5o s GLN 20 Ca 0.04 -0.51 -0.11 0.00 0.01 0.00 0.00 55.36 54.79 1x5o s GLN 20 Cb -0.13 -3.00 0.11 0.00 -1.01 0.00 0.00 33.01 28.98 1x5o s GLN 20 CO -0.07 0.57 1.10 -1.14 0.01 0.00 0.00 175.29 175.76 1x5o s GLN 21 N -2.79 1.51 0.00 2.91 0.74 -1.26 -4.90 119.66 115.88 1x5o s GLN 21 Ca 0.35 1.14 0.09 0.00 0.05 0.00 0.00 55.36 56.98 1x5o s GLN 21 Cb -0.12 -1.81 0.52 0.00 1.10 0.00 0.00 33.01 32.70 1x5o s GLN 21 CO 0.28 -2.15 1.30 -1.91 -0.55 0.00 0.00 175.29 172.26 1x5o n GLU 22 N -3.87 0.96 -3.52 1.67 4.07 -1.26 -4.58 120.64 114.10 1x5o n GLU 22 Ca 0.09 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.05 1x5o n GLU 22 Cb 0.53 -1.14 -0.11 0.00 -0.06 0.00 0.00 31.44 30.66 1x5o n GLU 22 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1x5o s GLN 23 N -2.00 0.23 -0.53 5.31 -1.52 -1.26 -4.80 119.66 115.08 1x5o s GLN 23 Ca 0.13 0.54 0.07 0.00 -1.95 0.00 0.00 55.36 54.15 1x5o s GLN 23 Cb 0.06 -0.50 0.31 0.00 -0.22 0.00 0.00 33.01 32.66 1x5o s GLN 23 CO 0.10 -0.50 0.82 -3.47 -0.25 0.00 0.00 175.29 171.99 1x5o n ASP 24 N 5.35 3.18 0.00 5.90 2.03 -1.26 -4.88 116.55 126.87 1x5o n ASP 24 Ca -0.05 -3.40 0.07 0.00 0.52 0.00 0.00 54.79 51.93 1x5o n ASP 24 Cb 0.50 -0.61 0.36 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.28 0.18 0.19 -0.67 -0.04 -1.26 -2.53 135.00 131.15 1x5o n PRO 25 Ca 0.29 0.16 0.06 0.00 -0.04 0.00 0.00 63.50 63.97 1x5o n PRO 25 Cb 0.46 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.73 -3.28 0.52 1.35 -1.88 -3.43 112.91 106.91 1x5o h THR 26 Ca 0.00 -1.56 -0.59 0.00 -0.55 0.00 0.00 66.41 63.71 1x5o h THR 26 Cb 0.15 2.02 -0.08 0.00 -1.73 0.00 0.00 68.15 68.51 1x5o h THR 26 CO 0.00 0.34 0.45 0.21 -0.25 0.00 0.00 175.52 176.27 1x5o s ASN 27 N -6.34 6.89 -0.15 5.36 3.84 -1.05 -2.28 114.94 121.21 1x5o s ASN 27 Ca 0.02 1.10 -0.06 0.00 0.21 0.00 0.00 52.86 54.13 1x5o s ASN 27 Cb 0.09 -2.45 -0.04 0.00 -0.55 0.00 0.00 41.25 38.31 1x5o s ASN 27 CO 0.68 -0.47 0.06 -0.76 -2.79 0.00 0.00 177.10 173.82 1x5o s LEU 28 N 2.56 3.87 -0.55 3.21 1.43 -0.72 -2.65 118.68 125.83 1x5o s LEU 28 Ca 0.37 0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 53.42 1x5o s LEU 28 Cb -0.16 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.17 1x5o s LEU 28 CO 0.09 0.27 0.80 -0.47 0.23 0.00 0.00 176.35 177.27 1x5o s TYR 29 N -0.21 2.90 -0.20 0.29 6.14 -0.02 -3.65 117.35 122.59 1x5o s TYR 29 Ca 0.08 -0.40 -0.03 0.00 0.64 0.00 0.00 57.07 57.36 1x5o s TYR 29 Cb -0.12 -3.89 -0.01 0.00 0.42 0.00 0.00 41.96 38.37 1x5o s TYR 29 CO 0.01 -1.26 -0.07 0.42 0.64 0.00 0.00 175.55 175.29 1x5o s ILE 30 N 3.32 3.21 0.33 3.14 1.01 -1.10 -1.54 121.20 129.57 1x5o s ILE 30 Ca 0.21 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1x5o s ILE 30 Cb -0.17 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1x5o s ILE 30 CO 0.14 0.45 0.05 -1.20 0.00 0.00 0.00 174.94 174.38 1x5o n SER 31 N 4.55 2.07 -3.04 3.58 7.64 -0.72 -0.29 113.62 127.40 1x5o n SER 31 Ca -0.18 -2.56 -0.16 0.00 1.01 0.00 0.00 58.87 56.97 1x5o n SER 31 Cb 0.51 0.50 0.07 0.00 -1.01 0.00 0.00 64.21 64.28 