#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5o s SER 2 N 0.00 7.36 -0.24 1.61 0.15 -1.26 -5.03 113.70 116.30 1x5o s SER 2 Ca 0.00 1.82 -0.27 0.00 0.70 0.00 0.00 55.95 58.21 1x5o s SER 2 Cb 0.00 -2.58 0.12 0.00 -1.71 0.00 0.00 66.02 61.85 1x5o s SER 2 CO 0.00 -0.21 0.99 -0.55 1.20 0.00 0.00 173.24 174.67 1x5o s SER 3 N 0.48 -0.45 0.00 5.45 0.15 -1.26 -5.16 113.70 112.92 1x5o s SER 3 Ca 0.51 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1x5o s SER 3 Cb -0.24 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1x5o s SER 3 CO 0.30 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1x5o n GLY 4 N 1.80 0.45 3.13 9.45 0.00 -1.26 -5.18 105.19 113.58 1x5o n GLY 4 Ca -0.12 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 -0.21 0.47 1.61 0.15 -1.26 -5.17 113.70 109.29 1x5o s SER 5 Ca 0.00 0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.99 1x5o s SER 5 Cb 0.00 0.44 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1x5o s SER 5 CO 0.00 -0.15 0.71 -0.55 1.20 0.00 0.00 173.24 174.44 1x5o s SER 6 N -0.20 5.87 -0.20 5.45 0.15 -1.26 -5.09 113.70 118.42 1x5o s SER 6 Ca -0.03 0.42 -0.05 0.00 0.70 0.00 0.00 55.95 56.99 1x5o s SER 6 Cb -0.03 -1.66 -0.02 0.00 -1.71 0.00 0.00 66.02 62.60 1x5o s SER 6 CO 0.01 -0.71 -0.01 -0.83 1.20 0.00 0.00 173.24 172.90 1x5o s GLY 7 N -4.21 1.69 1.28 9.45 0.00 -1.26 -5.11 107.32 109.17 1x5o s GLY 7 Ca 0.48 -1.03 -0.20 0.00 0.00 0.00 0.00 44.72 43.98 1x5o s GLY 7 CO 0.39 0.28 1.04 0.48 0.00 0.00 0.00 173.10 175.29 1x5o s LEU 8 N 1.11 0.06 -0.02 0.66 -0.00 -1.26 -5.02 118.68 114.21 1x5o s LEU 8 Ca 0.02 0.78 -0.12 0.00 -0.00 0.00 0.00 54.13 54.82 1x5o s LEU 8 Cb -0.14 -2.42 -0.05 0.00 -0.00 0.00 0.00 46.19 43.57 1x5o s LEU 8 CO 0.01 -4.57 0.34 -0.54 -0.00 0.00 0.00 176.35 171.59 1x5o s LYS 9 N -5.21 3.77 -0.25 1.48 3.01 -1.26 -5.08 119.74 116.20 1x5o s LYS 9 Ca 0.70 0.23 -0.02 0.00 -1.01 0.00 0.00 55.97 55.87 1x5o s LYS 9 Cb -0.12 -3.18 0.14 0.00 -1.01 0.00 0.00 37.83 33.66 1x5o s LYS 9 CO 0.57 0.69 0.39 0.00 0.51 0.00 0.00 175.35 177.51 1x5o s ALA 10 N -1.12 -1.13 0.41 5.17 0.00 -1.26 -5.16 121.76 118.67 1x5o s ALA 10 Ca 0.23 0.78 0.04 0.00 0.00 0.00 0.00 51.96 53.02 1x5o s ALA 10 Cb -0.15 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 1x5o s ALA 10 CO 0.12 -1.36 0.04 -1.54 0.00 0.00 0.00 175.76 173.02 1x5o s SER 11 N 2.55 3.38 0.00 0.00 1.04 -1.26 -5.10 113.70 114.30 1x5o s SER 11 Ca 0.12 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1x5o s SER 11 Cb -0.15 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1x5o s SER 11 CO -0.19 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1x5o n GLY 12 N -0.96 -0.41 3.72 7.32 0.00 -1.26 -5.13 105.19 108.47 1x5o n GLY 12 Ca -0.08 0.62 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 1x5o n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5o s VAL 13 N 0.00 4.51 -0.10 1.61 1.01 -1.26 -4.96 120.40 121.22 1x5o s VAL 13 Ca 0.00 1.99 -0.10 0.00 0.00 0.00 0.00 61.98 63.87 1x5o s VAL 13 Cb 0.00 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1x5o s VAL 13 CO 0.00 0.26 -0.21 0.00 0.00 0.00 0.00 175.10 175.15 1x5o n GLN 14 N 3.11 0.33 -4.09 2.72 6.02 -1.26 -5.00 117.38 119.21 1x5o n GLN 14 Ca 0.04 0.14 -0.30 0.00 -0.01 0.00 0.00 57.00 56.86 1x5o n GLN 14 Cb 0.49 -1.08 -0.16 0.00 1.02 0.00 0.00 30.24 30.51 1x5o n GLN 14 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x5o s ALA 15 N -2.49 1.83 -0.80 -1.58 0.00 -1.26 -5.08 121.76 112.38 1x5o s ALA 15 Ca -0.19 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 1x5o s ALA 15 Cb 0.04 -1.02 0.21 0.00 0.00 0.00 0.00 23.12 22.35 1x5o s ALA 15 CO 0.27 -0.33 0.74 -1.14 0.00 0.00 0.00 175.76 175.30 1x5o s GLN 16 N 1.41 3.52 -0.14 0.00 -0.44 -1.26 -4.98 119.66 117.76 1x5o s GLN 16 Ca 0.03 -2.41 -0.33 0.00 -2.50 0.00 0.00 55.36 50.14 1x5o s GLN 16 Cb -0.13 -4.39 0.13 0.00 -1.64 0.00 0.00 33.01 26.98 1x5o s GLN 16 CO -0.09 -1.29 1.14 0.00 0.50 0.00 0.00 175.29 175.55 1x5o s MET 17 N 0.25 0.43 -0.06 1.67 0.23 -1.26 -5.10 119.30 115.46 1x5o s MET 17 Ca 0.17 -0.16 -0.06 0.00 -1.03 0.00 0.00 55.69 54.61 1x5o s MET 17 Cb -0.12 0.19 -0.02 0.00 -1.53 0.00 0.00 34.83 33.35 1x5o s MET 17 CO -0.08 -0.19 -0.11 0.00 -2.03 0.00 0.00 175.02 172.61 1x5o n ALA 18 N -0.15 0.39 -1.77 3.16 0.00 -1.26 -5.00 120.51 115.88 1x5o n ALA 18 Ca -0.02 -0.43 -0.35 0.00 0.00 0.00 0.00 53.44 52.65 1x5o n ALA 18 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.63 3.37 -0.22 0.00 1.02 -1.26 -5.02 119.74 116.00 1x5o s LYS 19 Ca -0.09 1.60 -0.11 0.00 0.02 0.00 0.00 55.97 57.39 1x5o s LYS 19 Cb 0.01 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1x5o s LYS 19 CO 0.14 -0.83 0.18 1.14 -0.92 0.00 0.00 175.35 175.05 1x5o s GLN 20 N -3.28 4.12 0.30 1.68 0.00 -1.26 -5.09 119.66 116.13 1x5o s GLN 20 Ca 0.73 -0.20 0.09 0.00 -0.00 0.00 0.00 55.36 55.97 1x5o s GLN 20 Cb -0.24 -3.50 -0.04 0.00 0.00 0.00 0.00 33.01 29.23 1x5o s GLN 20 CO 0.27 0.13 0.09 -1.14 0.00 0.00 0.00 175.29 174.64 1x5o s GLN 21 N 0.85 2.41 -0.44 9.60 0.74 -1.26 -5.03 119.66 126.53 1x5o s GLN 21 Ca 0.09 -1.44 -0.41 0.00 0.05 0.00 0.00 55.36 53.65 1x5o s GLN 21 Cb -0.13 -2.22 -0.18 0.00 1.10 0.00 0.00 33.01 31.59 1x5o s GLN 21 CO 0.03 0.25 1.42 0.39 -0.55 0.00 0.00 175.29 176.83 1x5o n GLU 22 N -1.06 0.00 -2.87 1.67 -0.58 -1.26 -4.89 120.64 111.65 1x5o n GLU 22 Ca -0.05 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.39 1x5o n GLU 22 Cb 0.60 -1.32 -0.03 0.00 -0.57 0.00 0.00 31.44 30.12 1x5o n GLU 22 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1x5o s GLN 23 N 2.73 3.76 -0.63 3.49 0.00 -1.26 -4.84 119.66 122.90 1x5o s GLN 23 Ca 0.93 0.43 0.05 0.00 -0.00 0.00 0.00 55.36 56.77 1x5o s GLN 23 Cb -1.32 -2.40 0.16 0.00 0.00 0.00 0.00 33.01 29.45 1x5o s GLN 23 CO 0.72 -0.03 0.44 -0.51 0.00 0.00 0.00 175.29 175.91 1x5o s ASP 24 N -3.20 4.24 0.00 12.60 1.01 -1.24 -4.88 116.67 125.20 1x5o s ASP 24 Ca 0.51 -3.61 0.11 0.00 0.71 0.00 0.00 52.55 50.27 1x5o s ASP 24 Cb -0.10 -1.44 0.67 0.00 1.01 0.00 0.00 42.92 43.06 1x5o s ASP 24 CO 0.32 -0.12 1.10 -0.81 0.21 0.00 0.00 175.17 175.88 1x5o n PRO 25 N 2.27 0.49 -0.08 8.23 -0.04 -1.26 -3.11 135.00 141.50 1x5o n PRO 25 Ca 0.19 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1x5o n PRO 25 Cb 0.37 -1.36 0.10 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.27 -4.26 0.52 1.35 -1.91 -3.42 112.91 106.45 1x5o h THR 26 Ca 0.00 -1.31 -0.49 0.00 -0.55 0.00 0.00 66.41 64.06 1x5o h THR 26 Cb 0.00 1.19 0.04 0.00 -1.73 0.00 0.00 68.15 67.66 1x5o h THR 26 CO 0.00 0.44 0.39 0.54 -0.25 0.00 0.00 175.52 176.64 1x5o s ASN 27 N -6.75 6.30 -0.05 5.36 4.22 -1.18 -0.94 114.94 121.90 1x5o s ASN 27 Ca -0.09 1.54 0.04 0.00 -2.14 0.00 0.00 52.86 52.21 1x5o s ASN 27 Cb 0.13 -2.50 0.00 0.00 1.28 0.00 0.00 41.25 40.17 1x5o s ASN 27 CO 0.83 -0.82 -0.15 -0.76 -2.04 0.00 0.00 177.10 174.16 1x5o s LEU 28 N -4.63 1.84 -0.67 3.54 1.43 -0.45 -3.84 118.68 115.89 1x5o s LEU 28 Ca 0.58 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 53.11 1x5o s LEU 28 Cb -0.11 -0.92 0.06 0.00 0.03 0.00 0.00 46.19 45.25 1x5o s LEU 28 CO 0.42 0.11 1.03 -0.47 0.23 0.00 0.00 176.35 177.67 1x5o s TYR 29 N 0.25 2.60 -0.14 0.29 6.14 -0.50 -3.58 117.35 122.40 1x5o s TYR 29 Ca -0.08 -0.44 -0.03 0.00 0.64 0.00 0.00 57.07 57.16 1x5o