#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 0.15 0.15 1.61 0.01 -1.26 -5.18 113.70 109.18 2d9y s SER 2 Ca 0.00 -1.29 -0.23 0.00 1.31 0.00 0.00 55.95 55.73 2d9y s SER 2 Cb 0.00 0.39 0.07 0.00 0.21 0.00 0.00 66.02 66.69 2d9y s SER 2 CO 0.00 -0.85 0.62 -0.44 0.41 0.00 0.00 173.24 172.97 2d9y s SER 3 N -3.12 -0.56 0.94 2.44 0.01 -1.26 -5.18 113.70 106.97 2d9y s SER 3 Ca 0.34 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2d9y s SER 3 Cb 0.06 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.88 2d9y s SER 3 CO 0.10 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2d9y n GLY 4 N -0.36 -1.98 3.26 3.44 0.00 -1.26 -4.98 105.19 103.31 2d9y n GLY 4 Ca -0.17 -1.52 -0.44 0.00 0.00 0.00 0.00 46.02 43.89 2d9y n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9y s SER 5 N -1.33 6.28 0.22 1.61 0.15 -1.26 -4.92 113.70 114.44 2d9y s SER 5 Ca 0.00 -2.61 -0.08 0.00 0.70 0.00 0.00 55.95 53.96 2d9y s SER 5 Cb 0.00 -2.11 0.35 0.00 -1.71 0.00 0.00 66.02 62.55 2d9y s SER 5 CO 0.00 -0.55 1.72 0.28 1.20 0.00 0.00 173.24 175.89 2d9y h SER 6 N 7.73 0.14 0.00 5.45 0.02 -2.07 -3.47 113.55 121.35 2d9y h SER 6 Ca 0.02 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2d9y h SER 6 Cb 1.03 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2d9y h SER 6 CO 0.77 0.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.14 2d9y n GLY 7 N -1.32 2.25 3.01 -3.77 0.00 -1.26 -4.99 105.19 99.11 2d9y n GLY 7 Ca 0.11 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2d9y n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d9y s ASN 8 N 0.00 0.56 0.04 1.61 0.01 -1.26 -5.16 114.94 110.74 2d9y s ASN 8 Ca 0.00 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 2d9y s ASN 8 Cb 0.00 0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.67 2d9y s ASN 8 CO 0.00 -0.18 -0.05 0.00 -1.51 0.00 0.00 177.10 175.37 2d9y s ALA 9 N -1.12 0.38 0.88 0.60 0.00 -1.26 -5.16 121.76 116.08 2d9y s ALA 9 Ca -0.09 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.94 2d9y s ALA 9 Cb -0.08 0.15 0.12 0.00 0.00 0.00 0.00 23.12 23.30 2d9y s ALA 9 CO -0.00 -0.17 1.09 -1.25 0.00 0.00 0.00 175.76 175.43 2d9y s PRO 10 N -2.13 1.40 -0.14 0.00 0.04 -1.26 -5.04 135.00 127.87 2d9y s PRO 10 Ca -0.08 0.87 -0.07 0.00 0.04 0.00 0.00 61.00 61.77 2d9y s PRO 10 Cb -0.05 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2d9y s PRO 10 CO -0.03 -2.16 0.11 0.08 0.04 0.00 0.00 177.00 175.05 2d9y s VAL 11 N -2.93 5.24 -0.16 -0.36 1.01 -1.26 -4.65 120.40 117.29 2d9y s VAL 11 Ca 0.63 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.59 2d9y s VAL 11 Cb -0.18 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 2d9y s VAL 11 CO 0.57 0.57 0.07 0.74 0.00 0.00 0.00 175.10 177.05 2d9y h THR 12 N 4.22 0.48 -2.82 3.92 2.02 -1.80 -3.50 112.91 