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 -1.45 -3.15 -4.72 6.43 4.13 0.47 -3.07 115.26 113.90 1x5o n ASN 32 Ca -0.10 -0.50 -0.28 0.00 1.68 0.00 0.00 54.58 55.39 1x5o n ASN 32 Cb 0.45 -4.33 -0.07 0.00 -1.54 0.00 0.00 39.78 34.29 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 -5.82 3.55 0.23 3.41 1.43 -0.73 -4.62 118.68 116.13 1x5o s LEU 33 Ca 0.15 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.74 1x5o s LEU 33 Cb -0.07 -2.22 -0.09 0.00 0.03 0.00 0.00 46.19 43.85 1x5o s LEU 33 CO 0.61 0.12 1.28 -2.16 0.23 0.00 0.00 176.35 176.43 1x5o s PRO 34 N -2.72 4.41 0.63 1.29 0.04 -1.26 -4.04 135.00 133.34 1x5o s PRO 34 Ca 0.28 2.05 0.34 0.00 0.04 0.00 0.00 61.00 63.71 1x5o s PRO 34 Cb -0.11 -3.17 1.92 0.00 0.04 0.00 0.00 34.50 33.18 1x5o s PRO 34 CO 0.20 -0.18 2.17 -0.07 0.04 0.00 0.00 177.00 179.16 1x5o h LEU 35 N 4.82 0.00 -1.11 -3.56 3.38 -1.89 0.22 115.31 117.17 1x5o h LEU 35 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 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 0.74 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 178.07 1x5o n SER 36 N -3.43 1.54 -4.79 -0.43 7.64 -1.26 -4.48 113.62 108.40 1x5o n SER 36 Ca -0.01 -2.10 -0.36 0.00 1.01 0.00 0.00 58.87 57.41 1x5o n SER 36 Cb 0.22 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 1x5o n SER 36 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1x5o s MET 37 N -1.63 4.49 0.14 1.43 0.00 0.78 -4.98 119.30 119.54 1x5o s MET 37 Ca 0.14 1.24 0.06 0.00 0.00 0.00 0.00 55.69 57.12 1x5o s MET 37 Cb 0.08 -2.72 -0.04 0.00 0.00 0.00 0.00 34.83 32.15 1x5o s MET 37 CO 0.07 0.25 -0.13 0.16 0.00 0.00 0.00 175.02 175.38 1x5o s ASP 38 N -1.70 1.99 0.64 1.11 -4.77 -1.26 -4.96 116.67 107.71 1x5o s ASP 38 Ca 0.51 -0.91 0.18 0.00 -3.30 0.00 0.00 52.55 49.03 1x5o s ASP 38 Cb -0.17 -0.05 0.83 0.00 -1.09 0.00 0.00 42.92 42.43 1x5o s ASP 38 CO 0.22 -0.22 1.41 -0.33 0.70 0.00 0.00 175.17 176.95 1x5o h GLU 39 N 3.12 0.00 0.17 2.11 5.08 -1.95 -0.93 114.58 122.19 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 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1x5o h GLU 39 CO 0.57 0.00 -0.08 0.37 -1.00 0.00 0.00 179.01 178.87 1x5o h GLN 40 N 0.00 -0.22 -0.56 2.33 5.75 -1.97 -3.07 115.11 117.36 1x5o h GLN 40 Ca 0.17 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.80 1x5o h GLN 40 Cb 1.87 0.05 -0.11 0.00 1.07 0.00 0.00 27.48 30.36 1x5o h GLN 40 CO -0.00 -0.15 -0.24 1.49 -2.65 0.00 0.00 178.83 177.28 1x5o h GLU 41 N -0.42 -0.10 -0.96 1.69 4.57 -1.58 0.65 114.58 118.42 1x5o h GLU 41 Ca -0.02 0.01 0.28 0.00 -1.18 0.00 0.00 59.36 58.44 1x5o h GLU 41 Cb 0.18 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 1x5o h GLU 41 CO 0.04 -0.07 0.75 1.25 -1.18 0.00 0.00 179.01 179.80 1x5o h LEU 42 N -0.10 0.00 0.04 1.64 5.85 -1.59 0.23 115.31 121.38 1x5o h LEU 42 Ca 0.25 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.64 1x5o h LEU 42 Cb 0.50 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1x5o h LEU 42 CO -0.63 0.00 -1.96 1.21 -0.34 0.00 0.00 178.44 176.72 1x5o n GLU 43 N -4.07 0.68 0.26 1.25 2.13 0.18 -3.78 120.64 117.29 1x5o n GLU 43 Ca 0.20 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.37 1x5o n GLU 43 Cb 1.08 -1.71 0.70 0.00 0.27 0.00 0.00 31.44 31.78 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 0.02 0.00 1.21 4.31 2.35 0.29 0.81 115.58 124.58 1x5o h ASN 44 Ca -0.39 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.23 1x5o h ASN 44 Cb 2.