s TYR 29 Cb -0.13 -4.36 -0.03 0.00 0.42 0.00 0.00 41.96 37.87 1x5o s TYR 29 CO 0.03 -1.73 -0.04 0.42 0.64 0.00 0.00 175.55 174.86 1x5o s ILE 30 N 4.40 3.86 0.20 3.14 1.01 -1.00 -1.99 121.20 130.81 1x5o s ILE 30 Ca 0.25 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1x5o s ILE 30 Cb -0.15 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 1x5o s ILE 30 CO 0.11 0.51 0.09 -1.20 0.00 0.00 0.00 174.94 174.46 1x5o n SER 31 N 3.33 0.72 -2.94 3.58 7.64 -0.85 -0.80 113.62 124.30 1x5o n SER 31 Ca -0.18 -2.10 -0.20 0.00 1.01 0.00 0.00 58.87 57.40 1x5o n SER 31 Cb 0.53 0.60 0.05 0.00 -1.01 0.00 0.00 64.21 64.38 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 -1.93 -5.75 -4.92 6.43 4.13 0.22 -3.24 115.26 110.19 1x5o n ASN 32 Ca -0.01 -0.35 -0.29 0.00 1.68 0.00 0.00 54.58 55.61 1x5o n ASN 32 Cb 0.31 -4.49 -0.04 0.00 -1.54 0.00 0.00 39.78 34.03 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 -6.25 4.24 0.27 3.41 1.43 0.30 -4.69 118.68 117.38 1x5o s LEU 33 Ca 0.38 0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 53.64 1x5o s LEU 33 Cb -0.17 -3.20 -0.10 0.00 0.03 0.00 0.00 46.19 42.75 1x5o s LEU 33 CO 0.47 -0.01 1.25 -2.16 0.23 0.00 0.00 176.35 176.14 1x5o s PRO 34 N -3.11 4.44 0.44 1.29 0.04 -1.26 -4.02 135.00 132.82 1x5o s PRO 34 Ca 0.39 2.05 0.28 0.00 0.04 0.00 0.00 61.00 63.76 1x5o s PRO 34 Cb -0.11 -3.15 1.52 0.00 0.04 0.00 0.00 34.50 32.80 1x5o s PRO 34 CO 0.28 -0.11 1.85 -0.07 0.04 0.00 0.00 177.00 178.99 1x5o h LEU 35 N 4.21 0.00 -1.81 -3.56 3.38 -1.91 0.29 115.31 115.91 1x5o h LEU 35 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 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 0.70 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 178.03 1x5o n SER 36 N -2.51 2.63 -4.76 -0.43 7.64 -1.26 -4.55 113.62 110.39 1x5o n SER 36 Ca -0.02 -1.99 -0.34 0.00 1.01 0.00 0.00 58.87 57.53 1x5o n SER 36 Cb 0.09 -0.32 0.04 0.00 -1.01 0.00 0.00 64.21 63.01 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 -1.36 2.87 0.02 1.43 0.00 0.10 -5.00 119.30 117.36 1x5o s MET 37 Ca 0.33 1.59 0.01 0.00 0.00 0.00 0.00 55.69 57.62 1x5o s MET 37 Cb 0.17 -1.94 -0.01 0.00 0.00 0.00 0.00 34.83 33.05 1x5o s MET 37 CO 0.23 -1.24 -0.04 0.16 0.00 0.00 0.00 175.02 174.14 1x5o s ASP 38 N -2.09 0.37 0.52 1.11 1.47 -1.26 -5.01 116.67 111.77 1x5o s ASP 38 Ca 0.72 -0.34 0.47 0.00 1.18 0.00 0.00 52.55 54.57 1x5o s ASP 38 Cb -0.25 0.04 1.62 0.00 -0.34 0.00 0.00 42.92 43.99 1x5o s ASP 38 CO 0.37 -0.16 1.46 -0.62 0.68 0.00 0.00 175.17 176.89 1x5o n GLU 39 N 2.10 -0.00 0.19 2.11 4.71 -1.26 0.67 120.64 129.16 1x5o n GLU 39 Ca -0.19 1.02 -0.13 0.00 -0.01 0.00 0.00 57.16 57.84 1x5o n GLU 39 Cb 0.57 -2.34 -0.08 0.00 -1.01 0.00 0.00 31.44 28.58 1x5o n GLU 39 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1x5o h GLN 40 N 0.00 -0.49 0.09 3.49 4.15 -1.98 -3.03 115.11 117.34 1x5o h GLN 40 Ca 0.88 0.03 0.02 0.00 0.77 0.00 0.00 58.65 60.35 1x5o h GLN 40 Cb 3.51 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 31.28 1x5o h GLN 40 CO -0.02 -0.18 -0.22 1.49 -1.93 0.00 0.00 178.83 177.97 1x5o h GLU 41 N -0.84 -0.38 -1.42 1.69 4.57 -0.16 0.29 114.58 118.32 1x5o h GLU 41 Ca -0.05 0.03 0.41 0.00 -1.18 0.00 0.00 59.36 58.57 1x5o h GLU 41 Cb 0.54 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.15 1x5o h GLU 41 CO 0.09 -0.26 1.02 1.25 -1.18 0.00 0.00 179.01 179.93 1x5o h LEU 42 N -0.40 0.01 0.10 1.64 5.85 -1.49 0.36 115.31 121.38 1x5o h LEU 42 Ca 0.03 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.41 1x5o h LEU 42 Cb 0.43 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1x5o h LEU 42 CO -0.14 -0.00 -1.97 1.21 -0.34 