#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 -0.57 -6.46 1.61 4.64 -2.07 -3.45 113.55 107.25 1x5o h SER 2 Ca 0.00 0.23 -0.50 0.00 -0.47 0.00 0.00 61.79 61.05 1x5o h SER 2 Cb 0.00 0.45 -0.09 0.00 -0.31 0.00 0.00 62.40 62.45 1x5o h SER 2 CO 0.00 -0.25 -0.80 -1.20 -0.87 0.00 0.00 176.83 173.71 1x5o n SER 3 N -5.46 -3.68 -2.13 4.97 7.64 -1.26 -4.80 113.62 108.91 1x5o n SER 3 Ca 0.14 -0.88 -0.02 0.00 1.01 0.00 0.00 58.87 59.13 1x5o n SER 3 Cb 0.49 -3.44 0.04 0.00 -1.01 0.00 0.00 64.21 60.29 1x5o n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5o n GLY 4 N -1.61 0.10 3.45 0.23 0.00 -1.26 -5.15 105.19 100.95 1x5o n GLY 4 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1x5o n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5o s SER 5 N -0.44 3.65 0.54 1.61 1.04 -1.26 -5.15 113.70 113.69 1x5o s SER 5 Ca 0.05 -0.67 0.09 0.00 0.48 0.00 0.00 55.95 55.89 1x5o s SER 5 Cb 0.17 -0.40 0.07 0.00 0.10 0.00 0.00 66.02 65.96 1x5o s SER 5 CO -0.05 0.16 0.71 -0.44 0.98 0.00 0.00 173.24 174.61 1x5o s SER 6 N -2.24 5.13 0.00 7.02 0.01 -1.26 -5.00 113.70 117.36 1x5o s SER 6 Ca 0.17 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1x5o s SER 6 Cb -0.10 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.28 1x5o s SER 6 CO 0.09 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.14 1x5o n GLY 7 N -2.12 -0.06 1.63 3.44 0.00 -1.26 -4.81 105.19 102.01 1x5o n GLY 7 Ca 0.12 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1x5o n GLY 7 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x5o n LEU 8 N 0.00 0.12 -4.46 0.99 7.94 -1.26 -5.01 117.00 115.31 1x5o n LEU 8 Ca 0.00 0.15 -0.43 0.00 -1.11 0.00 0.00 56.01 54.61 1x5o n LEU 8 Cb 0.00 0.05 -0.05 0.00 0.53 0.00 0.00 43.42 43.95 1x5o n LEU 8 CO 0.00 -0.50 0.55 -0.75 -1.11 0.00 0.00 177.39 175.58 1x5o s LYS 9 N -2.00 3.18 0.06 1.96 2.20 -1.26 -4.91 119.74 118.96 1x5o s LYS 9 Ca 0.00 -0.72 -0.20 0.00 -0.36 0.00 0.00 55.97 54.69 1x5o s LYS 9 Cb 0.00 -4.12 -0.12 0.00 -1.51 0.00 0.00 37.83 32.08 1x5o s LYS 9 CO 0.00 -1.44 1.41 0.00 -0.36 0.00 0.00 175.35 174.96 1x5o h ALA 10 N 9.21 0.26 -2.12 3.13 0.00 -1.95 -3.47 119.26 124.33 1x5o h ALA 10 Ca -0.27 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 1x5o h ALA 10 Cb 1.08 -0.06 -0.19 0.00 0.00 0.00 0.00 17.79 18.62 1x5o h ALA 10 CO 1.05 0.08 0.08 -1.12 0.00 0.00 0.00 179.25 179.35 1x5o s SER 11 N -6.05 -0.55 -0.29 0.00 0.01 -1.26 -5.07 113.70 100.48 1x5o s SER 11 Ca -0.14 0.58 0.11 0.00 1.31 0.00 0.00 55.95 57.82 1x5o s SER 11 Cb 0.06 0.50 0.36 0.00 0.21 0.00 0.00 66.02 67.14 1x5o s SER 11 CO 0.75 -0.57 1.44 0.61 0.41 0.00 0.00 173.24 175.88 1x5o n GLY 12 N 1.01 1.75 3.72 3.44 0.00 -1.26 -5.13 105.19 108.72 1x5o n GLY 12 Ca -0.20 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 0.11 3.53 0.07 1.61 0.11 -1.26 -5.03 120.40 119.54 1x5o s VAL 13 Ca 0.08 1.14 0.09 0.00 -2.93 0.00 0.00 61.98 60.36 1x5o s VAL 13 Cb 0.39 -3.73 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 1x5o s VAL 13 CO -0.11 0.11 -0.24 -1.10 -3.33 0.00 0.00 175.10 170.44 1x5o s GLN 14 N 0.73 1.48 0.27 1.54 -1.52 -1.26 -5.15 119.66 115.76 1x5o s GLN 14 Ca 0.60 -1.09 0.02 0.00 -1.95 0.00 0.00 55.36 52.95 1x5o s GLN 14 Cb -0.34 -1.70 -0.03 0.00 -0.22 0.00 0.00 33.01 30.72 1x5o s GLN 14 CO 0.32 0.43 0.24 0.00 -0.25 0.00 0.00 175.29 176.03 1x5o s ALA 15 N -0.89 1.40 -0.14 6.09 0.00 -1.26 -5.17 121.76 121.79 1x5o s ALA 15 Ca 0.10 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.15 1x5o s ALA 15 Cb -0.10 1.40 0.05 0.00 0.00 0.00 0.00 23.12 24.48 1x5o s ALA 15 CO 0.03 -0.65 0.34 1.14 0.00 0.00 0.00 175.76 176.61 1x5o s GLN 16 N -3.73 0.31 