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.39 1x5o h ASN 44 CO 0.06 0.12 -0.82 0.00 -1.65 0.00 0.00 177.43 175.14 1x5o h MET 45 N 0.00 0.00 0.00 0.81 -0.00 -1.19 -3.30 114.93 111.25 1x5o h MET 45 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1x5o h MET 45 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1x5o h MET 45 CO 0.02 0.48 -1.42 1.28 -0.00 0.00 0.00 176.91 177.27 1x5o n LEU 46 N -3.14 0.52 0.35 -0.10 4.77 -0.71 -4.40 117.00 114.29 1x5o n LEU 46 Ca -0.02 -0.21 -0.19 0.00 -0.03 0.00 0.00 56.01 55.57 1x5o n LEU 46 Cb 0.79 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.76 1x5o n LEU 46 CO 0.42 0.11 0.53 0.11 -1.33 0.00 0.00 177.39 177.23 1x5o h LYS 47 N 0.00 -1.03 0.00 3.23 1.57 0.53 0.13 116.57 121.00 1x5o h LYS 47 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1x5o h LYS 47 Cb 0.75 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1x5o h LYS 47 CO 0.00 -0.69 0.00 -0.35 -0.57 0.00 0.00 179.45 177.84 1x5o n PRO 48 N -5.50 0.49 -0.11 3.15 -0.04 -1.26 -2.69 135.00 129.05 1x5o n PRO 48 Ca -0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 1x5o n PRO 48 Cb 0.47 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.80 0.54 3.01 -0.61 -5.10 117.46 110.63 1x5o n PHE 49 Ca 0.08 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.58 1x5o n PHE 49 Cb 0.04 -0.81 0.00 0.00 -0.01 0.00 0.00 39.48 38.71 1x5o n PHE 49 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1x5o s GLY 50 N -6.00 -0.33 -0.24 1.37 0.00 0.36 -4.98 107.32 97.50 1x5o s GLY 50 Ca -0.28 0.50 -0.28 0.00 0.00 0.00 0.00 44.72 44.66 1x5o s GLY 50 CO 0.48 3.38 2.12 1.62 0.00 0.00 0.00 173.10 180.70 1x5o s GLN 51 N -2.07 3.19 -0.42 2.90 0.74 -1.26 -4.28 119.66 118.47 1x5o s GLN 51 Ca 0.23 1.90 -0.26 0.00 0.05 0.00 0.00 55.36 57.28 1x5o s GLN 51 Cb 0.03 -4.33 0.02 0.00 1.10 0.00 0.00 33.01 29.84 1x5o s GLN 51 CO -0.04 -2.04 0.93 0.08 -0.55 0.00 0.00 175.29 173.67 1x5o s VAL 52 N 7.94 4.52 -0.07 1.34 1.01 -1.26 -2.38 120.40 131.49 1x5o s VAL 52 Ca 0.96 0.98 -0.10 0.00 0.00 0.00 0.00 61.98 63.81 1x5o s VAL 52 Cb -0.31 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 31.62 1x5o s VAL 52 CO 0.35 -0.70 0.38 0.40 0.00 0.00 0.00 175.10 175.53 1x5o h ILE 53 N 5.96 0.24 -3.64 2.22 1.08 -1.75 -3.49 117.51 118.13 1x5o h ILE 53 Ca -0.24 -0.97 -0.09 0.00 -0.39 0.00 0.00 64.86 63.17 1x5o h ILE 53 Cb 1.08 0.42 -0.15 0.00 -3.07 0.00 0.00 36.82 35.10 1x5o h ILE 53 CO 1.01 0.07 -0.34 -0.44 -0.69 0.00 0.00 178.15 177.76 1x5o s SER 54 N -5.37 0.04 -0.06 1.72 0.01 -1.25 -5.02 113.70 103.78 1x5o s SER 54 Ca -0.06 -0.48 -0.06 0.00 1.31 0.00 0.00 55.95 56.66 1x5o s SER 54 Cb 0.00 0.33 0.02 0.00 0.21 0.00 0.00 