#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9y s SER 2 N 0.00 1.59 -0.36 1.61 0.15 -1.26 -5.07 113.70 110.36 2d9y s SER 2 Ca 0.00 -1.26 -0.16 0.00 0.70 0.00 0.00 55.95 55.22 2d9y s SER 2 Cb 0.00 0.06 -0.00 0.00 -1.71 0.00 0.00 66.02 64.37 2d9y s SER 2 CO 0.00 -0.59 0.42 -0.55 1.20 0.00 0.00 173.24 173.72 2d9y s SER 3 N -3.30 6.22 -0.19 5.45 0.15 -1.26 -4.66 113.70 116.10 2d9y s SER 3 Ca 0.31 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.65 2d9y s SER 3 Cb 0.07 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2d9y s SER 3 CO 0.10 -0.43 0.09 0.61 1.20 0.00 0.00 173.24 174.80 2d9y n GLY 4 N 4.95 -3.02 3.57 9.45 0.00 -1.26 -4.77 105.19 114.11 2d9y n GLY 4 Ca -0.08 0.29 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 2d9y n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9y s SER 5 N -1.17 3.97 -0.09 1.61 0.01 -1.26 -4.89 113.70 111.87 2d9y s SER 5 Ca 0.04 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.65 2d9y s SER 5 Cb -0.01 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2d9y s SER 5 CO 0.44 -4.03 -0.10 -0.94 0.41 0.00 0.00 173.24 169.03 2d9y s SER 6 N 9.09 4.36 0.94 2.44 1.04 -1.26 -4.98 113.70 125.32 2d9y s SER 6 Ca 0.83 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2d9y s SER 6 Cb -0.08 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.75 2d9y s SER 6 CO 0.12 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.23 2d9y n GLY 7 N 2.77 1.20 3.24 7.32 0.00 -1.26 -4.74 105.19 113.71 2d9y n GLY 7 Ca -0.18 -0.63 -0.06 0.00 0.00 0.00 0.00 46.02 45.15 2d9y n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d9y s ASN 8 N -4.00 -0.42 0.62 1.61 3.84 -1.26 -5.16 114.94 110.16 2d9y s ASN 8 Ca 0.00 0.91 -0.12 0.00 0.21 0.00 0.00 52.86 53.86 2d9y s ASN 8 Cb 0.00 1.55 -0.04 0.00 -0.55 0.00 0.00 41.25 42.22 2d9y s ASN 8 CO 0.00 -0.25 1.03 0.00 -2.79 0.00 0.00 177.10 175.09 2d9y s ALA 9 N 2.68 2.98 0.62 1.71 0.00 -1.26 -5.04 121.76 123.45 2d9y s ALA 9 Ca 0.03 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 2d9y s ALA 9 Cb -0.13 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 2d9y s ALA 9 CO -0.15 -0.73 1.12 -1.25 0.00 0.00 0.00 175.76 174.74 2d9y s PRO 10 N -4.88 2.98 0.22 0.00 0.04 -1.26 -5.02 135.00 127.08 2d9y s PRO 10 Ca 0.57 1.46 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2d9y s PRO 10 Cb -0.12 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 2d9y s PRO 10 CO 0.49 -1.12 0.84 0.54 0.04 0.00 0.00 177.00 177.79 2d9y s VAL 11 N -2.16 4.28 -0.19 -0.36 0.11 -1.26 -4.74 120.40 116.08 2d9y s VAL 11 Ca 0.69 1.78 -0.18 0.00 -2.93 0.00 0.00 61.98 61.34 2d9y s VAL 11 Cb -0.22 -4.14 -0.14 0.00 -1.53 0.00 0.00 36.38 30.35 2d9y s VAL 11 CO 0.37 0.42 0.10 0.74 -3.33 0.00 0.00 175.10 173.40 2d9y h THR 12 N 3.10 0.64 -3.16 5.04 2.02 -1.88 -3.50 112.91 115.18 2d9y h THR 12 Ca -0.47 -1.83 -0.10 0.00 0.77 0.00 0.00 66.41 64.79 2d9y h THR 12 Cb 1.20 1.56 -0.18 0.00 -1.74 0.00 0.00 68.15 68.99 2d9y h THR 12 CO 0.66 0.22 -0.22 -0.75 0.37 0.00 0.00 175.52 175.80 2d9y s LYS 13 N -2.32 0.79 -0.24 6.66 2.20 -1.19 -5.00 119.74 120.65 2d9y s LYS 13 Ca -0.25 -0.38 -0.20 0.00 -0.36 0.00 0.00 55.97 54.79 2d9y s LYS 13 Cb 0.05 0.35 0.06 0.00 -1.51 0.00 0.00 37.83 36.78 2d9y s LYS 13 CO 0.48 -0.25 0.62 0.00 -0.36 0.00 0.00 175.35 175.84 2d9y s ALA 14 N -2.18 -1.56 0.00 3.13 0.00 -1.26 0.12 121.76 120.00 2d9y s ALA 14 Ca -0.07 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2d9y s ALA 14 Cb -0.02 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.01 2d9y s ALA 14 CO -0.01 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2d9y n GLY 15 N 3.16 0.32 3.68 0.00 0.00 0.13 -5.00 105.19 107.48 2d9y n GLY 15 Ca -0.16 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 2d9y n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2d9y s TRP 16 N -2.00 3.27 -0.04 1.61 0.52 -1.26 -1.43 118.94 119.60 2d9y s TRP 16 Ca 0.00 1.35 0.01 0.00 0.02 0.00 0.00 56.10 57.49 2d9y s TRP 16 Cb 0.00 -3.33 0.02 0.00 -1.15 0.00 0.00 33.47 29.01 2d9y s TRP 16 CO 0.00 -0.87 -0.06 -0.51 0.02 0.00 0.00 176.95 175.54 2d9y s LEU 17 N 2.56 1.48 -0.34 2.99 1.43 -0.37 -4.75 118.68 121.68 2d9y s LEU 17 Ca 0.51 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.17 2d9y s LEU 17 Cb -0.20 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.56 2d9y s LEU 17 CO 0.16 -0.02 1.10 -0.36 0.23 0.00 0.00 176.35 177.46 2d9y s PHE 18 N 0.70 3.08 -0.17 0.29 0.40 -1.20 -2.40 117.98 118.68 2d9y s PHE 18 Ca -0.10 1.12 -0.19 0.00 -0.60 0.00 0.00 56.93 57.16 2d9y s PHE 18 Cb -0.13 -3.80 -0.03 0.00 0.51 0.00 0.00 43.02 39.57 2d9y s PHE 18 CO 0.01 -0.89 0.52 0.21 0.70 0.00 0.00 175.22 175.77 2d9y s LYS 19 N 3.79 4.25 0.26 0.44 2.20 0.97 -2.37 119.74 129.27 2d9y s LYS 19 Ca 0.46 0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 2d9y s LYS 19 Cb -0.12 -3.52 -0.10 0.00 -1.51 0.00 0.00 37.83 32.58 2d9y s LYS 19 CO 0.18 -0.05 1.50 -1.14 -0.36 0.00 0.00 175.35 175.48 2d9y s GLN 20 N 1.29 4.21 -0.95 4.03 0.74 -0.97 -2.20 119.66 125.81 2d9y s GLN 20 Ca 0.26 2.40 -0.23 0.00 0.05 0.00 0.00 55.36 57.84 2d9y s GLN 20 Cb -0.15 -3.08 0.07 0.00 1.10 0.00 0.00 33.01 30.94 2d9y s GLN 20 CO 0.10 -0.51 1.34 0.00 -0.55 0.00 0.00 175.29 175.68 2d9y s ALA 21 N 0.09 2.87 -0.03 1.58 0.00 0.10 -4.80 121.76 121.56 2d9y s ALA 21 Ca 0.61 -2.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.16 2d9y s ALA 21 Cb -0.44 -4.37 -0.32 0.00 0.00 0.00 0.00 23.12 17.99 2d9y s ALA 21 CO 0.44 -3.41 0.82 0.77 0.00 0.00 0.00 175.76 174.38 2d9y h SER 22 N 9.62 0.60 0.27 0.00 0.02 -1.85 -3.38 113.55 118.83 2d9y h SER 22 Ca 0.11 -0.92 -0.01 0.00 -0.84 0.00 0.00 61.79 60.13 2d9y h SER 22 Cb 1.02 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.37 2d9y h SER 22 CO 1.34 1.61 -0.13 0.77 -1.14 0.00 0.00 176.83 179.28 2d9y h SER 23 N -0.11 -0.31 -0.34 3.07 4.64 -1.99 -3.46 113.55 115.05 2d9y h SER 23 Ca -0.25 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2d9y h SER 23 Cb 1.92 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 2d9y h SER 23 CO 0.18 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 2d9y n GLY 24 N 0.02 -0.91 3.49 -0.77 0.00 -1.26 -5.02 105.19 100.74 2d9y n GLY 24 Ca -0.09 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 2d9y n GLY 24 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2d9y n VAL 25 N -0.38 0.00 -2.18 1.61 3.14 -1.26 -4.80 118.33 114.46 2d9y n VAL 25 Ca 0.00 -0.25 -0.31 0.00 -2.96 0.00 0.00 64.34 60.82 2d9y n VAL 25 Cb 0.00 -0.88 -0.05 0.00 -1.06 0.00 0.00 33.84 31.85 2d9y n VAL 25 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2d9y s LYS 26 N -4.21 2.82 0.33 1.45 1.02 -1.26 -4.62 119.74 115.27 2d9y s LYS 26 Ca 0.64 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 2d9y s LYS 26 Cb -0.22 -5.26 -0.00 0.00 -0.52 0.00 0.00 37.83 31.83 2d9y s LYS 26 CO 0.64 -3.47 0.45 1.14 -0.92 0.00 0.00 175.35 173.19 2d9y s GLN 27 N 6.12 1.85 -0.03 1.68 -2.07 -1.26 -5.03 119.66 120.92 2d9y s GLN 27 Ca 0.65 -1.74 0.05 0.00 -1.82 0.00 0.00 55.36 52.49 2d9y s GLN 27 Cb -0.01 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.33 2d9y s GLN 27 CO 0.08 -0.76 -0.18 -1.58 -1.32 0.00 0.00 175.29 171.53 2d9y s TRP 28 N -3.18 1.72 0.19 9.60 0.52 -1.26 0.01 118.94 126.54 2d9y s TRP 28 Ca 0.31 -0.44 0.10 0.00 0.02 0.00 0.00 56.10 56.09 2d9y s TRP 28 Cb 0.00 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 2d9y s TRP 28 CO 0.20 -0.12 -0.21 -0.80 0.02 0.00 0.00 176.95 176.03 2d9y s ASN 29 N -0.12 3.16 0.02 2.95 0.01 -0.93 -4.95 114.94 115.07 2d9y s ASN 29 Ca -0.00 -0.89 -0.12 0.00 -0.71 0.00 0.00 52.86 51.14 2d9y s ASN 29 Cb -0.10 -0.22 -0.06 0.00 0.41 0.00 0.00 41.25 41.28 2d9y s ASN 29 CO 0.01 0.05 0.38 -0.75 -1.51 0.00 0.00 177.10 175.28 2d9y s LYS 30 N -2.84 3.81 0.03 -0.60 2.20 -1.26 -0.02 119.74 121.05 2d9y s LYS 30 Ca 0.20 0.27 -0.23 0.00 -0.36 0.00 0.00 55.97 55.85 2d9y s LYS 30 Cb -0.07 -3.13 0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2d9y s LYS 30 CO 0.09 0.65 