115.44 2d9y h THR 12 Ca -0.50 -1.52 -0.10 0.00 0.77 0.00 0.00 66.41 65.05 2d9y h THR 12 Cb 1.20 1.07 -0.20 0.00 -1.74 0.00 0.00 68.15 68.49 2d9y h THR 12 CO 0.62 0.16 -0.17 -0.75 0.37 0.00 0.00 175.52 175.76 2d9y s LYS 13 N -2.18 0.77 -0.18 6.66 2.20 -1.07 -4.99 119.74 120.94 2d9y s LYS 13 Ca -0.18 -0.11 -0.11 0.00 -0.36 0.00 0.00 55.97 55.21 2d9y s LYS 13 Cb 0.02 0.35 0.06 0.00 -1.51 0.00 0.00 37.83 36.75 2d9y s LYS 13 CO 0.36 -0.22 0.45 0.00 -0.36 0.00 0.00 175.35 175.57 2d9y s ALA 14 N -1.39 -1.14 -0.05 3.13 0.00 -1.26 0.15 121.76 121.20 2d9y s ALA 14 Ca -0.12 1.58 -0.31 0.00 0.00 0.00 0.00 51.96 53.11 2d9y s ALA 14 Cb -0.04 -0.95 0.12 0.00 0.00 0.00 0.00 23.12 22.25 2d9y s ALA 14 CO 0.05 -0.27 1.15 0.20 0.00 0.00 0.00 175.76 176.89 2d9y s GLY 15 N 1.23 -0.35 -0.31 0.00 0.00 -0.09 -5.00 107.32 102.81 2d9y s GLY 15 Ca -0.08 0.98 -0.29 0.00 0.00 0.00 0.00 44.72 45.33 2d9y s GLY 15 CO -0.11 0.28 1.47 -0.98 0.00 0.00 0.00 173.10 173.76 2d9y s TRP 16 N -2.66 2.35 -0.03 1.90 0.52 -1.26 -2.05 118.94 117.70 2d9y s TRP 16 Ca 0.11 0.70 0.05 0.00 0.02 0.00 0.00 56.10 56.97 2d9y s TRP 16 Cb 0.01 -4.05 -0.01 0.00 -1.15 0.00 0.00 33.47 28.27 2d9y s TRP 16 CO -0.04 -2.27 -0.17 -0.51 0.02 0.00 0.00 176.95 173.98 2d9y s LEU 17 N 5.13 1.96 -0.20 2.99 1.43 -0.99 -4.76 118.68 124.24 2d9y s LEU 17 Ca 0.64 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 53.18 2d9y s LEU 17 Cb -0.19 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 2d9y s LEU 17 CO 0.28 0.18 0.77 -0.36 0.23 0.00 0.00 176.35 177.45 2d9y s PHE 18 N -0.15 3.37 -0.30 0.29 0.40 -1.06 -2.25 117.98 118.28 2d9y s PHE 18 Ca 0.01 1.11 -0.16 0.00 -0.60 0.00 0.00 56.93 57.29 2d9y s PHE 18 Cb -0.09 -2.96 -0.02 0.00 0.51 0.00 0.00 43.02 40.46 2d9y s PHE 18 CO 0.01 -0.27 0.43 0.21 0.70 0.00 0.00 175.22 176.29 2d9y s LYS 19 N 2.30 3.85 0.60 0.44 2.20 0.09 -1.23 119.74 128.00 2d9y s LYS 19 Ca 0.34 -0.04 -0.16 0.00 -0.36 0.00 0.00 55.97 55.75 2d9y s LYS 19 Cb -0.16 -3.72 -0.14 0.00 -1.51 0.00 0.00 37.83 32.30 2d9y s LYS 19 CO 0.10 -0.42 -0.29 0.94 -0.36 0.00 0.00 175.35 175.32 2d9y n GLN 20 N 5.47 0.00 -3.04 4.03 7.27 -1.24 -3.09 117.38 126.79 2d9y n GLN 20 Ca -0.07 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.62 2d9y n GLN 20 Cb 0.50 -0.93 -0.06 0.00 2.41 0.00 0.00 30.24 32.16 2d9y n GLN 20 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2d9y s ALA 21 N -1.86 3.44 1.16 1.69 0.00 -0.84 -4.77 121.76 120.59 2d9y s ALA 21 Ca 0.48 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 52.57 2d9y s ALA 21 Cb -0.38 -2.89 0.23 0.00 0.00 0.00 0.00 23.12 20.08 2d9y s ALA 21 CO 0.66 0.31 0.90 0.43 0.00 0.00 0.00 175.76 178.05 2d9y n SER 22 N 1.31 -1.53 -3.90 0.00 7.64 -1.26 -4.72 113.62 111.15 2d9y n SER 22 Ca -0.05 -1.09 -0.36 0.00 1.01 0.00 0.00 