66.02 66.58 1x5o s SER 54 CO 0.19 -0.67 0.17 0.42 0.41 0.00 0.00 173.24 173.76 1x5o s THR 55 N -3.27 0.01 0.04 1.44 -4.23 -1.26 -1.89 115.64 106.47 1x5o s THR 55 Ca 0.00 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.38 1x5o s THR 55 Cb 0.02 -0.26 -0.00 0.00 1.34 0.00 0.00 72.50 73.60 1x5o s THR 55 CO -0.08 -0.03 0.15 -0.60 -0.54 0.00 0.00 174.62 173.52 1x5o s ARG 56 N -0.04 0.64 -0.20 3.99 3.52 -0.39 -4.95 118.95 121.53 1x5o s ARG 56 Ca -0.01 -0.68 -0.00 0.00 -0.13 0.00 0.00 55.73 54.91 1x5o s ARG 56 Cb -0.02 0.26 0.05 0.00 -1.56 0.00 0.00 34.95 33.68 1x5o s ARG 56 CO 0.00 -0.17 -0.05 0.42 -0.81 0.00 0.00 175.30 174.69 1x5o s ILE 57 N -2.55 1.27 0.16 4.11 -1.09 -1.26 -0.25 121.20 121.58 1x5o s ILE 57 Ca -0.05 -0.87 -0.34 0.00 -2.23 0.00 0.00 60.65 57.15 1x5o s ILE 57 Cb -0.01 -1.49 -0.15 0.00 -1.58 0.00 0.00 42.46 39.23 1x5o s ILE 57 CO -0.04 0.03 1.45 0.18 -1.23 0.00 0.00 174.94 175.33 1x5o n LEU 58 N 4.80 2.63 -4.29 2.97 4.77 0.16 -4.85 117.00 123.19 1x5o n LEU 58 Ca -0.12 1.11 -0.28 0.00 -0.03 0.00 0.00 56.01 56.69 1x5o n LEU 58 Cb 0.46 -1.35 -0.14 0.00 -2.33 0.00 0.00 43.42 40.05 1x5o n LEU 58 CO 0.17 -0.59 -0.54 -0.13 -1.33 0.00 0.00 177.39 174.96 1x5o s ARG 59 N 0.42 1.59 0.92 3.23 0.52 -1.26 0.40 118.95 124.77 1x5o s ARG 59 Ca 0.77 -1.01 -0.16 0.00 -0.52 0.00 0.00 55.73 54.81 1x5o s ARG 59 Cb -0.75 -1.73 0.21 0.00 0.52 0.00 0.00 34.95 33.20 1x5o s ARG 59 CO 0.44 0.45 1.26 -0.40 0.02 0.00 0.00 175.30 177.06 1x5o n ASP 60 N 1.84 0.09 -0.28 0.23 5.68 -0.55 -4.79 116.55 118.76 1x5o n ASP 60 Ca -0.17 -1.45 0.08 0.00 -0.50 0.00 0.00 54.79 52.74 1x5o n ASP 60 Cb 0.53 -0.96 0.23 0.00 -1.14 0.00 0.00 41.12 39.77 1x5o n ASP 60 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1x5o h SER 61 N -1.65 0.40 0.66 -1.12 0.87 -2.01 0.69 113.55 111.39 1x5o h SER 61 Ca -0.41 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1x5o h SER 61 Cb 1.12 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x5o h SER 61 CO 0.29 0.13 0.00 -1.28 -0.53 0.00 0.00 176.83 175.44 1x5o h SER 62 N 0.51 0.00 0.00 6.23 0.87 -2.03 -3.45 113.55 115.68 1x5o h SER 62 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1x5o h SER 62 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1x5o h SER 62 CO -0.41 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.50 1x5o n GLY 63 N -0.20 0.78 3.70 5.77 0.00 0.24 -5.07 105.19 110.43 1x5o n GLY 63 Ca 0.01 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 5.38 0.31 2.61 2.01 -1.26 -4.69 115.64 118.00 1x5o s THR 64 Ca 0.00 0.24 -0.17 0.00 0.31 0.00 0.00 61.69 62.07 1x5o s THR 64 Cb 0.00 -3.50 -0.12 0.00 0.01 0.00 0.00 72.50 68.88 1x5o s THR 64 CO 0.00 0.40 0.08 -0.24 -0.69 0.00 0.00 174.62 174.16 1x5o n SER 65 N 3.82 -2.20 -1.37 3.53 2.88 -1.26 -1.48 113.62 117.54 1x5o n SER 65 Ca -0.15 0.64 -0.03 0.00 -1.33 0.00 0.00 58.87 58.00 1x5o n SER 65 Cb 0.52 -0.69 0.24 0.00 -0.75 0.00 0.00 64.21 63.53 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 1.03 2.58 -1.91 -1.46 1.74 0.16 -4.66 116.66 114.15 1x5o n ARG 66 Ca 0.09 -3.05 -0.20 