0.52 0.50 -0.36 0.00 0.00 175.35 176.75 2d9y s ARG 31 N -1.40 1.01 -0.37 4.03 6.06 -1.01 -4.90 118.95 122.37 2d9y s ARG 31 Ca 0.26 -0.18 -0.25 0.00 -2.50 0.00 0.00 55.73 53.07 2d9y s ARG 31 Cb -0.15 0.46 0.01 0.00 0.06 0.00 0.00 34.95 35.33 2d9y s ARG 31 CO 0.14 -0.35 0.86 -0.46 -2.50 0.00 0.00 175.30 172.99 2d9y s TRP 32 N -2.23 3.09 -0.09 5.12 -0.11 -0.80 -1.23 118.94 122.69 2d9y s TRP 32 Ca -0.06 0.66 -0.02 0.00 1.22 0.00 0.00 56.10 57.89 2d9y s TRP 32 Cb -0.01 -3.55 -0.03 0.00 -1.50 0.00 0.00 33.47 28.38 2d9y s TRP 32 CO 0.00 -0.79 0.01 -0.06 -4.62 0.00 0.00 176.95 171.48 2d9y s PHE 33 N 3.31 3.18 -0.26 5.86 0.40 -0.51 -0.36 117.98 129.59 2d9y s PHE 33 Ca 0.35 0.20 -0.02 0.00 -0.60 0.00 0.00 56.93 56.86 2d9y s PHE 33 Cb -0.12 -1.80 0.09 0.00 0.51 0.00 0.00 43.02 41.69 2d9y s PHE 33 CO 0.18 0.47 0.08 0.08 0.70 0.00 0.00 175.22 176.74 2d9y s VAL 34 N -0.87 0.50 0.16 -0.44 1.01 0.66 -0.69 120.40 120.74 2d9y s VAL 34 Ca 0.13 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 2d9y s VAL 34 Cb -0.11 -1.26 -0.11 0.00 0.00 0.00 0.00 36.38 34.90 2d9y s VAL 34 CO 0.02 -0.52 1.70 -0.22 0.00 0.00 0.00 175.10 176.09 2d9y s LEU 35 N 1.83 4.38 0.48 3.92 2.96 0.31 -2.11 118.68 130.45 2d9y s LEU 35 Ca 0.06 2.74 0.02 0.00 -0.22 0.00 0.00 54.13 56.72 2d9y s LEU 35 Cb -0.17 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 2d9y s LEU 35 CO -0.22 -0.94 0.04 0.54 -1.32 0.00 0.00 176.35 174.46 2d9y s VAL 36 N 1.72 0.95 -0.39 1.68 0.11 0.15 -2.79 120.40 121.84 2d9y s VAL 36 Ca 0.75 -2.00 -0.42 0.00 -2.93 0.00 0.00 61.98 57.39 2d9y s VAL 36 Cb -0.46 -2.18 -0.16 0.00 -1.53 0.00 0.00 36.38 32.04 2d9y s VAL 36 CO 0.33 0.00 1.89 -0.90 -3.33 0.00 0.00 175.10 173.09 2d9y n ASP 37 N -1.31 1.73 -2.41 3.54 5.75 -1.26 -0.58 116.55 122.02 2d9y n ASP 37 Ca -0.16 0.89 -0.08 0.00 -0.01 0.00 0.00 54.79 55.42 2d9y n ASP 37 Cb 0.66 -1.05 -0.02 0.00 -1.03 0.00 0.00 41.12 39.68 2d9y n ASP 37 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2d9y n ARG 38 N 6.10 -1.98 -3.94 0.11 1.74 -1.26 -4.75 116.66 112.68 2d9y n ARG 38 Ca 0.37 0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 57.37 2d9y n ARG 38 Cb 0.07 -3.26 -0.01 0.00 -1.02 0.00 0.00 32.46 28.24 2d9y n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2d9y s LEU 40 N -3.11 -0.25 0.28 0.00 2.96 -0.64 0.34 118.68 118.25 2d9y s LEU 40 Ca 0.21 0.93 0.10 0.00 -0.22 0.00 0.00 54.13 55.16 2d9y s LEU 40 Cb -0.03 1.37 -0.05 0.00 0.50 0.00 0.00 46.19 47.99 2d9y s LEU 40 CO 0.14 -0.20 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.55 2d9y s PHE 41 N 1.71 2.58 -0.01 5.38 0.08 -0.90 -1.05 117.98 125.77 2d9y s PHE 41 Ca -0.08 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.69 2d9y s PHE 41 Cb -0.09 -1.17 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 2d9y s PHE 41 CO -0.13 0.63 0.04 1.52 -0.10 0.00 0.00 175.22 177.18 2d9y s TYR 42 N -2.39 -0.02 0.17 0.36 1.13 -1.24 -0.25 117.35 115.12 2d9y s TYR 42 Ca 0.31 0.05 0.05 0.00 -1.41 0.00 0.00 57.07 56.07 2d9y s TYR 42 Cb -0.06 -0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.76 2d9y s TYR 42 CO 0.19 -0.05 -0.08 0.71 -2.51 0.00 0.00 175.55 173.81 2d9y s TYR 43 N -0.15 1.37 0.23 -3.49 1.51 0.51 -3.42 117.35 113.91 2d9y s TYR 43 Ca -0.02 -0.78 -0.07 0.00 -1.01 0.00 0.00 57.07 55.19 2d9y s TYR 43 Cb -0.01 -0.72 0.40 0.00 -0.11 0.00 0.00 41.96 41.52 2d9y s TYR 43 CO 0.00 0.08 1.66 0.87 -1.11 0.00 0.00 175.55 177.05 2d9y h LYS 44 N 2.69 0.17 0.00 -0.62 1.79 -1.86 -2.13 116.57 116.60 2d9y h LYS 44 Ca -0.37 -0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 57.82 2d9y h LYS 44 Cb 1.20 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 31.75 2d9y h LYS 44 CO 0.64 0.11 -0.16 -0.25 -1.08 0.00 0.00 179.45 178.71 2d9y n ASP 45 N -5.25 -1.21 -0.26 0.86 9.92 -1.26 -4.23 116.55 115.11 2d9y n ASP 45 Ca 0.12 -2.77 0.03 0.00 -0.53 0.00 0.00 54.79 51.65 2d9y n ASP 45 Cb 0.43 2.29 0.16 0.00 -0.64 0.00 0.00 41.12 43.37 2d9y n ASP 45 