0.21 0.00 1.03 -1.26 -5.17 119.66 111.05 1x5o s GLN 16 Ca 0.38 0.67 0.02 0.00 0.04 0.00 0.00 55.36 56.47 1x5o s GLN 16 Cb 0.04 -0.06 -0.05 0.00 0.03 0.00 0.00 33.01 32.97 1x5o s GLN 16 CO 0.20 -0.16 0.04 0.00 -2.54 0.00 0.00 175.29 172.83 1x5o s MET 17 N 1.32 1.23 0.10 9.60 0.23 -1.26 -5.14 119.30 125.38 1x5o s MET 17 Ca -0.09 -1.62 -0.29 0.00 -1.03 0.00 0.00 55.69 52.65 1x5o s MET 17 Cb -0.09 -0.27 -0.06 0.00 -1.53 0.00 0.00 34.83 32.88 1x5o s MET 17 CO -0.11 -0.19 0.92 0.00 -2.03 0.00 0.00 175.02 173.62 1x5o s ALA 18 N -3.69 3.27 0.00 3.16 0.00 -1.26 -5.00 121.76 118.24 1x5o s ALA 18 Ca 0.29 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 1x5o s ALA 18 Cb 0.07 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1x5o s ALA 18 CO 0.08 -0.01 0.69 0.87 0.00 0.00 0.00 175.76 177.39 1x5o h LYS 19 N 5.58 -0.08 -6.66 0.00 1.57 -2.08 -3.43 116.57 111.46 1x5o h LYS 19 Ca -0.43 0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 57.83 1x5o h LYS 19 Cb 1.21 0.02 0.04 0.00 0.08 0.00 0.00 32.23 33.58 1x5o h LYS 19 CO 0.72 -0.06 0.72 1.14 -0.57 0.00 0.00 179.45 181.40 1x5o s GLN 20 N -2.52 4.32 -0.03 3.15 0.00 -1.26 -5.02 119.66 118.31 1x5o s GLN 20 Ca -0.01 2.16 0.03 0.00 -0.00 0.00 0.00 55.36 57.54 1x5o s GLN 20 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 33.01 29.80 1x5o s GLN 20 CO 0.04 -0.38 -0.11 -0.65 0.00 0.00 0.00 175.29 174.18 1x5o s GLN 21 N 0.24 2.51 0.01 9.60 -1.52 -1.26 -5.12 119.66 124.11 1x5o s GLN 21 Ca 0.61 -0.71 -0.16 0.00 -1.95 0.00 0.00 55.36 53.15 1x5o s GLN 21 Cb -0.39 -2.43 -0.06 0.00 -0.22 0.00 0.00 33.01 29.92 1x5o s GLN 21 CO 0.37 0.62 0.44 -1.21 -0.25 0.00 0.00 175.29 175.26 1x5o s GLU 22 N -1.02 4.00 -0.38 2.91 2.02 -1.26 -5.00 118.70 119.97 1x5o s GLU 22 Ca 0.14 0.48 0.06 0.00 0.02 0.00 0.00 54.97 55.66 1x5o s GLU 22 Cb -0.11 -3.24 0.44 0.00 0.10 0.00 0.00 34.13 31.32 1x5o s GLU 22 CO 0.03 0.64 1.20 1.04 0.02 0.00 0.00 175.26 178.20 1x5o n GLN 23 N 1.93 3.49 -3.60 1.61 6.02 -1.26 -4.94 117.38 120.64 1x5o n GLN 23 Ca -0.13 -4.27 -0.23 0.00 -0.01 0.00 0.00 57.00 52.36 1x5o n GLN 23 Cb 0.52 -2.27 0.04 0.00 1.02 0.00 0.00 30.24 29.56 1x5o n GLN 23 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1x5o n ASP 24 N -0.61 -3.53 0.00 1.08 8.00 -1.26 -3.40 116.55 116.83 1x5o n ASP 24 Ca 0.43 -0.85 0.07 0.00 0.71 0.00 0.00 54.79 55.15 1x5o n ASP 24 Cb 0.81 -4.11 0.39 0.00 -0.02 0.00 0.00 41.12 38.18 1x5o n ASP 24 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1x5o n PRO 25 N -4.03 0.25 -0.31 -0.24 -0.04 -1.26 -3.51 135.00 125.87 1x5o n PRO 25 Ca -0.19 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.51 1x5o n PRO 25 Cb 0.64 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.57 -3.49 0.52 1.35 -1.88 -3.40 112.91 106.58 1x5o h THR 26 Ca 0.00 -0.17 -0.52 0.00 -0.55 0.00 0.00 66.41 65.16 1x5o h THR 26 Cb 0.12 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.54 1x5o h THR 26 CO 0.00 0.09 0.41 0.20 -0.25 0.00 0.00 175.52 175.97 1x5o s ASN 27 N -5.27 7.37 -0.12 5.36 -0.87 -1.23 -2.29 114.94 117.90 1x5o s ASN 27 Ca -0.12 1.86 -0.01 0.00 -1.57 0.00 0.00 52.86 53.02 1x5o s ASN 27 Cb 0.24 -2.59 -0.02 0.00 -0.02 0.00 0.00 41.25 38.86 1x5o s ASN 27 CO 0.78 -0.19 -0.09 -0.76 -2.57 0.00 0.00 177.10 174.28 1x5o s LEU 28 N 0.24 3.00 -0.63 0.60 1.43 -1.09 -2.46 118.68 119.76 1x5o s LEU 28 Ca 0.50 -0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 53.17 1x5o s LEU 28 Cb -0.25 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.34 1x5o s LEU 28 CO 0.31 0.22 1.03 -0.47 0.23 0.00 0.00 176.35 177.67 1x5o s TYR 29 N 0.03 2.63 -0.17 0.29 6.14 -0.46 -3.85 117.35 121.97 1x5o s TYR 29 Ca -0.02 -0.22 -0.03 0.00 0.64 0.00 0.00 57.07 57.44 1x5o s TYR 29 Cb -0.14 -4.30 -0.02 0.00 0.42 0.00 0.00 41.96 37.92 1x5o s TYR 29 CO 0.03 -1.63 -0.05 0.42 0.64 0.00 0.00 175.55 174.96 1x5o s ILE 30 N 4.41 3.66 0.21 3.14 1.01 -1.21 -1.67 121.20 130.75 1x5o s ILE 30 Ca 0.29 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1x5o s ILE 30 Cb -0.13 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1x5o s ILE 30 CO 0.15 0.48 0.08 -1.20 0.00 0.00 0.00 174.94 174.45 1x5o n SER 31 N 3.83 1.09 -2.96 3.58 7.64 -0.57 -1.20 113.62 125.03 1x5o n SER 31 Ca -0.18 -2.14 -0.16 0.00 1.01 0.00 0.00 58.87 57.40 1x5o n SER 31 Cb 0.52 0.54 0.07 0.00 -1.01 0.00 0.00 64.21 64.33 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 -1.78 -3.38 -4.77 6.43 4.13 0.58 -3.06 115.26 113.42 1x5o n ASN 32 Ca -0.03 -0.47 -0.28 0.00 1.68 0.00 0.00 54.58 55.48 1x5o n ASN 32 Cb 0.32 -4.17 -0.06 0.00 -1.54 0.00 0.00 39.78 34.33 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 -5.70 3.73 0.14 3.41 1.43 0.06 -4.61 118.68 117.14 1x5o s LEU 33 Ca 0.18 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.85 1x5o s LEU 33 Cb -0.08 -2.37 -0.08 0.00 0.03 0.00 0.00 46.19 43.69 1x5o s LEU 33 CO 0.58 0.11 1.34 -2.16 0.23 0.00 0.00 176.35 176.45 1x5o s PRO 34 N -2.80 4.36 0.55 1.29 0.04 -1.26 -3.94 135.00 133.25 1x5o s PRO 34 Ca 0.30 2.04 0.30 0.00 0.04 0.00 0.00 61.00 63.67 1x5o s PRO 34 Cb -0.11 -3.24 1.46 0.00 0.04 0.00 0.00 34.50 32.66 1x5o s PRO 34 CO 0.22 -0.35 1.91 -0.07 0.04 0.00 0.00 177.00 178.75 1x5o h LEU 35 N 6.25 0.00 -1.15 -3.56 3.38 -1.93 0.72 115.31 119.02 1x5o h LEU 35 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1x5o h LEU 35 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1x5o h LEU 35 CO 0.82 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 178.15 1x5o n SER 36 N -4.12 1.51 -4.80 -0.43 7.64 -1.26 -4.48 113.62 107.68 1x5o n SER 36 Ca 0.14 -2.12 -0.32 0.00 1.01 0.00 0.00 58.87 57.58 1x5o n SER 36 Cb 0.81 -0.38 0.03 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.51 3.03 -0.00 1.43 0.00 0.25 -4.98 119.30 117.51 1x5o s MET 37 Ca 0.10 1.17 0.01 0.00 0.00 0.00 0.00 55.69 56.96 1x5o s MET 37 Cb 0.07 -1.99 0.00 0.00 0.00 0.00 0.00 34.83 32.91 1x5o s MET 37 CO 0.04 -1.04 -0.01 0.16 0.00 0.00 0.00 175.02 174.17 1x5o s ASP 38 N -3.07 0.23 0.37 1.11 1.47 -1.26 -5.00 116.67 110.52 1x5o s ASP 38 Ca 0.62 -0.03 0.31 0.00 1.18 0.00 0.00 52.55 54.63 1x5o s ASP 38 Cb -0.16 -0.04 1.23 0.00 -0.34 0.00 0.00 42.92 43.60 1x5o s ASP 38 CO 0.44 0.01 1.20 -0.62 0.68 0.00 0.00 175.17 176.88 1x5o n GLU 39 N 3.18 -0.02 0.47 2.11 1.02 -1.26 0.75 120.64 126.89 1x5o n GLU 39 Ca -0.14 0.91 -0.20 0.00 -0.02 0.00 0.00 57.16 57.71 1x5o n GLU 39 Cb 0.58 -1.91 -0.10 0.00 -0.02 0.00 0.00 31.44 29.99 1x5o n GLU 39 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1x5o h GLN 40 N 0.00 -1.13 0.23 3.49 4.15 -1.97 -3.06 115.11 116.82 1x5o h GLN 40 Ca 0.70 0.08 0.00 0.00 0.77 0.00 0.00 58.65 60.20 1x5o h GLN 40 Cb 2.48 0.26 -0.04 0.00 0.21 0.00 0.00 27.48 30.39 1x5o h GLN 40 CO -0.22 -0.75 -0.53 1.49 -1.93 0.00 0.00 178.83 176.89 1x5o h GLU 41 N -1.18 -0.80 -1.52 1.69 4.57 -0.08 0.89 114.58 118.15 1x5o h GLU 41 Ca -0.12 0.05 0.44 0.00 -1.18 0.00 0.00 59.36 58.55 1x5o h GLU 41 Cb 0.90 0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 29.61 1x5o h GLU 41 CO 0.20 -0.53 1.23 -0.11 -1.18 0.00 0.00 179.01 178.61 1x5o n LEU 42 N -5.49 0.00 -0.10 1.64 7.94 -1.09 0.66 117.00 120.56 1x5o n LEU 42 Ca -0.10 0.83 -0.23 0.00 -1.11 0.00 0.00 56.01 55.40 1x5o n LEU 42 Cb 0.43 -0.38 -0.12 0.00 0.53 0.00 0.00 43.42 43.88 1x5o n LEU 42 CO 0.19 -0.83 -0.68 1.21 -1.11 0.00 0.00 177.39 176.17 1x5o n GLU 43 N -3.51 0.58 -0.36 1.96 2.13 -0.14 -3.90 120.64 117.42 1x5o n GLU 43 Ca 0.34 0.51 0.27 0.00 0.66 0.00 0.00 57.16 58.93 1x5o n GLU 43 Cb 1.69 -1.71 0.52 0.00 0.27 0.00 0.00 31.44 32.21 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 -0.91 0.45 0.43 4.31 2.35 0.25 1.50 115.58 123.96 1x5o h ASN 44 Ca -0.41 0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.38 1x5o h ASN 44 Cb 1.41 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.88 1x5o h ASN 44 CO -0.22 -0.12 -0.53 0.00 -1.65 0.00 0.00 177.43 174.91 1x5o h MET 45 N 0.28 0.12 -0.01 0.81 -0.00 -1.46 -2.85 114.93 111.82 1x5o h MET 45 Ca 0.73 -0.07 0.00 0.00 -0.00 0.00 0.00 59.70 60.36 1x5o h MET 45 Cb 1.85 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 33.46 1x5o h MET 45 CO -0.52 0.62 -0.48 1.28 -0.00 0.00 0.00 176.91 177.81 1x5o n LEU 46 N -3.91 0.99 0.48 -0.10 4.77 0.43 -4.33 117.00 115.33 1x5o n LEU 46 Ca -0.02 -0.28 -0.19 0.00 -0.03 0.00 0.00 56.01 55.49 1x5o n LEU 46 Cb 0.56 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1x5o n LEU 46 CO 0.42 0.21 0.49 0.11 -1.33 0.00 0.00 177.39 177.29 1x5o h LYS 47 N 0.80 -1.19 0.00 3.23 1.57 0.12 -1.25 116.57 119.85 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 0.54 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.12 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 -5.59 0.49 -0.14 3.15 -0.04 -1.25 -2.88 135.00 128.74 1x5o n PRO 48 Ca -0.15 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.05 1x5o n PRO 48 Cb 0.49 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.88 0.00 -3.66 0.54 3.01 -1.01 -5.11 117.46 110.36 1x5o n PHE 49 Ca 0.09 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.55 1x5o n PHE 49 Cb 0.04 -1.00 0.00 0.00 -0.01 0.00 0.00 39.48 38.52 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 1.64 0.93 3.59 1.37 0.00 -0.50 -4.98 105.19 107.24 1x5o n GLY 50 Ca -0.51 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.01 3.51 -0.05 1.61 0.74 -1.26 -4.41 119.66 117.79 1x5o s GLN 51 Ca 0.04 0.64 -0.30 0.00 0.05 0.00 0.00 55.36 55.80 1x5o s GLN 51 Cb -0.00 -4.03 -0.02 0.00 1.10 0.00 0.00 33.01 30.05 1x5o s GLN 51 CO 0.00 -1.66 1.06 0.08 -0.55 0.00 0.00 175.29 174.23 1x5o s VAL 52 N 5.38 4.62 -0.17 1.34 1.01 -1.26 -2.99 120.40 128.33 1x5o s VAL 52 Ca 0.54 1.90 -0.14 0.00 0.00 0.00 0.00 61.98 64.28 1x5o s VAL 52 Cb -0.11 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 1x5o s VAL 52 CO 0.30 0.05 -0.12 -0.38 0.00 0.00 0.00 175.10 174.95 1x5o n ILE 53 N 4.34 1.46 -3.76 2.22 2.08 -0.98 -4.98 119.36 119.74 1x5o n ILE 53 Ca 0.09 0.11 -0.12 0.00 0.56 0.00 0.00 62.75 63.38 1x5o n ILE 53 Cb 0.49 -2.27 -0.08 0.00 -0.75 0.00 0.00 39.64 37.03 1x5o n ILE 53 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1x5o s SER 54 N -6.14 -0.15 -0.00 4.38 1.04 -1.23 -5.00 113.70 106.60 1x5o s SER 54 Ca -0.22 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1x5o s SER 54 Cb 0.04 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1x5o s SER 54 CO 0.35 -0.54 0.00 0.42 0.98 0.00 0.00 173.24 174.46 1x5o s THR 55 N -2.01 0.01 0.01 2.02 -4.23 -1.26 -1.31 115.64 108.86 1x5o s THR 55 Ca -0.09 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.42 1x5o s THR 55 Cb -0.03 -0.03 -0.01 0.00 1.34 0.00 0.00 72.50 73.78 1x5o s THR 55 CO 0.00 0.01 0.02 -0.60 -0.54 0.00 0.00 174.62 173.51 1x5o s ARG 56 N 0.09 0.24 -0.20 3.99 3.52 0.58 -4.99 118.95 122.18 1x5o s ARG 56 Ca -0.01 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1x5o s ARG 56 Cb -0.01 0.09 0.04 0.00 -1.56 0.00 0.00 34.95 33.51 1x5o s ARG 56 CO -0.00 -0.04 -0.13 0.42 -0.81 0.00 