0.00 0.00 178.44 177.20 1x5o n GLU 43 N -4.13 0.73 -0.25 1.25 2.13 -0.44 -3.77 120.64 116.16 1x5o n GLU 43 Ca 0.31 0.26 0.15 0.00 0.66 0.00 0.00 57.16 58.55 1x5o n GLU 43 Cb 1.47 -1.72 0.44 0.00 0.27 0.00 0.00 31.44 31.91 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 0.06 0.53 0.62 4.31 2.35 0.33 1.19 115.58 124.97 1x5o h ASN 44 Ca -0.41 0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.21 1x5o h ASN 44 Cb 2.03 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 40.32 1x5o h ASN 44 CO 0.08 0.25 -0.81 0.00 -1.65 0.00 0.00 177.43 175.30 1x5o h MET 45 N 0.55 0.14 -0.02 0.81 -0.00 -1.45 -3.09 114.93 111.87 1x5o h MET 45 Ca 0.45 -0.14 0.00 0.00 -0.00 0.00 0.00 59.70 60.01 1x5o h MET 45 Cb 0.91 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.55 1x5o h MET 45 CO -0.19 0.87 -0.07 1.28 -0.00 0.00 0.00 176.91 178.80 1x5o n LEU 46 N -3.67 1.96 0.34 -0.10 4.77 0.36 -4.36 117.00 116.30 1x5o n LEU 46 Ca -0.02 -0.65 -0.14 0.00 -0.03 0.00 0.00 56.01 55.17 1x5o n LEU 46 Cb 0.76 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.77 1x5o n LEU 46 CO 0.46 0.33 0.36 0.11 -1.33 0.00 0.00 177.39 177.32 1x5o h LYS 47 N 2.96 -0.87 0.00 3.23 1.57 0.14 -2.33 116.57 121.28 1x5o h LYS 47 Ca 0.00 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1x5o h LYS 47 Cb 0.68 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1x5o h LYS 47 CO 0.00 -0.58 0.00 -0.35 -0.57 0.00 0.00 179.45 177.95 1x5o n PRO 48 N -5.37 0.49 -0.12 3.15 -0.04 -1.26 -2.66 135.00 129.19 1x5o n PRO 48 Ca -0.11 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.16 1x5o n PRO 48 Cb 0.36 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.06 -3.98 0.54 3.01 -1.15 -5.10 117.46 109.98 1x5o n PHE 49 Ca 0.09 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1x5o n PHE 49 Cb 0.04 -1.01 0.00 0.00 -0.01 0.00 0.00 39.48 38.50 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 2.19 0.40 3.60 1.37 0.00 -0.89 -4.98 105.19 106.88 1x5o n GLY 50 Ca -0.46 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 3.61 -0.15 1.61 2.00 -1.26 -4.44 119.66 119.03 1x5o s GLN 51 Ca 0.03 0.79 -0.29 0.00 -2.00 0.00 0.00 55.36 53.89 1x5o s GLN 51 Cb -0.00 -3.99 -0.01 0.00 0.80 0.00 0.00 33.01 29.81 1x5o s GLN 51 CO -0.00 -1.53 1.15 0.08 -0.50 0.00 0.00 175.29 174.49 1x5o s VAL 52 N 5.15 4.46 -0.14 1.34 1.01 -1.26 -2.54 120.40 128.42 1x5o s VAL 52 Ca 0.57 1.76 -0.11 0.00 0.00 0.00 0.00 61.98 64.20 1x5o s VAL 52 Cb -0.11 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 1x5o s VAL 52 CO 0.32 -0.09 0.05 0.40 0.00 0.00 0.00 175.10 175.78 1x5o h ILE 53 N 5.30 0.36 -2.66 2.22 1.08 -1.66 -3.49 117.51 118.66 1x5o h ILE 53 Ca -0.27 -1.35 -0.10 0.00 -0.39 0.00 0.00 64.86 62.75 1x5o h ILE 53 Cb 1.11 0.76 -0.20 0.00 -3.07 0.00 0.00 36.82 35.42 1x5o h ILE 53 CO 0.93 0.12 -0.12 -0.44 -0.69 0.00 0.00 178.15 177.96 1x5o s SER 54 N -5.93 -0.37 0.01 1.72 0.01 -1.23 -4.98 113.70 102.93 1x5o s SER 54 Ca -0.13 0.38 0.03 0.00 1.31 0.00 0.00 55.95 57.53 1x5o s SER 54 Cb 0.02 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 1x5o s SER 54 CO 0.27 -0.47 -0.08 0.42 0.41 0.00 0.00 173.24 173.79 1x5o s THR 55 N -1.12 0.65 0.02 1.44 -4.23 -1.26 -0.46 115.64 110.69 1x5o s THR 55 Ca -0.11 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1x5o s THR 55 Cb -0.03 -0.58 -0.02 0.00 1.34 0.00 0.00 72.50 73.21 1x5o s THR 55 CO 0.06 0.07 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.59 1x5o s ARG 56 N -0.51 0.30 -0.21 3.99 3.52 0.12 -4.99 118.95 121.16 1x5o s ARG 56 Ca 0.01 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.08 1x5o s ARG 56 Cb -0.05 0.11 0.06 0.00 -1.56 0.00 0.00 