58.87 58.38 2d9y n SER 22 Cb 0.50 -0.80 -0.13 0.00 -1.01 0.00 0.00 64.21 62.77 2d9y n SER 22 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2d9y n SER 23 N -4.34 0.27 0.00 6.43 3.41 -1.26 -4.59 113.62 113.54 2d9y n SER 23 Ca 0.12 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2d9y n SER 23 Cb 0.46 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2d9y n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d9y n GLY 24 N 5.68 -0.60 3.64 5.00 0.00 -1.26 -5.14 105.19 112.52 2d9y n GLY 24 Ca 0.57 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 5.63 2.85 -2.14 1.61 3.14 -1.26 -4.84 118.33 123.32 2d9y n VAL 25 Ca 0.00 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.54 2d9y n VAL 25 Cb 0.00 -1.29 -0.04 0.00 -1.06 0.00 0.00 33.84 31.45 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 -2.30 2.74 0.08 1.45 1.02 -1.26 -4.85 119.74 116.62 2d9y s LYS 26 Ca 0.66 -0.03 -0.15 0.00 0.02 0.00 0.00 55.97 56.47 2d9y s LYS 26 Cb -0.50 -4.76 0.03 0.00 -0.52 0.00 0.00 37.83 32.08 2d9y s LYS 26 CO 0.54 -2.91 0.36 1.14 -0.92 0.00 0.00 175.35 173.56 2d9y s GLN 27 N 6.71 0.94 -0.08 1.68 -2.07 -1.26 -5.09 119.66 120.49 2d9y s GLN 27 Ca 0.64 -0.59 0.03 0.00 -1.82 0.00 0.00 55.36 53.62 2d9y s GLN 27 Cb -0.08 0.41 -0.01 0.00 -1.09 0.00 0.00 33.01 32.23 2d9y s GLN 27 CO 0.08 -0.33 -0.18 -1.58 -1.32 0.00 0.00 175.29 171.95 2d9y s TRP 28 N -3.14 2.64 -0.09 9.60 0.52 -1.26 -1.98 118.94 125.23 2d9y s TRP 28 Ca -0.01 -0.58 -0.02 0.00 0.02 0.00 0.00 56.10 55.50 2d9y s TRP 28 Cb 0.01 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2d9y s TRP 28 CO -0.07 -0.13 0.02 -0.80 0.02 0.00 0.00 176.95 175.98 2d9y s ASN 29 N -0.09 5.35 0.01 2.95 0.01 -1.18 -4.94 114.94 117.05 2d9y s ASN 29 Ca -0.04 0.18 -0.26 0.00 -0.71 0.00 0.00 52.86 52.03 2d9y s ASN 29 Cb -0.14 -1.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.94 2d9y s ASN 29 CO 0.04 0.38 0.82 -0.75 -1.51 0.00 0.00 177.10 176.08 2d9y s LYS 30 N -0.91 4.52 -0.10 -0.60 2.20 -1.26 -0.73 119.74 122.86 2d9y s LYS 30 Ca 0.14 1.14 -0.14 0.00 -0.36 0.00 0.00 55.97 56.74 2d9y s LYS 30 Cb -0.11 -3.41 0.03 0.00 -1.51 0.00 0.00 37.83 32.83 2d9y s LYS 30 CO 0.03 0.13 0.37 0.50 -0.36 0.00 0.00 175.35 176.02 2d9y s ARG 31 N 0.46 0.53 -0.03 4.03 6.06 -0.95 -4.94 118.95 124.11 2d9y s ARG 31 Ca 0.42 0.31 -0.30 0.00 -2.50 0.00 0.00 55.73 53.66 2d9y s ARG 31 Cb -0.20 0.25 -0.05 0.00 0.06 0.00 0.00 34.95 35.01 2d9y s ARG 31 CO 0.24 -0.10 1.50 -0.46 -2.50 0.00 0.00 175.30 173.97 2d9y s TRP 32 N -0.30 2.50 -0.02 5.12 -0.00 -0.57 -2.35 118.94 123.32 2d9y s TRP 32 Ca -0.04 0.57 0.05 0.00 -0.00 0.00 0.00 56.10 56.68 2d9y s TRP 32 Cb -0.03 -3.77 -0.03 0.00 -0.00 0.00 0.00 33.47 29.64 2d9y s TRP 32 CO 0.02 -3.01 -0.18 -0.06 -0.00 0.00 0.00 176.95 173.73 2d9y s PHE 33 