0.00 175.30 174.73 1x5o s ILE 57 N -0.94 1.82 0.76 4.11 -1.09 -1.26 0.25 121.20 124.84 1x5o s ILE 57 Ca -0.10 -1.05 -0.15 0.00 -2.23 0.00 0.00 60.65 57.12 1x5o s ILE 57 Cb -0.06 -1.81 0.01 0.00 -1.58 0.00 0.00 42.46 39.02 1x5o s ILE 57 CO -0.00 0.26 0.81 0.18 -1.23 0.00 0.00 174.94 174.96 1x5o n LEU 58 N 4.64 2.40 -4.12 2.97 4.77 -0.70 -4.92 117.00 122.04 1x5o n LEU 58 Ca -0.16 0.59 -0.16 0.00 -0.03 0.00 0.00 56.01 56.24 1x5o n LEU 58 Cb 0.47 -1.34 -0.12 0.00 -2.33 0.00 0.00 43.42 40.10 1x5o n LEU 58 CO 0.22 -2.50 -0.44 -0.13 -1.33 0.00 0.00 177.39 173.22 1x5o s ARG 59 N -3.32 0.70 0.77 3.23 0.52 -1.26 -2.57 118.95 117.02 1x5o s ARG 59 Ca 0.69 -0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 54.94 1x5o s ARG 59 Cb -0.32 -0.62 0.05 0.00 0.52 0.00 0.00 34.95 34.58 1x5o s ARG 59 CO 0.55 0.13 1.13 0.34 0.02 0.00 0.00 175.30 177.47 1x5o s ASP 60 N -1.60 4.84 0.28 0.23 2.15 0.19 -4.75 116.67 118.01 1x5o s ASP 60 Ca -0.05 0.99 -0.08 0.00 0.43 0.00 0.00 52.55 53.85 1x5o s ASP 60 Cb -0.10 -1.64 0.46 0.00 -0.30 0.00 0.00 42.92 41.34 1x5o s ASP 60 CO 0.01 -1.71 1.57 0.77 -0.17 0.00 0.00 175.17 175.64 1x5o h SER 61 N -0.92 -0.87 0.37 -0.34 4.64 -2.01 1.46 113.55 115.88 1x5o h SER 61 Ca -0.46 0.29 -0.09 0.00 -0.47 0.00 0.00 61.79 61.06 1x5o h SER 61 Cb 1.29 0.59 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 1x5o h SER 61 CO 0.64 -0.32 -0.41 0.28 -0.87 0.00 0.00 176.83 176.15 1x5o h SER 62 N 0.00 0.06 0.00 4.97 0.02 -2.04 -3.46 113.55 113.10 1x5o h SER 62 Ca 0.47 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1x5o h SER 62 Cb 0.74 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1x5o h SER 62 CO -0.99 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 175.77 1x5o n GLY 63 N -0.32 1.24 3.26 -3.77 0.00 0.50 -5.14 105.19 100.95 1x5o n GLY 63 Ca -0.02 0.00 -0.32 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 2.24 0.17 2.61 2.01 -1.24 -4.68 115.64 114.76 1x5o s THR 64 Ca 0.00 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 1x5o s THR 64 Cb 0.00 -1.87 -0.13 0.00 0.01 0.00 0.00 72.50 70.51 1x5o s THR 64 CO 0.00 0.56 0.37 -0.24 -0.69 0.00 0.00 174.62 174.62 1x5o n SER 65 N 3.42 -1.08 -1.52 3.53 2.88 -1.26 0.55 113.62 120.14 1x5o n SER 65 Ca -0.19 0.85 -0.01 0.00 -1.33 0.00 0.00 58.87 58.20 1x5o n SER 65 Cb 0.53 -0.73 0.28 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.80 3.23 -2.21 -1.46 1.74 -1.06 -4.62 116.66 113.08 1x5o n ARG 66 Ca 0.13 -3.04 -0.17 0.00 -0.77 0.00 0.00 57.85 54.01 1x5o n ARG 66 Cb 0.20 -2.04 -0.02 0.00 -1.02 0.00 0.00 32.46 29.58 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 -0.39 -0.06 2.84 -0.13 0.00 -1.25 -4.84 105.19 101.36 1x5o n GLY 67 Ca 0.33 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.81 -0.03 -0.02 1.61 1.01 -1.26 -0.30 120.40 118.60 1x5o s VAL 68 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1x5o s VAL 68 Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.32 1x5o s VAL 68 CO 0.00 0.05 0.01 -0.83 0.00 0.00 0.00 175.10 174.33 1x5o s GLY 69 N 0.59 0.11 -0.12 4.51 0.00 -0.34 -1.72 107.32 110.34 1x5o s GLY 69 Ca -0.05 0.19 -0.08 0.00 0.00 0.00 0.00 44.72 44.78 1x5o s GLY 69 CO -0.02 0.48 0.16 -1.36 0.00 0.00 0.00 173.10 172.36 1x5o s PHE 70 N 0.77 3.58 -0.04 1.90 0.40 0.14 -3.35 117.98 121.37 1x5o s PHE 70 Ca -0.07 0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 56.79 1x5o s PHE 70 Cb -0.10 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.46 1x5o s PHE 70 CO -0.02 0.66 0.02 0.00 0.70 0.00 0.00 175.22 176.58 1x5o s ALA 71 N -0.81 0.36 -0.54 5.36 0.00 -1.25 -0.31 121.76 124.57 1x5o s ALA 71 Ca 0.15 0.11 -0.21 0.00 0.00 0.00 0.00 