0.00 -0.77 0.00 0.00 57.85 53.92 1x5o n ARG 66 Cb 0.31 -1.95 -0.05 0.00 -1.02 0.00 0.00 32.46 29.75 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 -0.76 0.93 2.72 -0.13 0.00 -1.26 -4.88 105.19 101.82 1x5o n GLY 67 Ca 0.34 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.85 0.05 0.17 1.61 1.01 -1.26 -0.40 120.40 118.74 1x5o s VAL 68 Ca 0.00 0.29 0.11 0.00 0.00 0.00 0.00 61.98 62.38 1x5o s VAL 68 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 1x5o s VAL 68 CO 0.00 0.19 -0.24 -0.83 0.00 0.00 0.00 175.10 174.21 1x5o s GLY 69 N 1.88 1.64 -0.19 4.51 0.00 0.60 -0.66 107.32 115.09 1x5o s GLY 69 Ca 0.02 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.18 1x5o s GLY 69 CO -0.03 -1.59 -0.17 -1.36 0.00 0.00 0.00 173.10 169.95 1x5o s PHE 70 N -1.52 2.76 0.07 1.90 0.08 0.65 -2.70 117.98 119.22 1x5o s PHE 70 Ca 0.18 -1.72 0.08 0.00 0.12 0.00 0.00 56.93 55.59 1x5o s PHE 70 Cb -0.08 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 1x5o s PHE 70 CO 0.08 -0.80 -0.20 0.00 -0.10 0.00 0.00 175.22 174.21 1x5o s ALA 71 N 1.29 2.57 -0.31 5.36 0.00 -1.24 -1.26 121.76 128.17 1x5o s ALA 71 Ca 0.02 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1x5o s ALA 71 Cb -0.15 -0.66 0.08 0.00 0.00 0.00 0.00 23.12 22.39 1x5o s ALA 71 CO -0.11 0.57 -0.00 0.50 0.00 0.00 0.00 175.76 176.72 1x5o s ARG 72 N -1.69 2.03 0.33 0.00 3.52 -0.79 -1.76 118.95 120.59 1x5o s ARG 72 Ca 0.15 -1.54 -0.26 0.00 -0.13 0.00 0.00 55.73 53.95 1x5o s ARG 72 Cb -0.10 -3.13 -0.09 0.00 -1.56 0.00 0.00 34.95 30.06 1x5o s ARG 72 CO 0.07 -0.75 1.01 -1.64 -0.81 0.00 0.00 175.30 173.18 1x5o s MET 73 N 1.08 4.48 0.50 5.12 -1.94 -0.97 -2.04 119.30 125.54 1x5o s MET 73 Ca -0.00 1.50 0.38 0.00 -1.71 0.00 0.00 55.69 55.85 1x5o s MET 73 Cb -0.20 -2.84 1.54 0.00 2.01 0.00 0.00 34.83 35.35 1x5o s MET 73 CO -0.05 0.15 1.65 1.05 -0.01 0.00 0.00 175.02 177.81 1x5o h GLU 74 N 3.17 0.06 0.00 2.03 4.11 -1.83 -3.43 114.58 118.68 1x5o h GLU 74 Ca -0.47 -0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.86 1x5o h GLU 74 Cb 1.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1x5o h GLU 74 CO 0.65 0.04 0.11 0.43 0.07 0.00 0.00 179.01 180.30 1x5o n SER 75 N -4.32 -1.63 0.08 3.06 7.64 -1.26 -5.05 113.62 112.14 1x5o n SER 75 Ca 0.37 -2.40 -0.03 0.00 1.01 0.00 0.00 58.87 57.81 1x5o n SER 75 Cb 1.56 2.80 -0.07 0.00 -1.01 0.00 0.00 64.21 67.49 1x5o n SER 75 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1x5o h THR 76 N 1.82 1.33 -1.00 0.44 2.02 -1.85 -3.25 112.91 112.42 1x5o h THR 76 Ca -0.26 -2.91 0.08 0.00 0.77 0.00 0.00 66.41 64.09 1x5o h THR 76 Cb 1.01 2.65 -0.07 0.00 -1.74 0.00 0.00 68.15 69.99 1x5o h THR 76 CO 0.33 0.76 0.64 -0.08 0.37 0.00 0.00 175.52 177.54 1x5o h GLU 77 N 0.00 1.09 -0.16 6.66 4.57 -1.96 -2.09 114.58 122.69 1x5o h GLU 77 Ca -0.03 -0.07 -0.21 0.00 -1.18 0.00 0.00 59.36 57.88 1x5o h GLU 77 Cb 1.64 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 29.99 1x5o h GLU 77 CO 0.10 0.72 -0.71 0.87 -1.18 0.00 0.00 179.01 178.81 1x5o h LYS 78 N 1.12 0.76 -0.81 1.92 1.79 -1.96 -3.24 116.57 