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2d9y h GLU 46 N 0.00 0.59 -0.81 -1.24 -0.00 -1.94 -1.91 114.58 109.27 2d9y h GLU 46 Ca -0.25 -0.04 0.28 0.00 -0.00 0.00 0.00 59.36 59.36 2d9y h GLU 46 Cb 1.10 -0.13 -0.15 0.00 -0.00 0.00 0.00 28.75 29.56 2d9y h GLU 46 CO 0.34 0.39 0.22 1.63 -0.00 0.00 0.00 179.01 181.59 2d9y n LYS 47 N -4.87 -0.06 -2.84 1.06 4.76 -1.26 -4.79 118.16 110.17 2d9y n LYS 47 Ca 0.13 1.17 -0.10 0.00 -2.87 0.00 0.00 58.31 56.65 2d9y n LYS 47 Cb 0.32 -1.97 0.04 0.00 -1.84 0.00 0.00 35.03 31.58 2d9y n LYS 47 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2d9y n GLU 48 N -5.00 -3.40 -0.04 1.97 2.13 -0.72 -4.96 120.64 110.61 2d9y n GLU 48 Ca 0.25 0.39 -0.13 0.00 0.66 0.00 0.00 57.16 58.33 2d9y n GLU 48 Cb 0.83 -4.07 -0.09 0.00 0.27 0.00 0.00 31.44 28.38 2d9y n GLU 48 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2d9y h GLU 49 N -1.07 -0.44 -3.56 5.31 5.08 -1.86 -3.45 114.58 114.58 2d9y h GLU 49 Ca -0.27 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 2d9y h GLU 49 Cb 1.17 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 2d9y h GLU 49 CO 0.25 -0.29 -0.22 -1.54 -1.00 0.00 0.00 179.01 176.21 2d9y s SER 50 N -4.62 -0.07 -0.02 1.42 1.04 -1.26 -5.14 113.70 105.05 2d9y s SER 50 Ca -0.13 -0.45 -0.29 0.00 0.48 0.00 0.00 55.95 55.57 2d9y s SER 50 Cb 0.07 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 2d9y s SER 50 CO 0.53 -0.78 0.93 -0.63 0.98 0.00 0.00 173.24 174.27 2d9y s ILE 51 N -3.70 4.90 -0.22 -1.02 1.01 -1.26 -4.61 121.20 116.30 2d9y s ILE 51 Ca 0.03 1.94 -0.14 0.00 0.00 0.00 0.00 60.65 62.48 2d9y s ILE 51 Cb 0.03 -4.26 -0.18 0.00 0.01 0.00 0.00 42.46 38.06 2d9y s ILE 51 CO -0.11 0.17 0.00 0.18 0.00 0.00 0.00 174.94 175.18 2d9y n LEU 52 N 3.93 2.15 -3.74 2.97 4.77 -1.22 -5.03 117.00 120.84 2d9y n LEU 52 Ca 0.05 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 2d9y n LEU 52 Cb 0.51 -0.94 -0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2d9y n LEU 52 CO 0.51 0.55 0.06 -0.83 -1.33 0.00 0.00 177.39 176.34 2d9y s GLY 53 N -5.39 -0.18 -0.09 -0.72 0.00 -1.26 -5.11 107.32 94.59 2d9y s GLY 53 Ca -0.32 0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.72 2d9y s GLY 53 CO 0.59 0.08 -0.14 -1.35 0.00 0.00 0.00 173.10 172.28 2d9y s SER 54 N -1.54 4.00 -0.34 1.64 1.04 -1.26 -3.71 113.70 113.53 2d9y s SER 54 Ca -0.11 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 2d9y s SER 54 Cb -0.04 -1.21 0.08 0.00 0.10 0.00 0.00 66.02 64.96 2d9y s SER 54 CO 0.02 0.26 0.06 -0.63 0.98 0.00 0.00 173.24 173.94 2d9y s ILE 55 N -0.21 2.88 -0.47 -1.02 1.01 -0.21 -5.02 121.20 118.15 2d9y s ILE 55 Ca 0.01 -1.80 -0.28 0.00 0.00 0.00 0.00 60.65 58.58 2d9y s ILE 55 Cb -0.13 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 2d9y s ILE 55 CO 0.03 -0.38 1.78 -2.16 0.00 0.00 0.00 174.94 174.21 2d9y s PRO 56 N 1.14 3.04 -0.25 2.79 0.04 -1.26 -1.62 135.00 138.87 2d9y s PRO 56 Ca 0.02 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 2d9y s PRO 56 Cb -0.21 -4.26 0.05 0.00 0.04 0.00 0.00 34.50 30.12 2d9y s PRO 56 CO -0.04 -2.23 2.50 1.28 0.04 0.00 0.00 177.00 178.56 2d9y n LEU 57 N 11.24 6.08 -4.45 -3.56 4.77 -1.15 -4.86 117.00 125.07 2d9y n LEU 57 Ca 0.21 -3.35 -0.44 0.00 -0.03 0.00 0.00 56.01 52.40 2d9y n LEU 57 Cb 0.49 -1.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 2d9y n LEU 57 CO 0.70 1.42 0.39 -0.22 -1.33 0.00 0.00 177.39 178.34 2d9y s LEU 58 N -1.32 4.87 -0.76 2.23 2.96 -1.26 -3.66 118.68 121.74 2d9y s LEU 58 Ca 0.40 -0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 2d9y s LEU 58 Cb 0.26 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.46 2d9y s LEU 58 CO -0.07 -0.94 0.56 -0.24 -1.32 0.00 0.00 176.35 174.34 2d9y n SER 59 N 6.34 -4.28 -4.61 3.68 2.88 -1.13 -4.98 113.62 111.52 2d9y n SER 59 Ca -0.06 -0.26 -0.36 0.00 -1.33 0.00 0.00 58.87 56.87 2d9y n SER 59 Cb 0.46 -2.92 -0.10 0.00 -0.75 0.00 0.00 64.21 60.89 2d9y n SER 59 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2d9y s PHE 60 N -3.10 3.25 -0.67 