51.96 52.01 1x5o s ALA 71 Cb -0.12 -0.50 0.06 0.00 0.00 0.00 0.00 23.12 22.55 1x5o s ALA 71 CO 0.04 -0.29 0.76 0.50 0.00 0.00 0.00 175.76 176.77 1x5o s ARG 72 N 1.59 3.18 0.42 0.00 3.52 -0.42 -2.67 118.95 124.56 1x5o s ARG 72 Ca -0.02 -0.74 -0.22 0.00 -0.13 0.00 0.00 55.73 54.62 1x5o s ARG 72 Cb -0.13 -4.11 -0.10 0.00 -1.56 0.00 0.00 34.95 29.05 1x5o s ARG 72 CO -0.03 -1.39 0.99 -1.64 -0.81 0.00 0.00 175.30 172.42 1x5o s MET 73 N 3.17 4.17 0.40 5.12 -1.94 -0.97 -2.33 119.30 126.92 1x5o s MET 73 Ca 0.20 1.30 0.25 0.00 -1.71 0.00 0.00 55.69 55.73 1x5o s MET 73 Cb -0.17 -2.34 1.39 0.00 2.01 0.00 0.00 34.83 35.72 1x5o s MET 73 CO 0.13 -0.10 1.59 1.05 -0.01 0.00 0.00 175.02 177.68 1x5o h GLU 74 N 2.16 0.02 -2.53 2.03 4.11 -1.88 -3.44 114.58 115.05 1x5o h GLU 74 Ca -0.49 -0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.12 1x5o h GLU 74 Cb 1.20 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1x5o h GLU 74 CO 0.61 0.02 0.63 0.45 0.07 0.00 0.00 179.01 180.79 1x5o s SER 75 N -4.46 0.02 0.18 3.06 0.15 -1.26 -5.04 113.70 106.35 1x5o s SER 75 Ca -0.08 -0.65 -0.08 0.00 0.70 0.00 0.00 55.95 55.83 1x5o s SER 75 Cb 0.33 0.47 0.08 0.00 -1.71 0.00 0.00 66.02 65.18 1x5o s SER 75 CO 0.80 -0.93 1.61 0.74 1.20 0.00 0.00 173.24 176.65 1x5o h THR 76 N 2.00 1.27 -1.02 6.45 2.02 -1.89 -2.90 112.91 118.84 1x5o h THR 76 Ca -0.27 -1.28 0.38 0.00 0.77 0.00 0.00 66.41 66.01 1x5o h THR 76 Cb 1.21 1.01 -0.17 0.00 -1.74 0.00 0.00 68.15 68.47 1x5o h THR 76 CO 0.36 0.45 0.57 -0.08 0.37 0.00 0.00 175.52 177.19 1x5o h GLU 77 N 0.86 0.12 0.18 6.66 4.57 -1.98 0.34 114.58 125.34 1x5o h GLU 77 Ca 0.13 -0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 58.01 1x5o h GLU 77 Cb 0.69 -0.03 0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1x5o h GLU 77 CO 0.05 0.08 -1.36 0.87 -1.18 0.00 0.00 179.01 177.47 1x5o h LYS 78 N 0.13 0.38 -0.96 1.92 1.79 -1.94 -3.35 116.57 114.53 1x5o h LYS 78 Ca 0.81 -0.65 0.22 0.00 -2.18 0.00 0.00 60.65 58.84 1x5o h LYS 78 Cb 2.06 0.24 -0.18 0.00 -1.58 0.00 0.00 32.23 32.77 1x5o h LYS 78 CO -0.69 1.31 -0.15 0.00 -1.08 0.00 0.00 179.45 178.85 1x5o h GLU 80 N 0.01 -0.45 -0.79 0.00 5.08 -1.57 -1.38 114.58 115.48 1x5o h GLU 80 Ca 0.50 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 59.08 1x5o h GLU 80 Cb 0.87 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.10 1x5o h GLU 80 CO -0.96 -0.30 0.19 0.00 -1.00 0.00 0.00 179.01 176.95 1x5o h ALA 81 N 0.23 1.05 0.18 3.43 0.00 -0.88 0.14 119.26 123.41 1x5o h ALA 81 Ca 0.08 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1x5o h ALA 81 Cb 0.59 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1x5o h ALA 81 CO -0.34 -0.37 -0.09 0.28 0.00 0.00 0.00 179.25 178.73 1x5o h VAL 82 N 0.25 0.00 -0.22 0.00 2.07 -0.78 -2.09 116.25 115.47 1x5o h VAL 82 Ca 0.46 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.02 1x5o h VAL 82 Cb 0.83 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1x5o h VAL 82 CO -0.56 0.00 -0.54 0.40 0.02 0.00 0.00 177.57 176.89 1x5o h ILE 83 N -0.24 0.01 -1.31 4.57 2.04 -0.99 1.23 117.51 122.83 1x5o h ILE 83 Ca -0.02 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.23 1x5o h ILE 83 Cb 0.19 0.01 -0.10 0.00 -0.74 0.00 0.00 36.82 36.18 1x5o h ILE 83 CO 0.04 0.00 0.88 1.23 0.00 0.00 0.00 178.15 180.29 1x5o h GLY 84 N -0.52 0.86 0.00 5.37 0.00 -0.79 0.26 103.07 108.26 1x5o h GLY 84 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1x5o h GLY 84 CO -0.49 -0.21 0.00 1.42 0.00 0.00 0.00 176.54 177.27 1x5o n HIS 85 N -4.48 0.00 -0.34 5.60 8.25 0.28 -4.53 115.22 119.99 1x5o n HIS 85 Ca 0.33 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.87 