34.95 33.51 1x5o s ARG 56 CO 0.00 -0.05 -0.03 0.42 -0.81 0.00 0.00 175.30 174.83 1x5o s ILE 57 N -1.30 1.15 0.56 4.11 -1.09 -1.26 -0.04 121.20 123.33 1x5o s ILE 57 Ca -0.14 -0.93 -0.20 0.00 -2.23 0.00 0.00 60.65 57.15 1x5o s ILE 57 Cb -0.09 -1.48 -0.06 0.00 -1.58 0.00 0.00 42.46 39.24 1x5o s ILE 57 CO -0.01 -0.10 0.92 0.18 -1.23 0.00 0.00 174.94 174.70 1x5o n LEU 58 N 4.82 3.14 -4.33 2.97 4.77 -0.98 -4.91 117.00 122.48 1x5o n LEU 58 Ca -0.11 0.84 -0.18 0.00 -0.03 0.00 0.00 56.01 56.53 1x5o n LEU 58 Cb 0.45 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.09 1x5o n LEU 58 CO 0.16 -1.92 -0.44 -0.13 -1.33 0.00 0.00 177.39 173.73 1x5o s ARG 59 N -2.53 1.30 0.66 3.23 0.52 -1.26 -1.99 118.95 118.88 1x5o s ARG 59 Ca 0.72 -1.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.34 1x5o s ARG 59 Cb -0.45 -1.10 0.06 0.00 0.52 0.00 0.00 34.95 33.99 1x5o s ARG 59 CO 0.50 0.18 0.95 0.34 0.02 0.00 0.00 175.30 177.29 1x5o s ASP 60 N -3.23 4.86 0.16 0.23 2.15 0.27 -4.75 116.67 116.35 1x5o s ASP 60 Ca 0.21 0.22 -0.30 0.00 0.43 0.00 0.00 52.55 53.11 1x5o s ASP 60 Cb -0.01 -0.90 -0.04 0.00 -0.30 0.00 0.00 42.92 41.66 1x5o s ASP 60 CO 0.06 -1.51 1.54 -1.28 -0.17 0.00 0.00 175.17 173.81 1x5o h SER 61 N -0.41 -2.04 0.25 -0.34 0.87 -2.00 1.22 113.55 111.10 1x5o h SER 61 Ca -0.43 0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1x5o h SER 61 Cb 1.30 0.90 -0.00 0.00 -0.44 0.00 0.00 62.40 64.16 1x5o h SER 61 CO 0.55 -0.27 -0.07 -1.28 -0.53 0.00 0.00 176.83 175.24 1x5o h SER 62 N -0.07 0.00 0.00 6.23 0.87 -2.04 -3.45 113.55 115.09 1x5o h SER 62 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1x5o h SER 62 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1x5o h SER 62 CO -0.88 0.07 0.00 0.61 -0.53 0.00 0.00 176.83 176.09 1x5o n GLY 63 N -0.88 1.69 3.48 5.77 0.00 0.42 -5.12 105.19 110.55 1x5o n GLY 63 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 3.94 0.23 2.61 2.01 -1.23 -4.61 115.64 116.58 1x5o s THR 64 Ca 0.00 -0.33 -0.22 0.00 0.31 0.00 0.00 61.69 61.45 1x5o s THR 64 Cb 0.00 -2.75 -0.14 0.00 0.01 0.00 0.00 72.50 69.62 1x5o s THR 64 CO 0.00 0.47 0.33 -0.24 -0.69 0.00 0.00 174.62 174.48 1x5o n SER 65 N 3.82 -1.51 -1.83 3.53 2.88 -1.26 0.94 113.62 120.19 1x5o n SER 65 Ca -0.17 0.88 -0.08 0.00 -1.33 0.00 0.00 58.87 58.17 1x5o n SER 65 Cb 0.52 -0.79 0.27 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.95 3.14 -2.32 -1.46 1.74 -0.84 -4.61 116.66 113.24 1x5o n ARG 66 Ca 0.14 -3.07 -0.20 0.00 -0.77 0.00 0.00 57.85 53.95 1x5o n ARG 66 Cb 0.25 -2.13 -0.02 0.00 -1.02 0.00 0.00 32.46 29.55 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 -0.50 -0.27 2.94 -0.13 0.00 -1.26 -4.86 105.19 101.11 1x5o n GLY 67 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.96 0.03 -0.04 1.61 1.01 -1.26 -0.54 120.40 118.25 1x5o s VAL 68 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1x5o s VAL 68 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.26 1x5o s VAL 68 CO 0.00 -0.14 0.21 -0.83 0.00 0.00 0.00 175.10 174.34 1x5o s GLY 69 N -0.41 -0.09 -0.08 4.51 0.00 0.02 -2.30 107.32 108.97 1x5o s GLY 69 Ca -0.05 0.28 0.04 0.00 0.00 0.00 0.00 44.72 45.00 1x5o s GLY 69 CO -0.00 0.15 -0.21 -1.36 0.00 0.00 0.00 173.10 171.68 1x5o s PHE 70 N -0.76 2.57 -0.03 1.90 0.40 0.94 -2.39 117.98 120.62 1x5o s PHE 70 Ca -0.08 -0.66 0.02 0.00 -0.60 0.00 0.00 56.93 55.61 1x5o s PHE 70 Cb -0.05 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.82 1x5o s PHE 70 CO 0.02 -0.18 -0.09 0.00 0.70 0.00 0.00 175.22 175.67 1x5o s ALA 71 N -0.08 0.88 -0.46 5.36 0.00 -1.23 0.12 121.76 126.34 1x5o s ALA 71 Ca -0.05 -0.33 