0.66 0.40 -1.26 -4.35 117.98 112.92 2d9y s PHE 60 Ca 0.28 0.07 -0.27 0.00 -0.60 0.00 0.00 56.93 56.41 2d9y s PHE 60 Cb -0.12 -2.23 0.02 0.00 0.51 0.00 0.00 43.02 41.20 2d9y s PHE 60 CO 0.34 -0.01 1.34 0.50 0.70 0.00 0.00 175.22 178.10 2d9y s ARG 61 N 1.06 3.22 -0.18 0.44 3.52 0.13 -4.60 118.95 122.55 2d9y s ARG 61 Ca 0.06 0.06 -0.14 0.00 -0.13 0.00 0.00 55.73 55.58 2d9y s ARG 61 Cb -0.14 -4.16 -0.04 0.00 -1.56 0.00 0.00 34.95 29.05 2d9y s ARG 61 CO 0.04 -2.07 0.30 0.08 -0.81 0.00 0.00 175.30 172.84 2d9y s VAL 62 N 5.94 5.29 -0.23 7.11 1.01 -1.26 -2.19 120.40 136.08 2d9y s VAL 62 Ca 0.43 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 2d9y s VAL 62 Cb -0.09 -3.64 0.16 0.00 0.00 0.00 0.00 36.38 32.82 2d9y s VAL 62 CO 0.19 0.35 1.21 0.00 0.00 0.00 0.00 175.10 176.85 2d9y s ALA 63 N 0.76 -2.05 0.34 5.51 0.00 -0.97 -4.92 121.76 120.42 2d9y s ALA 63 Ca 0.16 1.74 -0.25 0.00 0.00 0.00 0.00 51.96 53.62 2d9y s ALA 63 Cb -0.13 -1.04 -0.15 0.00 0.00 0.00 0.00 23.12 21.80 2d9y s ALA 63 CO 0.05 -0.32 0.52 0.00 0.00 0.00 0.00 175.76 176.01 2d9y n ALA 64 N 0.50 -1.99 -0.53 0.00 0.00 -1.26 -1.31 120.51 115.91 2d9y n ALA 64 Ca -0.03 0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 2d9y n ALA 64 Cb 0.58 -1.71 0.14 0.00 0.00 0.00 0.00 19.45 18.47 2d9y n ALA 64 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2d9y n VAL 65 N -0.49 0.00 -4.34 0.00 0.24 -0.40 -4.56 118.33 108.78 2d9y n VAL 65 Ca 0.13 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.18 2d9y n VAL 65 Cb 0.34 -0.46 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 2d9y n VAL 65 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2d9y s GLN 66 N -3.39 2.03 0.10 7.34 -0.21 -1.26 -4.95 119.66 119.31 2d9y s GLN 66 Ca 0.31 -1.45 0.18 0.00 0.02 0.00 0.00 55.36 54.42 2d9y s GLN 66 Cb -0.06 -2.05 0.75 0.00 1.00 0.00 0.00 33.01 32.65 2d9y s GLN 66 CO 0.26 0.38 1.55 -0.35 -2.12 0.00 0.00 175.29 175.02 2d9y n PRO 67 N -0.44 0.07 0.05 2.91 -0.04 -1.26 -2.55 135.00 133.75 2d9y n PRO 67 Ca -0.08 0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2d9y n PRO 67 Cb 0.58 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.26 2d9y n PRO 67 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2d9y h SER 68 N 0.00 0.23 -0.48 3.54 0.02 -2.04 -3.32 113.55 111.50 2d9y h SER 68 Ca 0.00 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.55 2d9y h SER 68 Cb 0.29 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2d9y h SER 68 CO 0.00 1.25 -0.03 0.44 -1.14 0.00 0.00 176.83 177.35 2d9y h ASP 69 N 0.04 0.90 -4.57 3.07 5.19 -1.91 -3.47 116.42 115.67 2d9y h ASP 69 Ca -0.18 -0.25 -0.27 0.00 -0.62 0.00 0.00 57.03 55.71 2d9y h ASP 69 Cb 1.95 -0.24 0.11 0.00 0.18 0.00 0.00 39.33 41.32 2d9y h ASP 69 CO 0.15 0.98 -0.52 -3.20 -3.12 0.00 0.00 179.24 173.53 2d9y n ASN 70 N -4.18 -3.94 -4.73 6.45 5.15 -1.23 -4.93 115.26 107.84 2d9y n ASN 70 Ca 0.02 -0.41 -0.42 0.00 -0.60 0.00 0.00 54.58 53.17 2d9y n ASN 70 Cb 0.34 -3.82 -0.02 0.00 -0.53 0.00 0.00 39.78 35.75 2d9y n ASN 70 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2d9y s ILE 71 N -3.24 2.07 -0.02 -1.44 -1.09 -1.26 -4.86 121.20 111.37 2d9y s ILE 71 Ca 0.26 0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.71 2d9y s ILE 71 Cb -0.11 -3.04 -0.11 0.00 -1.58 0.00 0.00 42.46 37.62 2d9y s ILE 71 CO 0.53 0.01 2.74 -0.24 -1.23 0.00 0.00 174.94 176.75 2d9y n SER 72 N 3.34 5.36 -3.64 3.58 2.88 -1.26 -4.72 113.62 119.15 2d9y n SER 72 Ca 0.13 -2.48 -0.09 0.00 -1.33 0.00 0.00 58.87 55.10 2d9y n SER 72 Cb 0.36 -1.26 -0.07 0.00 -0.75 0.00 0.00 64.21 62.49 2d9y n SER 72 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2d9y s ARG 73 N 0.36 0.71 0.91 -1.46 0.52 -1.26 -5.11 118.95 113.62 2d9y s ARG 73 Ca 0.32 1.06 -0.13 0.00 -0.52 0.00 0.00 55.73 56.45 2d9y s ARG 73 Cb 0.16 0.24 0.18 0.00 0.52 0.00 0.00 34.95 36.04 2d9y s ARG 73 CO -0.00 -0.12 1.26 0.15 0.02 0.00 0.00 175.30 176.60 2d9y s LYS 74 N 1.07 0.93 -1.65 3.54 1.02 -1.26 -4.15 119.74 119.24 2d9y