N 3.12 2.59 -0.22 5.86 0.08 -0.87 -0.54 117.98 128.00 2d9y s PHE 33 Ca 0.67 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.44 2d9y s PHE 33 Cb -0.32 -1.56 0.08 0.00 -0.57 0.00 0.00 43.02 40.65 2d9y s PHE 33 CO 0.27 0.15 0.12 0.08 -0.10 0.00 0.00 175.22 175.74 2d9y s VAL 34 N -0.75 -0.10 0.05 -0.44 1.01 0.13 -0.91 120.40 119.37 2d9y s VAL 34 Ca 0.12 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 2d9y s VAL 34 Cb -0.10 -0.75 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 2d9y s VAL 34 CO 0.01 -0.46 1.49 -0.22 0.00 0.00 0.00 175.10 175.92 2d9y s LEU 35 N 2.14 4.34 0.00 3.92 2.96 0.40 -1.39 118.68 131.05 2d9y s LEU 35 Ca 0.05 2.29 0.01 0.00 -0.22 0.00 0.00 54.13 56.25 2d9y s LEU 35 Cb -0.16 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 2d9y s LEU 35 CO -0.21 -0.77 0.02 0.55 -1.32 0.00 0.00 176.35 174.62 2d9y n VAL 36 N 4.54 0.00 -1.59 1.68 3.14 0.15 -2.25 118.33 124.00 2d9y n VAL 36 Ca 0.14 -2.15 -0.51 0.00 -2.96 0.00 0.00 64.34 58.86 2d9y n VAL 36 Cb 0.42 0.48 -0.06 0.00 -1.06 0.00 0.00 33.84 33.62 2d9y n VAL 36 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2d9y n ASP 37 N -1.32 2.71 -4.24 6.55 8.00 -1.26 -1.50 116.55 125.49 2d9y n ASP 37 Ca -0.17 0.71 -0.37 0.00 0.71 0.00 0.00 54.79 55.67 2d9y n ASP 37 Cb 0.57 -1.30 -0.07 0.00 -0.02 0.00 0.00 41.12 40.31 2d9y n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2d9y n ARG 38 N 7.21 -1.02 -3.81 -1.24 1.74 -1.26 -4.82 116.66 113.45 2d9y n ARG 38 Ca 0.31 0.12 -0.05 0.00 -0.77 0.00 0.00 57.85 57.47 2d9y n ARG 38 Cb 0.25 -4.64 0.00 0.00 -1.02 0.00 0.00 32.46 27.04 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 -3.09 -0.66 0.18 0.00 2.96 -0.47 0.31 118.68 117.91 2d9y s LEU 40 Ca 0.15 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.46 2d9y s LEU 40 Cb -0.03 1.20 -0.04 0.00 0.50 0.00 0.00 46.19 47.82 2d9y s LEU 40 CO 0.05 -0.29 0.35 -0.36 -1.32 0.00 0.00 176.35 174.78 2d9y s PHE 41 N 2.57 3.49 0.00 5.38 0.08 -0.49 -0.69 117.98 128.32 2d9y s PHE 41 Ca 0.10 0.26 -0.01 0.00 0.12 0.00 0.00 56.93 57.41 2d9y s PHE 41 Cb -0.15 -1.79 -0.01 0.00 -0.57 0.00 0.00 43.02 40.51 2d9y s PHE 41 CO -0.15 0.43 0.02 1.52 -0.10 0.00 0.00 175.22 176.94 2d9y s TYR 42 N -1.81 0.09 0.17 0.36 -0.85 -1.18 0.19 117.35 114.32 2d9y s TYR 42 Ca 0.37 -0.18 0.05 0.00 -0.52 0.00 0.00 57.07 56.79 2d9y s TYR 42 Cb -0.11 -0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.11 2d9y s TYR 42 CO 0.29 -0.11 -0.09 0.71 -1.52 0.00 0.00 175.55 174.83 2d9y s TYR 43 N -0.68 1.39 0.28 -3.49 1.51 0.30 -3.55 117.35 113.11 2d9y s TYR 43 Ca -0.08 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.24 2d9y s TYR 43 Cb -0.05 -0.72 0.60 0.00 -0.11 0.00 0.00 41.96 41.69 2d9y s TYR 43 CO -0.00 0.11 1.79 -0.22 -1.11 0.00 0.00 175.55 176.12 2d9y h LYS 