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 1x5o s ALA 71 Cb -0.14 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1x5o s ALA 71 CO 0.04 0.14 0.47 0.50 0.00 0.00 0.00 175.76 176.91 1x5o s ARG 72 N 0.23 3.05 0.41 0.00 3.52 0.40 -1.34 118.95 125.21 1x5o s ARG 72 Ca -0.04 -1.03 -0.23 0.00 -0.13 0.00 0.00 55.73 54.31 1x5o s ARG 72 Cb -0.09 -4.06 -0.10 0.00 -1.56 0.00 0.00 34.95 29.14 1x5o s ARG 72 CO 0.01 -1.01 1.00 -1.64 -0.81 0.00 0.00 175.30 172.85 1x5o s MET 73 N 2.07 4.18 0.43 5.12 -1.94 -0.12 -1.69 119.30 127.34 1x5o s MET 73 Ca 0.10 1.35 0.27 0.00 -1.71 0.00 0.00 55.69 55.70 1x5o s MET 73 Cb -0.20 -2.41 1.36 0.00 2.01 0.00 0.00 34.83 35.59 1x5o s MET 73 CO 0.10 -0.10 1.65 1.05 -0.01 0.00 0.00 175.02 177.71 1x5o h GLU 74 N 2.28 0.14 -1.96 2.03 4.11 -1.81 -3.43 114.58 115.94 1x5o h GLU 74 Ca -0.48 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.04 1x5o h GLU 74 Cb 1.20 -0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.24 1x5o h GLU 74 CO 0.62 0.09 0.52 0.45 0.07 0.00 0.00 179.01 180.76 1x5o s SER 75 N -4.64 -0.37 0.25 3.06 0.15 -1.26 -5.04 113.70 105.86 1x5o s SER 75 Ca -0.08 0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.73 1x5o s SER 75 Cb 0.29 0.35 0.51 0.00 -1.71 0.00 0.00 66.02 65.46 1x5o s SER 75 CO 0.81 -0.50 1.72 0.74 1.20 0.00 0.00 173.24 177.22 1x5o h THR 76 N 2.25 0.61 -1.38 6.45 2.02 -1.82 -0.23 112.91 120.81 1x5o h THR 76 Ca -0.20 -0.15 0.47 0.00 0.77 0.00 0.00 66.41 67.30 1x5o h THR 76 Cb 1.20 0.14 -0.13 0.00 -1.74 0.00 0.00 68.15 67.63 1x5o h THR 76 CO 0.31 0.08 0.90 1.21 0.37 0.00 0.00 175.52 178.38 1x5o n GLU 77 N -5.02 -0.03 -0.06 6.66 4.07 -1.26 0.34 120.64 125.35 1x5o n GLU 77 Ca 0.16 1.19 -0.12 0.00 -0.06 0.00 0.00 57.16 58.33 1x5o n GLU 77 Cb 0.46 -2.37 -0.11 0.00 -0.06 0.00 0.00 31.44 29.36 1x5o n GLU 77 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1x5o h LYS 78 N 0.00 -0.01 -0.75 5.31 1.79 -1.44 -3.33 116.57 118.13 1x5o h LYS 78 Ca 0.85 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 59.55 1x5o h LYS 78 Cb 2.81 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 33.32 1x5o h LYS 78 CO -0.41 0.79 0.08 0.00 -1.08 0.00 0.00 179.45 178.84 1x5o h GLU 80 N 0.00 0.04 -0.84 0.00 5.08 -1.60 0.14 114.58 117.39 1x5o h GLU 80 Ca 0.49 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 1x5o h GLU 80 Cb 1.07 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 1x5o h GLU 80 CO -0.69 0.03 0.46 0.00 -1.00 0.00 0.00 179.01 177.81 1x5o h ALA 81 N 1.56 1.08 0.65 3.43 0.00 0.12 0.49 119.26 126.58 1x5o h ALA 81 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1x5o h ALA 81 Cb 0.45 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1x5o h ALA 81 CO -0.56 0.59 -0.31 0.28 0.00 0.00 0.00 179.25 179.24 1x5o h VAL 82 N 1.17 0.00 -0.11 0.00 2.07 -0.63 -2.10 116.25 116.66 1x5o h VAL 82 Ca 0.30 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1x5o h VAL 82 Cb 0.03 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 1x5o h VAL 82 CO -0.05 0.00 -0.16 0.40 0.02 0.00 0.00 177.57 177.78 1x5o h ILE 83 N -0.99 0.59 -0.94 4.57 2.04 -0.83 1.07 117.51 123.01 1x5o h ILE 83 Ca -0.09 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.00 1x5o h ILE 83 Cb 0.67 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 1x5o h ILE 83 CO 0.15 0.00 0.63 1.23 0.00 0.00 0.00 178.15 180.16 1x5o h GLY 84 N -0.21 0.73 0.00 5.37 0.00 -0.95 -0.54 103.07 107.47 1x5o h GLY 84 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1x5o h GLY 84 CO -0.23 -0.03 0.00 1.57 0.00 0.00 0.00 176.54 177.85 1x5o n HIS 85 N -4.47 0.00 -0.35 5.60 -0.00 -0.53 -4.58 115.22 110.89 1x5o n HIS 85 Ca 