1x5o n HIS 85 Cb 1.33 -0.12 0.17 0.00 1.12 0.00 0.00 29.99 32.49 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 -2.04 0.41 -1.35 4.41 3.72 0.40 -4.31 117.46 118.70 1x5o n PHE 86 Ca 0.00 1.16 -0.28 0.00 -0.05 0.00 0.00 57.45 58.28 1x5o n PHE 86 Cb 0.00 -1.10 -0.17 0.00 -0.94 0.00 0.00 39.48 37.27 1x5o n PHE 86 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1x5o n ASN 87 N -5.53 -0.55 -0.18 4.37 2.85 0.92 0.22 115.26 117.36 1x5o n ASN 87 Ca 0.17 -0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1x5o n ASN 87 Cb 0.54 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.91 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 5.38 0.98 3.39 8.20 0.00 -1.13 -4.98 105.19 117.04 1x5o n GLY 88 Ca 0.60 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.03 1.53 -0.29 1.61 2.47 0.61 -4.89 119.74 117.75 1x5o s LYS 89 Ca 0.00 -1.28 -0.04 0.00 -1.56 0.00 0.00 55.97 53.09 1x5o s LYS 89 Cb 0.00 -1.95 0.03 0.00 -1.46 0.00 0.00 37.83 34.45 1x5o s LYS 89 CO 0.00 0.47 0.03 -0.06 0.16 0.00 0.00 175.35 175.95 1x5o s PHE 90 N -1.02 3.18 0.47 4.03 0.40 -1.26 -1.81 117.98 121.97 1x5o s PHE 90 Ca 0.14 -1.43 -0.11 0.00 -0.60 0.00 0.00 56.93 54.94 1x5o s PHE 90 Cb -0.10 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.20 1x5o s PHE 90 CO 0.06 -0.70 0.86 0.96 0.70 0.00 0.00 175.22 177.09 1x5o s ILE 91 N 1.38 4.75 0.57 0.64 -4.36 -1.26 -5.08 121.20 117.83 1x5o s ILE 91 Ca -0.01 0.69 -0.02 0.00 -0.26 0.00 0.00 60.65 61.06 1x5o s ILE 91 Cb -0.18 -3.78 0.03 0.00 1.25 0.00 0.00 42.46 39.78 1x5o s ILE 91 CO -0.00 -0.72 0.82 -1.59 0.24 0.00 0.00 174.94 173.70 1x5o s LYS 92 N -4.28 2.63 0.23 0.37 -2.85 -1.26 -4.75 119.74 109.84 1x5o s LYS 92 Ca 0.53 -0.49 0.10 0.00 -1.00 0.00 0.00 55.97 55.10 1x5o s LYS 92 Cb -0.10 -2.40 -0.04 0.00 -2.06 0.00 0.00 37.83 33.22 1x5o s LYS 92 CO 0.38 -0.73 -0.12 0.95 0.10 0.00 0.00 175.35 175.93 1x5o s THR 93 N -2.86 2.97 1.01 3.79 -4.23 -1.26 -5.04 115.64 110.02 1x5o s THR 93 Ca 0.55 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.97 1x5o s THR 93 Cb -0.10 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.42 1x5o s THR 93 CO 0.41 -0.25 1.09 -2.16 -0.54 0.00 0.00 174.62 173.17 1x5o s PRO 94 N -3.20 0.31 -0.96 3.99 0.04 -1.26 -4.89 135.00 129.02 1x5o s PRO 94 Ca 0.27 0.48 -0.24 0.00 0.04 0.00 0.00 61.00 61.55 1x5o s PRO 94 Cb -0.07 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 1x5o s PRO 94 CO 0.16 -2.81 1.95 -1.25 0.04 0.00 0.00 177.00 175.08 1x5o s PRO 95 N -4.96 2.54 0.00 0.56 0.04 -1.26 -2.24 135.00 129.68 1x5o s PRO 95 Ca 0.66 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1x5o s PRO 95 Cb -0.19 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1x5o s PRO 95 CO 0.58 -3.51 0.00 0.41 0.04 0.00 0.00 177.00 174.52 1x5o n GLY 96 N 6.64 -0.08 3.48 0.56 0.00 -1.26 -5.15 105.19 109.39 1x5o n GLY 96 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 2.71 -0.14 1.61 1.01 -0.95 -5.12 120.40 119.53 1x5o s VAL 97 Ca 0.00 -1.74 -0.20 0.00 0.00 0.00 0.00 61.98 60.04 1x5o s VAL 97 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1x5o s VAL 97 CO 0.00 -0.02 0.59 -0.55 0.00 0.00 0.00 175.10 175.12 1x5o s SER 98 N -2.47 6.75 0.40 3.32 0.15 -1.26 -4.68 113.70 115.91 1x5o s SER 98 Ca 0.20 0.90 -0.26 0.00 0.70 0.00 0.00 55.95 57.49 1x5o s SER 98 Cb -0.09 -2.34 -0.09 0.00 -1.71 0.00 0.00 66.02 61.79 1x5o s SER 98 CO 0.11 -0.14 1.31 0.00 1.20 0.00 0.00 173.24 175.72 1x5o s ALA 99 N 1.20 3.28 1.17 5.45 0.00 -1.26 -4.90 121.76 126.70 1x5o s ALA 99 Ca 0.30 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.32 1x5o s ALA 99 Cb -0.16 -3.49 0.27 0.00 0.00 0.00 0.00 23.12 19.74 