s LYS 74 Ca -0.05 -0.46 -0.16 0.00 0.02 0.00 0.00 55.97 55.32 2d9y s LYS 74 Cb -0.05 -1.93 0.16 0.00 -0.52 0.00 0.00 37.83 35.49 2d9y s LYS 74 CO -0.11 -2.18 0.40 0.72 -0.92 0.00 0.00 175.35 173.26 2d9y n HIS 75 N -3.58 -1.09 -4.06 3.18 8.25 -1.26 -4.29 115.22 112.36 2d9y n HIS 75 Ca 0.14 0.61 -0.30 0.00 -0.26 0.00 0.00 57.72 57.91 2d9y n HIS 75 Cb 0.60 -1.94 -0.07 0.00 1.12 0.00 0.00 29.99 29.70 2d9y n HIS 75 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2d9y s THR 76 N -3.39 4.43 0.03 1.59 2.01 -1.26 -1.21 115.64 117.83 2d9y s THR 76 Ca 0.56 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 2d9y s THR 76 Cb -0.33 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2d9y s THR 76 CO 0.94 0.12 -0.03 0.72 -0.69 0.00 0.00 174.62 175.68 2d9y s PHE 77 N -1.38 0.34 0.14 4.92 -0.71 0.11 -1.27 117.98 120.14 2d9y s PHE 77 Ca 0.29 -0.66 0.10 0.00 -1.04 0.00 0.00 56.93 55.61 2d9y s PHE 77 Cb -0.12 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.40 2d9y s PHE 77 CO 0.21 -0.23 -0.21 -1.59 -1.34 0.00 0.00 175.22 172.06 2d9y s LYS 78 N -2.08 1.64 -0.30 1.99 -2.85 -0.43 -1.32 119.74 116.40 2d9y s LYS 78 Ca -0.10 -1.31 0.01 0.00 -1.00 0.00 0.00 55.97 53.57 2d9y s LYS 78 Cb -0.06 -2.00 0.09 0.00 -2.06 0.00 0.00 37.83 33.80 2d9y s LYS 78 CO -0.03 0.45 0.03 0.00 0.10 0.00 0.00 175.35 175.90 2d9y s ALA 79 N -1.28 2.17 -0.10 0.59 0.00 -1.10 -2.30 121.76 119.74 2d9y s ALA 79 Ca 0.18 -1.90 0.04 0.00 0.00 0.00 0.00 51.96 50.28 2d9y s ALA 79 Cb -0.10 -1.69 -0.00 0.00 0.00 0.00 0.00 23.12 21.33 2d9y s ALA 79 CO 0.09 -1.53 -0.24 -2.00 0.00 0.00 0.00 175.76 172.08 2d9y s GLU 80 N 1.28 3.04 0.00 0.00 -6.30 -0.93 -2.80 118.70 112.99 2d9y s GLU 80 Ca 0.05 -0.88 0.00 0.00 -2.50 0.00 0.00 54.97 51.64 2d9y s GLU 80 Cb -0.18 -2.30 0.00 0.00 0.00 0.00 0.00 34.13 31.65 2d9y s GLU 80 CO -0.13 0.19 0.00 1.58 0.02 0.00 0.00 175.26 176.91 2d9y n HIS 81 N 3.50 0.00 -3.15 5.30 -0.00 -1.26 0.23 115.22 119.84 2d9y n HIS 81 Ca -0.19 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.58 2d9y n HIS 81 Cb 0.53 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.99 30.40 2d9y n HIS 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2d9y s ALA 82 N -3.80 -3.07 -1.23 1.57 0.00 -1.26 -4.68 121.76 109.28 2d9y s ALA 82 Ca 0.00 1.55 -0.07 0.00 0.00 0.00 0.00 51.96 53.44 2d9y s ALA 82 Cb 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.72 2d9y s ALA 82 CO 0.00 -1.46 0.12 0.41 0.00 0.00 0.00 175.76 174.84 2d9y n GLY 83 N 5.44 -0.23 1.65 0.00 0.00 -1.26 -4.75 105.19 106.04 2d9y n GLY 83 Ca -0.04 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2d9y n GLY 83 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2d9y n VAL 84 N -4.09 0.32 -3.62 1.61 3.14 -1.26 -5.16 118.33 109.26 2d9y n VAL 84 Ca -0.24 0.10 -0.01 0.00 -2.96 0.00 0.00 64.34 61.24 2d9y n VAL 84 Cb 0.56 -0.88 -0.01 0.00 -1.06 0.00 0.00 33.84 32.44 2d9y n VAL 84 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2d9y s ARG 85 N -2.00 0.51 -0.21 1.45 3.52 -1.26 -5.11 118.95 115.84 2d9y s ARG 85 Ca 0.00 -0.26 -0.05 0.00 -0.13 0.00 0.00 55.73 55.30 2d9y s ARG 85 Cb 0.00 0.19 0.08 0.00 -1.56 0.00 0.00 34.95 33.65 2d9y s ARG 85 CO 0.00 -0.23 0.11 0.99 -0.81 0.00 0.00 175.30 175.36 2d9y s THR 86 N -2.58 -0.09 0.71 4.11 2.01 -1.26 -4.08 115.64 114.46 2d9y s THR 86 Ca 0.12 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.64 2d9y s THR 86 Cb 0.02 -0.72 0.04 0.00 0.01 0.00 0.00 72.50 71.84 2d9y s THR 86 CO -0.04 -0.44 1.07 -0.31 -0.69 0.00 0.00 174.62 174.21 2d9y s TYR 87 N 2.13 3.17 -0.12 4.92 1.51 -1.12 -4.87 117.35 122.97 2d9y s TYR 87 Ca 0.05 0.83 -0.04 0.00 -1.01 0.00 0.00 57.07 56.89 2d9y s TYR 87 Cb -0.16 -3.13 0.06 0.00 -0.11 0.00 0.00 41.96 38.62 2d9y s TYR 87 CO -0.19 -1.29 0.21 -0.06 -1.11 0.00 0.00 175.55 173.10 2d9y s PHE 88 N -3.33 -0.29 -0.06 2.71 0.08 -1.26 -2.72 117.98 113.11 2d9y s PHE 88 Ca 0.59 0.71 0.04 0.00 0.12 0.00 0.00 56.93 58.38 2d9y s PHE 88 Cb -0.11 -0.19 0.00 0.00 -0.57 0.00 