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.89 1x5o n HIS 85 Cb 0.81 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.99 30.65 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 -2.26 -0.11 -1.09 1.57 3.01 0.36 -4.34 117.46 114.60 1x5o n PHE 86 Ca 0.00 1.09 -0.29 0.00 1.01 0.00 0.00 57.45 59.27 1x5o n PHE 86 Cb 0.00 -0.75 -0.12 0.00 -0.01 0.00 0.00 39.48 38.61 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 -5.24 0.09 -0.21 4.37 2.85 -0.21 0.23 115.26 117.14 1x5o n ASN 87 Ca 0.07 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1x5o n ASN 87 Cb 0.31 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.69 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 4.67 0.89 3.29 8.20 0.00 -1.22 -4.98 105.19 116.03 1x5o n GLY 88 Ca 0.48 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.52 1.42 -0.35 1.61 2.36 0.64 -4.91 119.74 116.99 1x5o s LYS 89 Ca 0.00 -1.05 -0.06 0.00 -2.55 0.00 0.00 55.97 52.31 1x5o s LYS 89 Cb 0.00 -1.61 0.05 0.00 -1.05 0.00 0.00 37.83 35.22 1x5o s LYS 89 CO 0.00 0.40 0.11 -0.06 1.55 0.00 0.00 175.35 177.36 1x5o s PHE 90 N -0.89 3.28 1.07 4.03 0.40 -1.26 -2.33 117.98 122.28 1x5o s PHE 90 Ca 0.09 -1.54 -0.17 0.00 -0.60 0.00 0.00 56.93 54.71 1x5o s PHE 90 Cb -0.09 -2.37 0.24 0.00 0.51 0.00 0.00 43.02 41.30 1x5o s PHE 90 CO 0.03 -0.76 1.22 0.96 0.70 0.00 0.00 175.22 177.37 1x5o s ILE 91 N 1.37 1.82 0.41 0.64 -4.36 -1.26 -5.09 121.20 114.73 1x5o s ILE 91 Ca -0.01 0.00 0.04 0.00 -0.26 0.00 0.00 60.65 60.42 1x5o s ILE 91 Cb -0.20 -2.76 0.04 0.00 1.25 0.00 0.00 42.46 40.78 1x5o s ILE 91 CO 0.02 0.00 0.33 2.29 0.24 0.00 0.00 174.94 177.82 1x5o n LYS 92 N -4.22 0.87 -4.08 0.37 -0.00 -1.26 -4.86 118.16 104.99 1x5o n LYS 92 Ca 0.14 -2.56 -0.10 0.00 -0.00 0.00 0.00 58.31 55.79 1x5o n LYS 92 Cb 0.59 0.25 -0.11 0.00 -0.00 0.00 0.00 35.03 35.76 1x5o n LYS 92 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1x5o s THR 93 N -2.02 0.41 1.01 0.58 -4.23 -1.26 -5.01 115.64 105.12 1x5o s THR 93 Ca 0.25 -1.41 -0.12 0.00 -1.18 0.00 0.00 61.69 59.22 1x5o s THR 93 Cb -0.02 -0.99 0.19 0.00 1.34 0.00 0.00 72.50 73.02 1x5o s THR 93 CO 0.16 -0.67 1.09 -2.16 -0.54 0.00 0.00 174.62 172.50 1x5o s PRO 94 N -2.63 0.34 -0.68 3.99 0.04 -1.26 -4.91 135.00 129.89 1x5o s PRO 94 Ca -0.02 0.49 -0.26 0.00 0.04 0.00 0.00 61.00 61.25 1x5o s PRO 94 Cb -0.02 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 1x5o s PRO 94 CO -0.04 -2.79 1.89 -1.25 0.04 0.00 0.00 177.00 174.85 1x5o s PRO 95 N -4.97 2.60 0.00 0.56 0.04 -1.26 -2.57 135.00 129.40 1x5o s PRO 95 Ca 0.65 0.39 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1x5o s PRO 95 Cb -0.19 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1x5o s PRO 95 CO 0.58 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 175.13 1x5o n GLY 96 N 5.98 0.16 3.21 0.56 0.00 -1.26 -5.14 105.19 108.70 1x5o n GLY 96 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.94 1.33 -0.21 1.61 1.01 -1.06 -5.12 120.40 117.01 1x5o s VAL 97 Ca 0.00 -1.32 -0.24 0.00 0.00 0.00 0.00 61.98 60.42 1x5o s VAL 97 Cb 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1x5o s VAL 97 CO 0.00 -0.11 0.79 -0.94 0.00 0.00 0.00 175.10 174.84 1x5o s SER 98 N -1.66 6.84 0.38 3.32 1.04 -1.26 -4.80 113.70 117.56 1x5o s SER 98 Ca 0.02 1.04 -0.27 0.00 0.48 0.00 0.00 55.95 57.22 1x5o s SER 98 Cb -0.10 -2.43 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 1x5o s SER 98 CO 0.03 -0.43 1.31 0.00 0.98 0.00 0.00 173.24 175.12 1x5o s ALA 99 N 2.46 3.34 1.12 5.32 0.00 -1.26 -4.85 121.76 127.89 1x5o s ALA 99 Ca 0.35 1.24 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 1x5o s ALA 99 Cb -0.16 -3.48 0.25 0.00 0.00 