116.14 1x5o h LYS 78 Ca 0.45 -0.61 0.20 0.00 -2.18 0.00 0.00 60.65 58.51 1x5o h LYS 78 Cb 0.26 0.12 -0.13 0.00 -1.58 0.00 0.00 32.23 30.90 1x5o h LYS 78 CO -0.20 1.22 0.17 0.00 -1.08 0.00 0.00 179.45 179.56 1x5o h GLU 80 N 0.21 -0.17 -0.73 0.00 5.08 -1.53 -1.46 114.58 115.98 1x5o h GLU 80 Ca 0.48 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.99 1x5o h GLU 80 Cb 0.89 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.08 1x5o h GLU 80 CO -0.61 -0.11 0.26 0.00 -1.00 0.00 0.00 179.01 177.55 1x5o h ALA 81 N 0.96 1.00 0.47 3.43 0.00 -1.15 0.12 119.26 124.08 1x5o h ALA 81 Ca 0.14 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1x5o h ALA 81 Cb 0.38 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x5o h ALA 81 CO -0.34 -0.24 -0.24 0.28 0.00 0.00 0.00 179.25 178.70 1x5o h VAL 82 N 0.40 0.00 -0.30 0.00 2.07 -0.94 -1.50 116.25 115.98 1x5o h VAL 82 Ca 0.40 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.99 1x5o h VAL 82 Cb 0.62 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 1x5o h VAL 82 CO -0.42 0.00 -0.32 0.40 0.02 0.00 0.00 177.57 177.26 1x5o h ILE 83 N -0.66 0.26 -1.00 4.57 2.04 -1.09 1.30 117.51 122.94 1x5o h ILE 83 Ca -0.06 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.03 1x5o h ILE 83 Cb 0.51 0.26 -0.10 0.00 -0.74 0.00 0.00 36.82 36.76 1x5o h ILE 83 CO 0.10 0.00 0.63 1.23 0.00 0.00 0.00 178.15 180.11 1x5o h GLY 84 N -0.30 1.41 0.00 5.37 0.00 -0.77 -0.20 103.07 108.58 1x5o h GLY 84 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1x5o h GLY 84 CO -0.46 -0.11 0.00 1.57 0.00 0.00 0.00 176.54 177.54 1x5o n HIS 85 N -4.68 0.00 -0.34 5.60 -0.00 -0.10 -4.53 115.22 111.17 1x5o n HIS 85 Ca 0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.91 1x5o n HIS 85 Cb 0.74 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.99 30.49 1x5o n HIS 85 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1x5o n PHE 86 N -2.08 -0.17 -1.12 1.57 3.01 0.43 -4.29 117.46 114.81 1x5o n PHE 86 Ca 0.00 1.06 -0.43 0.00 1.01 0.00 0.00 57.45 59.09 1x5o n PHE 86 Cb 0.00 -0.70 -0.11 0.00 -0.01 0.00 0.00 39.48 38.66 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 -5.16 0.46 -0.04 4.37 2.85 -0.09 0.23 115.26 117.88 1x5o n ASN 87 Ca 0.05 0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.91 1x5o n ASN 87 Cb 0.28 -0.75 0.00 0.00 1.24 0.00 0.00 39.78 40.55 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 5.83 0.54 3.34 8.20 0.00 -1.18 -4.96 105.19 116.96 1x5o n GLY 88 Ca 0.49 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.82 1.72 -0.33 1.61 2.36 0.63 -4.91 119.74 117.01 1x5o s LYS 89 Ca 0.00 -1.11 -0.05 0.00 -2.55 0.00 0.00 55.97 52.26 1x5o s LYS 89 Cb 0.00 -1.92 0.04 0.00 -1.05 0.00 0.00 37.83 34.91 1x5o s LYS 89 CO 0.00 0.49 0.07 -0.06 1.55 0.00 0.00 175.35 177.40 1x5o s PHE 90 N -0.83 3.26 0.61 4.03 0.40 -1.26 -1.58 117.98 122.61 1x5o s PHE 90 Ca 0.11 -1.58 -0.12 0.00 -0.60 0.00 0.00 56.93 54.74 1x5o s PHE 90 Cb -0.10 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1x5o s PHE 90 CO 0.02 -0.76 1.03 0.96 0.70 0.00 0.00 175.22 