0.00 43.02 42.16 2d9y s PHE 88 CO 0.49 -0.34 -0.19 -0.06 -0.10 0.00 0.00 175.22 175.02 2d9y s PHE 89 N 2.35 1.94 -0.25 0.36 0.08 -0.44 -2.30 117.98 119.72 2d9y s PHE 89 Ca 0.03 -0.66 -0.03 0.00 0.12 0.00 0.00 56.93 56.39 2d9y s PHE 89 Cb -0.12 -1.32 0.02 0.00 -0.57 0.00 0.00 43.02 41.03 2d9y s PHE 89 CO -0.08 -0.26 -0.04 0.45 -0.10 0.00 0.00 175.22 175.20 2d9y s SER 90 N 0.24 4.45 -0.04 1.36 0.15 -1.00 -0.71 113.70 118.15 2d9y s SER 90 Ca -0.10 -0.80 -0.24 0.00 0.70 0.00 0.00 55.95 55.50 2d9y s SER 90 Cb -0.14 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 2d9y s SER 90 CO 0.04 -0.13 0.73 0.00 1.20 0.00 0.00 173.24 175.09 2d9y s ALA 91 N 1.37 3.33 0.25 5.45 0.00 -0.35 -3.24 121.76 128.57 2d9y s ALA 91 Ca 0.01 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 2d9y s ALA 91 Cb -0.16 -2.99 0.51 0.00 0.00 0.00 0.00 23.12 20.47 2d9y s ALA 91 CO -0.03 -0.08 1.71 0.93 0.00 0.00 0.00 175.76 178.28 2d9y h GLU 92 N 6.57 0.37 -6.43 0.00 5.08 -1.87 -3.42 114.58 114.87 2d9y h GLU 92 Ca -0.42 -0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 57.29 2d9y h GLU 92 Cb 1.20 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.23 2d9y h GLU 92 CO 0.74 0.24 -0.71 -1.12 -1.00 0.00 0.00 179.01 177.17 2d9y s SER 93 N -5.28 4.45 0.54 1.42 0.01 -1.26 -5.01 113.70 108.58 2d9y s SER 93 Ca -0.12 -0.47 0.34 0.00 1.31 0.00 0.00 55.95 57.00 2d9y s SER 93 Cb 0.22 -0.84 1.40 0.00 0.21 0.00 0.00 66.02 67.01 2d9y s SER 93 CO 0.76 0.12 1.99 1.55 0.41 0.00 0.00 173.24 178.07 2d9y h PRO 94 N 3.01 0.00 -0.12 12.44 0.13 -1.93 -2.91 132.00 142.61 2d9y h PRO 94 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2d9y h PRO 94 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2d9y h PRO 94 CO 0.55 0.00 -0.71 1.05 -0.23 0.00 0.00 178.00 178.66 2d9y h GLU 95 N 0.00 0.54 -0.10 0.86 4.11 -1.95 -3.24 114.58 114.80 2d9y h GLU 95 Ca 0.00 -0.42 -0.10 0.00 0.07 0.00 0.00 59.36 58.91 2d9y h GLU 95 Cb 0.48 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2d9y h GLU 95 CO 0.00 1.05 -0.34 0.93 0.07 0.00 0.00 179.01 180.72 2d9y h GLU 96 N 0.38 0.41 -0.62 1.06 5.08 -1.90 -2.88 114.58 116.11 2d9y h GLU 96 Ca -0.03 -0.31 0.09 0.00 -1.00 0.00 0.00 59.36 58.12 2d9y h GLU 96 Cb 1.29 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.48 2d9y h GLU 96 CO 0.13 0.93 -0.43 0.37 -1.00 0.00 0.00 179.01 179.01 2d9y h GLN 97 N -0.02 -0.19 0.02 2.33 4.15 -1.59 0.18 115.11 119.99 2d9y h GLN 97 Ca -0.01 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2d9y h GLN 97 Cb 0.96 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2d9y h GLN 97 CO 0.07 -0.13 -0.01 0.93 -1.93 0.00 0.00 178.83 177.76 2d9y h GLU 98 N -0.20 -0.03 -0.68 1.69 4.39 -1.64 -1.50 114.58 116.61 2d9y h GLU 98 Ca 0.19 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.04 2d9y h GLU 98 Cb 0.56 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.11 2d9y h GLU 98 CO -0.72 0.02 0.07 0.00 -1.16 0.00 0.00 179.01 177.22 2d9y h ALA 99 N 0.91 0.75 0.65 3.43 0.00 -0.99 -2.19 119.26 121.82 2d9y h ALA 99 Ca -0.00 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2d9y h ALA 99 Cb 0.06 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2d9y h ALA 99 CO 0.01 -0.38 -0.31 -1.49 0.00 0.00 0.00 179.25 177.07 2d9y h TRP 100 N 0.17 -0.81 -1.01 0.00 4.06 -0.47 0.21 115.95 118.10 2d9y h TRP 100 Ca 0.37 -0.02 0.40 0.00 2.06 0.00 0.00 58.89 61.70 2d9y h TRP 100 Cb 0.61 0.27 -0.16 0.00 -1.00 0.00 0.00 29.16 28.88 2d9y h TRP 100 CO -0.33 -0.47 0.57 -0.89 -3.56 0.00 0.00 178.44 173.76 2d9y n ILE 101 N -5.40 -0.36 -0.07 1.49 5.41 -0.58 -0.76 119.36 119.09 2d9y n ILE 101 Ca -0.12 1.86 -0.09 0.00 1.00 0.00 0.00 62.75 65.40 2d9y n ILE 101 Cb 0.37 -3.03 -0.06 0.00 -0.71 0.00 0.00 39.64 36.20 2d9y n ILE 101 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2d9y h GLN 102 N 0.00 0.00 -0.47 0.38 4.20 -1.25 -1.32 115.11 116.65 2d9y h GLN 102 Ca 0.80 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.56 2d9y h GLN 102 Cb 2.22 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.93 2d9y h GLN 102 CO -0.67 0.47 -0.41 0.00 -0.67 0.00 0.00 178.83 177.56 2d9y h ALA 103 N -0.62 -0.54 0.00 3.87 0.00 0.14 0.22 119.26 122.33 2d9y h ALA 103 Ca -0.06 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2d9y h ALA 103 Cb 0.63 1.