1x5o s ALA 99 CO 0.12 -0.82 1.11 -1.25 0.00 0.00 0.00 175.76 174.92 1x5o s PRO 100 N -2.21 -0.95 -0.01 0.00 0.04 -1.26 -5.02 135.00 125.58 1x5o s PRO 100 Ca 0.56 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.65 1x5o s PRO 100 Cb -0.38 -1.62 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1x5o s PRO 100 CO 0.49 -3.55 0.01 0.25 0.04 0.00 0.00 177.00 174.24 1x5o n THR 101 N -4.67 0.07 -3.35 1.26 -2.24 -1.26 -5.04 114.28 99.06 1x5o n THR 101 Ca 0.12 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 1x5o n THR 101 Cb 0.59 -0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.05 3.90 1.01 -0.78 2.02 -1.26 -5.08 118.70 116.47 1x5o s GLU 102 Ca -0.01 0.42 -0.13 0.00 0.02 0.00 0.00 54.97 55.28 1x5o s GLU 102 Cb 0.01 -2.73 0.20 0.00 0.10 0.00 0.00 34.13 31.70 1x5o s GLU 102 CO 0.06 0.36 1.09 -1.25 0.02 0.00 0.00 175.26 175.54 1x5o s PRO 103 N -2.50 0.31 -0.30 0.39 0.04 -1.26 -4.92 135.00 126.75 1x5o s PRO 103 Ca 0.45 0.48 -0.20 0.00 0.04 0.00 0.00 61.00 61.77 1x5o s PRO 103 Cb -0.13 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 1x5o s PRO 103 CO 0.20 -2.81 0.61 -0.51 0.04 0.00 0.00 177.00 174.54 1x5o s LEU 104 N -6.50 4.15 -0.23 -3.56 1.43 -0.75 -4.64 118.68 108.58 1x5o s LEU 104 Ca 0.66 0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 54.02 1x5o s LEU 104 Cb -0.19 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1x5o s LEU 104 CO 0.58 -0.46 0.35 -0.22 0.23 0.00 0.00 176.35 176.82 1x5o s LEU 105 N 2.57 4.11 -0.01 1.79 2.96 -1.17 -2.82 118.68 126.11 1x5o s LEU 105 Ca 0.24 0.36 0.08 0.00 -0.22 0.00 0.00 54.13 54.59 1x5o s LEU 105 Cb -0.15 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 1x5o s LEU 105 CO 0.12 -0.09 -0.24 0.00 -1.32 0.00 0.00 176.35 174.82 1x5o s LYS 107 N -0.68 0.67 -0.44 0.00 -2.85 -0.67 -4.96 119.74 110.82 1x5o s LYS 107 Ca 0.09 1.17 -0.43 0.00 -1.00 0.00 0.00 55.97 55.81 1x5o s LYS 107 Cb -0.09 0.13 -0.17 0.00 -2.06 0.00 0.00 37.83 35.63 1x5o s LYS 107 CO -0.00 -0.15 1.95 1.19 0.10 0.00 0.00 175.35 178.44 1x5o n PHE 108 N 4.27 1.53 -2.52 1.78 3.72 -1.26 -1.36 117.46 123.63 1x5o n PHE 108 Ca -0.20 0.74 -0.35 0.00 -0.05 0.00 0.00 57.45 57.58 1x5o n PHE 108 Cb 0.58 -2.34 -0.03 0.00 -0.94 0.00 0.00 39.48 36.74 1x5o n PHE 108 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x5o s SER 109 N 5.09 6.53 1.00 4.37 0.15 -1.03 -4.80 113.70 125.01 1x5o s SER 109 Ca 1.11 2.02 -0.15 0.00 0.70 0.00 0.00 55.95 59.62 1x5o s SER 109 Cb -1.32 -2.58 0.20 0.00 -1.71 0.00 0.00 66.02 60.61 1x5o s SER 109 CO 0.67 -0.65 1.21 -0.83 1.20 0.00 0.00 173.24 174.83 1x5o s GLY 110 N -1.72 1.66 0.56 9.45 0.00 -1.26 -4.59 107.32 111.42 1x5o s GLY 110 Ca 0.62 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 44.25 1x5o s GLY 110 CO 0.25 -0.19 1.13 2.56 0.00 0.00 0.00 173.10 176.85 1x5o s PRO 111 N -5.57 3.28 0.05 2.90 0.04 -1.22 -4.91 135.00 129.57 1x5o s PRO 111 Ca 0.69 1.58 -0.38 0.00 0.04 0.00 0.00 61.00 62.93 1x5o s PRO 111 Cb -0.09 -2.00 -0.19 0.00 0.04 0.00 0.00 34.50 32.27 1x5o s PRO 111 CO 0.54 -0.91 1.11 0.43 0.04 0.00 0.00 177.00 178.21 1x5o n SER 112 N -1.47 0.44 -4.58 6.66 7.64 -1.26 -4.77 113.62 116.28 1x5o n SER 112 Ca 0.11 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 60.73 1x5o n SER 112 Cb 0.51 -1.02 -0.03 0.00 -1.01 0.00 0.00 64.21 62.67 1x5o n SER 112 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5o s SER 113 N 0.06 5.62 0.00 6.43 0.01 -1.26 -5.21 113.70 119.34 1x5o s SER 113 Ca 0.86 0.97 0.21 0.00 1.31 0.00 0.00 55.95 59.30 1x5o s SER 113 Cb -1.13 -2.53 1.28 0.00 0.21 0.00 0.00 66.02 63.85 1x5o s SER 113 CO 0.54 -1.98 1.66 0.61 0.41 0.00 0.00 173.24 174.47