177.18 1x5o s ILE 91 N 1.35 4.46 0.38 0.64 -4.36 -1.26 -5.08 121.20 117.33 1x5o s ILE 91 Ca -0.03 0.91 0.05 0.00 -0.26 0.00 0.00 60.65 61.32 1x5o s ILE 91 Cb -0.20 -3.70 -0.00 0.00 1.25 0.00 0.00 42.46 39.81 1x5o s ILE 91 CO 0.01 -0.94 0.53 -0.54 0.24 0.00 0.00 174.94 174.25 1x5o s LYS 92 N -4.83 3.05 0.15 0.37 -0.14 -1.26 -4.81 119.74 112.27 1x5o s LYS 92 Ca 0.57 -0.92 0.08 0.00 -1.36 0.00 0.00 55.97 54.34 1x5o s LYS 92 Cb -0.12 -2.75 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 1x5o s LYS 92 CO 0.48 -0.07 -0.19 0.95 -0.76 0.00 0.00 175.35 175.76 1x5o s THR 93 N -2.30 1.79 1.01 2.17 -4.23 -1.26 -5.07 115.64 107.76 1x5o s THR 93 Ca 0.47 -1.84 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 1x5o s THR 93 Cb -0.10 -1.79 0.20 0.00 1.34 0.00 0.00 72.50 72.15 1x5o s THR 93 CO 0.33 -0.27 1.09 -2.16 -0.54 0.00 0.00 174.62 173.07 1x5o s PRO 94 N -2.63 0.32 -0.54 3.99 0.04 -1.26 -4.92 135.00 130.00 1x5o s PRO 94 Ca 0.14 0.49 -0.27 0.00 0.04 0.00 0.00 61.00 61.39 1x5o s PRO 94 Cb -0.06 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 1x5o s PRO 94 CO 0.06 -2.80 1.81 -1.25 0.04 0.00 0.00 177.00 174.87 1x5o s PRO 95 N -4.97 2.85 0.00 0.56 0.04 -1.26 -2.62 135.00 129.60 1x5o s PRO 95 Ca 0.66 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1x5o s PRO 95 Cb -0.19 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.03 1x5o s PRO 95 CO 0.58 -2.46 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1x5o n GLY 96 N 5.59 0.60 3.13 0.56 0.00 -1.26 -5.13 105.19 108.68 1x5o n GLY 96 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.37 1.36 -0.31 1.61 1.01 -1.08 -5.09 120.40 116.53 1x5o s VAL 97 Ca 0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1x5o s VAL 97 Cb 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1x5o s VAL 97 CO 0.00 0.39 1.65 -0.55 0.00 0.00 0.00 175.10 176.59 1x5o s SER 98 N -0.05 6.16 0.39 3.32 0.15 -1.26 -4.77 113.70 117.65 1x5o s SER 98 Ca -0.01 1.31 -0.26 0.00 0.70 0.00 0.00 55.95 57.68 1x5o s SER 98 Cb -0.10 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.59 1x5o s SER 98 CO 0.01 -1.49 1.30 0.00 1.20 0.00 0.00 173.24 174.26 1x5o s ALA 99 N 5.98 3.29 1.07 5.45 0.00 -1.26 -4.77 121.76 131.51 1x5o s ALA 99 Ca 0.73 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.77 1x5o s ALA 99 Cb -0.21 -3.48 0.22 0.00 0.00 0.00 0.00 23.12 19.65 1x5o s ALA 99 CO 0.32 -0.78 1.10 -1.25 0.00 0.00 0.00 175.76 175.14 1x5o s PRO 100 N -2.18 -0.12 -0.01 0.00 0.04 -1.26 -4.35 135.00 127.12 1x5o s PRO 100 Ca 0.56 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1x5o s PRO 100 Cb -0.38 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1x5o s PRO 100 CO 0.49 -3.06 0.00 2.41 0.04 0.00 0.00 177.00 176.88 1x5o n THR 101 N -4.37 0.03 -3.18 1.26 -1.04 -1.26 -5.02 114.28 100.70 1x5o n THR 101 Ca 0.07 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.76 1x5o n THR 101 Cb 0.58 -0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 68.12 1x5o n THR 101 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x5o s GLU 102 N -2.01 3.75 1.15 -2.82 2.02 -1.26 -5.09 118.70 114.44 1x5o s GLU 102 Ca -0.00 0.27 -0.17 0.00 0.02 0.00 0.00 54.97 55.08 1x5o s GLU 102 Cb 0.00 -2.54 0.26 0.00 0.10 0.00 0.00 34.13 31.95 1x5o s GLU 102 CO 0.02 0.15 1.11 -1.25 0.02 0.00 0.00 175.26 175.30 1x5o s PRO 103 N -3.45 -0.79 -0.38 0.39 0.04 -1.26 -4.93 135.00 124.63 1x5o s PRO 103 Ca 0.48 0.09 -0.18 0.00 0.04 0.00 0.00 61.00 61.43 1x5o s PRO 103 Cb -0.11 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1x5o s PRO 103 CO 0.27 -3.45 0.49 -0.51 0.04 0.00 0.00 177.00 173.84 1x5o s LEU 104 N -6.81 4.51 -0.48 -3.56 1.43 -0.61 -4.65 118.68 108.50 1x5o s LEU 104 Ca 0.69 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 53.31 1x5o s LEU 104 Cb -0.12 -2.52 0.04 0.00 0.03 0.00 0.00 46.19 43.62 1x5o s LEU 104 CO 0.56 -0.52 0.76 -0.22 0.23 0.00 0.00 176.35 177.16 1x5o s LEU 105 N 2.33 4.42 -0.10 1.79 2.96 -1.17 -3.09 118.68 125.82 1x5o s LEU 105 Ca 0.17 -0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1x5o s LEU 105 Cb -0.16 -2.77 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 1x5o s LEU 105 CO 0.14 -0.96 -0.07 0.00 -1.32 0.00 0.00 176.35 174.14 1x5o s LYS 107 N -0.34 0.70 -0.45 0.00 -2.85 -0.59 -4.87 119.74 111.35 1x5o s LYS 107 Ca 0.05 0.88 -0.30 0.00 -1.00 0.00 0.00 55.97 55.60 1x5o s LYS 107 Cb -0.12 0.32 -0.10 0.00 -2.06 0.00 0.00 37.83 35.87 1x5o s LYS 107 CO 0.02 -0.09 2.34 1.19 0.10 0.00 0.00 175.35 178.91 1x5o n PHE 108 N 2.94 1.50 0.09 1.78 3.72 -1.26 -0.84 117.46 125.38 1x5o n PHE 108 Ca -0.15 0.14 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1x5o n PHE 108 Cb 0.56 -2.59 -0.05 0.00 -0.94 0.00 0.00 39.48 36.45 1x5o n PHE 108 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1x5o h SER 109 N 15.48 -0.69 -0.50 4.37 0.87 -1.82 -3.46 113.55 127.80 1x5o h SER 109 Ca -0.26 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1x5o h SER 109 Cb 1.28 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1x5o h SER 109 CO 1.10 -0.32 0.00 0.61 -0.53 0.00 0.00 176.83 177.69 1x5o n GLY 110 N -1.36 -0.17 0.00 5.77 0.00 -1.25 -3.09 105.19 105.08 1x5o n GLY 110 Ca -0.06 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.26 1x5o n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5o n PRO 111 N -0.99 0.14 -2.90 1.61 -0.04 -1.26 -4.84 135.00 126.72 1x5o n PRO 111 Ca 0.00 0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 1x5o n PRO 111 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 1x5o n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5o n SER 112 N -1.36 -5.95 -4.89 3.54 7.64 -1.18 -4.97 113.62 106.45 1x5o n SER 112 Ca 0.06 -0.23 -0.31 0.00 1.01 0.00 0.00 58.87 59.40 1x5o n SER 112 Cb 0.13 -4.84 -0.05 0.00 -1.01 0.00 0.00 64.21 58.45 1x5o n SER 112 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5o s SER 113 N -2.55 6.55 0.00 6.43 0.15 -1.26 -5.25 113.70 117.76 1x5o s SER 113 Ca 0.24 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.70 1x5o s SER 113 Cb -0.11 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1x5o s SER 113 CO 0.30 -0.10 0.02 0.61 1.20 0.00 0.00 173.24 175.27