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 2d9y h ALA 103 CO -0.04 -0.77 -0.57 0.00 0.00 0.00 0.00 179.25 177.86 2d9y h MET 104 N -0.16 0.00 0.10 0.00 -0.00 -1.14 -3.30 114.93 110.42 2d9y h MET 104 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.78 2d9y h MET 104 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.96 2d9y h MET 104 CO -0.53 0.57 -0.11 0.78 -0.00 0.00 0.00 176.91 177.63 2d9y h GLY 105 N 2.55 -0.21 0.59 -3.00 0.00 0.10 -2.32 103.07 100.78 2d9y h GLY 105 Ca -0.01 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.53 2d9y h GLY 105 CO 0.07 -0.11 0.52 1.05 0.00 0.00 0.00 176.54 178.07 2d9y h GLU 106 N -0.23 0.86 0.00 4.80 4.11 -0.72 0.36 114.58 123.77 2d9y h GLU 106 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 2d9y h GLU 106 Cb 0.23 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2d9y h GLU 106 CO -0.04 0.57 -0.03 0.00 0.07 0.00 0.00 179.01 179.58 2d9y h ALA 107 N 1.45 1.94 0.10 1.06 0.00 -1.56 -2.54 119.26 119.71 2d9y h ALA 107 Ca 0.40 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.96 2d9y h ALA 107 Cb 0.30 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2d9y h ALA 107 CO -0.22 0.03 -1.76 0.00 0.00 0.00 0.00 179.25 177.30 2d9y h ALA 108 N 1.97 0.44 -2.34 0.00 0.00 -0.47 -3.42 119.26 115.45 2d9y h ALA 108 Ca -0.00 -1.30 -0.51 0.00 0.00 0.00 0.00 54.91 53.10 2d9y h ALA 108 Cb 0.05 0.50 0.12 0.00 0.00 0.00 0.00 17.79 18.46 2d9y h ALA 108 CO 0.00 1.30 0.34 -0.98 0.00 0.00 0.00 179.25 179.91 2d9y s ARG 109 N -2.59 2.55 -0.00 0.00 1.70 0.11 -2.83 118.95 117.88 2d9y s ARG 109 Ca -0.14 1.14 0.04 0.00 -0.47 0.00 0.00 55.73 56.30 2d9y s ARG 109 Cb 0.07 -1.93 -0.01 0.00 -0.57 0.00 0.00 34.95 32.50 2d9y s ARG 109 CO 0.82 -1.42 -0.12 0.08 -1.08 0.00 0.00 175.30 173.58 2d9y s VAL 110 N -2.86 0.94 -0.11 4.99 1.01 -1.26 -4.89 120.40 118.21 2d9y s VAL 110 Ca 0.61 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 2d9y s VAL 110 Cb -0.17 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 2d9y s VAL 110 CO 0.53 0.21 0.36 -1.10 0.00 0.00 0.00 175.10 175.10 2d9y s GLN 111 N -0.42 4.17 0.13 2.72 -0.21 -1.26 -5.01 119.66 119.77 2d9y s GLN 111 Ca 0.04 0.24 -0.26 0.00 0.02 0.00 0.00 55.36 55.40 2d9y s GLN 111 Cb -0.05 -3.38 -0.15 0.00 1.00 0.00 0.00 33.01 30.44 2d9y s GLN 111 CO -0.00 0.33 0.55 -1.13 -2.12 0.00 0.00 175.29 172.92 2d9y n SER 112 N 3.17 -0.80 -3.61 5.90 3.41 -1.26 -4.96 113.62 115.47 2d9y n SER 112 Ca -0.11 0.96 -0.22 0.00 -0.26 0.00 0.00 58.87 59.23 2d9y n SER 112 Cb 0.52 -0.79 -0.16 0.00 -0.26 0.00 0.00 64.21 63.52 2d9y n SER 112 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2d9y s GLY 113 N -0.64 0.20 0.00 5.00 0.00 -1.26 -4.99 107.32 105.63 2d9y s GLY 113 Ca 0.59 0.05 0.14 0.00 0.00 0.00 0.00 44.72 45.50 2d9y s GLY 113 CO 0.47 1.74 1.27 -1.55 0.00 0.00 0.00 173.10 175.03 2d9y n PRO 114 N 5.30 0.49 -1.70 2.90 -0.04 -1.26 -4.82 135.00 135.87 2d9y n PRO 114 Ca -0.05 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.97 2d9y n PRO 114 Cb 0.49 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 2d9y n PRO 114 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d9y n SER 115 N -0.96 3.32 -3.61 3.54 7.64 -1.26 -4.98 113.62 117.30 2d9y n SER 115 Ca 0.11 1.12 -0.11 0.00 1.01 0.00 0.00 58.87 60.99 2d9y n SER 115 Cb 0.05 -1.49 -0.07 0.00 -1.01 0.00 0.00 64.21 61.69 2d9y n SER 115 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d9y s SER 116 N 0.63 -0.52 0.00 6.43 0.15 -1.26 -5.27 113.70 113.86 2d9y s SER 116 Ca 0.71 0.89 0.03 0.00 0.70 0.00 0.00 55.95 58.28 2d9y s SER 116 Cb -0.59 0.86 0.20 0.00 -1.71 0.00 0.00 66.02 64.77 2d9y s SER 116 CO 0.44 -0.25 0.68 0.61 1.20 0.00 0.00 173.24 175.91