0.00 0.00 23.12 19.73 1x5o s ALA 99 CO 0.10 -0.76 1.10 -1.25 0.00 0.00 0.00 175.76 174.94 1x5o s PRO 100 N -2.10 -0.58 -0.00 0.00 0.04 -1.26 -5.02 135.00 126.08 1x5o s PRO 100 Ca 0.54 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.76 1x5o s PRO 100 Cb -0.39 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1x5o s PRO 100 CO 0.50 -3.34 0.01 2.41 0.04 0.00 0.00 177.00 176.63 1x5o n THR 101 N -4.54 0.02 -3.59 1.26 -1.04 -1.26 -5.04 114.28 100.08 1x5o n THR 101 Ca 0.10 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.05 61.80 1x5o n THR 101 Cb 0.59 -0.14 -0.03 0.00 -1.82 0.00 0.00 70.33 68.92 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 -2.04 3.57 0.31 -2.82 0.41 -1.26 -5.11 118.70 111.77 1x5o s GLU 102 Ca -0.00 -0.20 -0.05 0.00 -0.41 0.00 0.00 54.97 54.30 1x5o s GLU 102 Cb 0.00 -2.79 0.08 0.00 -1.78 0.00 0.00 34.13 29.64 1x5o s GLU 102 CO 0.03 0.36 0.28 -0.35 -0.49 0.00 0.00 175.26 175.09 1x5o n PRO 103 N -0.61 -1.56 -3.72 0.39 -0.04 -1.26 -4.92 135.00 123.28 1x5o n PRO 103 Ca -0.03 -0.45 -0.38 0.00 -0.04 0.00 0.00 63.50 62.60 1x5o n PRO 103 Cb 0.53 -0.42 -0.12 0.00 -0.04 0.00 0.00 33.50 33.46 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 4.70 -0.58 1.53 1.43 -0.98 -4.57 118.68 120.20 1x5o s LEU 104 Ca 0.18 -1.41 -0.27 0.00 -1.03 0.00 0.00 54.13 51.60 1x5o s LEU 104 Cb -0.02 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.35 1x5o s LEU 104 CO 0.14 -0.42 1.14 -0.22 0.23 0.00 0.00 176.35 177.22 1x5o s LEU 105 N 1.36 3.57 -0.04 1.79 2.96 -1.20 -3.46 118.68 123.66 1x5o s LEU 105 Ca 0.01 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1x5o s LEU 105 Cb -0.21 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 1x5o s LEU 105 CO 0.01 -1.44 -0.02 0.00 -1.32 0.00 0.00 176.35 173.58 1x5o s LYS 107 N -1.20 0.83 -0.82 0.00 -2.85 -0.84 -4.90 119.74 109.95 1x5o s LYS 107 Ca 0.16 1.00 -0.22 0.00 -1.00 0.00 0.00 55.97 55.92 1x5o s LYS 107 Cb -0.11 0.40 -0.19 0.00 -2.06 0.00 0.00 37.83 35.86 1x5o s LYS 107 CO 0.06 -0.10 2.38 1.19 0.10 0.00 0.00 175.35 178.97 1x5o n PHE 108 N 2.73 0.81 -0.12 1.78 3.72 -1.26 -1.41 117.46 123.71 1x5o n PHE 108 Ca -0.14 0.06 -0.03 0.00 -0.05 0.00 0.00 57.45 57.28 1x5o n PHE 108 Cb 0.55 -2.00 -0.03 0.00 -0.94 0.00 0.00 39.48 37.07 1x5o n PHE 108 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1x5o n SER 109 N 13.58 -0.30 0.00 4.37 7.64 -1.25 -4.89 113.62 132.77 1x5o n SER 109 Ca 0.53 1.00 0.00 0.00 1.01 0.00 0.00 58.87 61.41 1x5o n SER 109 Cb 0.32 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1x5o n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5o n GLY 110 N -1.07 -0.77 3.57 0.23 0.00 -1.26 -4.92 105.19 100.97 1x5o n GLY 110 Ca 0.01 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 1x5o n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5o s PRO 111 N 0.00 2.92 -0.50 1.61 0.04 -1.26 -3.60 135.00 134.20 1x5o s PRO 111 Ca 0.00 0.87 0.04 0.00 0.04 0.00 0.00 61.00 61.95 1x5o s PRO 111 Cb 0.00 -4.30 0.42 0.00 0.04 0.00 0.00 34.50 30.66 1x5o s PRO 111 CO 0.00 -2.38 1.35 0.45 0.04 0.00 0.00 177.00 176.46 1x5o n SER 112 N 11.68 5.45 -4.43 6.66 2.88 -1.26 -4.93 113.62 129.67 1x5o n SER 112 Ca 0.21 -3.75 -0.27 0.00 -1.33 0.00 0.00 58.87 53.72 1x5o n SER 112 Cb 0.50 -0.58 -0.12 0.00 -0.75 0.00 0.00 64.21 63.26 1x5o n SER 112 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5o s SER 113 N -2.99 3.48 0.00 -3.46 0.15 -1.26 -5.09 113.70 104.53 1x5o s SER 113 Ca 0.50 -0.82 0.04 0.00 0.70 0.00 0.00 55.95 56.38 1x5o s SER 113 Cb 0.42 -0.29 0.03 0.00 -1.71 0.00 0.00 66.02 64.47 1x5o s SER 113 CO -0.18 0.13 0.63 0.61 1.20 0.00 0.00 173.24 175.63