44 N 2.68 0.78 0.00 -0.62 3.64 -1.86 -1.50 116.57 119.69 2d9y h LYS 44 Ca -0.37 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.87 2d9y h LYS 44 Cb 1.20 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 2d9y h LYS 44 CO 0.64 0.52 0.10 -0.40 -2.27 0.00 0.00 179.45 178.03 2d9y n ASP 45 N -4.75 -1.58 -0.35 4.20 5.75 -1.26 -4.28 116.55 114.29 2d9y n ASP 45 Ca 0.20 -2.36 0.11 0.00 -0.01 0.00 0.00 54.79 52.73 2d9y n ASP 45 Cb 0.45 2.71 0.31 0.00 -1.03 0.00 0.00 41.12 43.55 2d9y n ASP 45 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2d9y h GLU 46 N 0.00 0.80 -1.38 0.11 -0.00 -1.97 -0.07 114.58 112.08 2d9y h GLU 46 Ca -0.25 -0.05 0.40 0.00 -0.00 0.00 0.00 59.36 59.46 2d9y h GLU 46 Cb 0.98 -0.18 -0.06 0.00 -0.00 0.00 0.00 28.75 29.49 2d9y h GLU 46 CO 0.32 0.53 1.15 0.87 -0.00 0.00 0.00 179.01 181.89 2d9y h LYS 47 N 0.83 0.00 -6.45 1.06 1.79 -1.98 -3.43 116.57 108.39 2d9y h LYS 47 Ca 0.54 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 58.54 2d9y h LYS 47 Cb 0.75 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.22 2d9y h LYS 47 CO -0.32 0.00 -0.71 -0.85 -1.08 0.00 0.00 179.45 176.49 2d9y n GLU 48 N -3.75 -0.91 0.02 3.15 0.28 -0.04 -4.78 120.64 114.61 2d9y n GLU 48 Ca 0.31 0.08 -0.10 0.00 -0.16 0.00 0.00 57.16 57.28 2d9y n GLU 48 Cb 1.58 -2.87 -0.04 0.00 1.43 0.00 0.00 31.44 31.54 2d9y n GLU 48 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2d9y h GLU 49 N -0.97 -0.17 -2.98 3.44 3.07 -1.84 -3.44 114.58 111.68 2d9y h GLU 49 Ca -0.48 0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.24 2d9y h GLU 49 Cb 1.04 0.04 -0.26 0.00 -0.84 0.00 0.00 28.75 28.73 2d9y h GLU 49 CO 0.56 -0.12 -0.37 -1.54 -1.40 0.00 0.00 179.01 176.14 2d9y s SER 50 N -5.05 -0.32 0.13 1.42 1.04 -1.26 -5.13 113.70 104.51 2d9y s SER 50 Ca -0.14 0.62 -0.31 0.00 0.48 0.00 0.00 55.95 56.60 2d9y s SER 50 Cb 0.09 0.60 -0.09 0.00 0.10 0.00 0.00 66.02 66.73 2d9y s SER 50 CO 0.67 -0.12 1.53 -0.63 0.98 0.00 0.00 173.24 175.67 2d9y s ILE 51 N 0.38 2.93 -0.17 -1.02 1.01 -1.26 -4.76 121.20 118.31 2d9y s ILE 51 Ca -0.02 0.61 -0.06 0.00 0.00 0.00 0.00 60.65 61.18 2d9y s ILE 51 Cb -0.04 -3.39 -0.22 0.00 0.01 0.00 0.00 42.46 38.82 2d9y s ILE 51 CO -0.02 0.04 0.16 0.18 0.00 0.00 0.00 174.94 175.30 2d9y n LEU 52 N 4.33 2.62 -3.60 2.97 4.77 -1.23 -5.02 117.00 121.83 2d9y n LEU 52 Ca 0.14 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 2d9y n LEU 52 Cb 0.40 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 2d9y n LEU 52 CO 0.61 0.81 0.23 -0.83 -1.33 0.00 0.00 177.39 176.88 2d9y s GLY 53 N -5.75 -0.37 0.19 -0.72 0.00 -1.26 -5.11 107.32 94.31 2d9y s GLY 53 Ca -0.27 0.44 0.10 0.00 0.00 0.00 0.00 44.72 44.98 2d9y s GLY 53 CO 0.69 0.15 -0.19 -0.45 0.00 0.00 0.00 173.10 173.31 2d9y s SER 54 N -2.09 2.98 -0.27 1.64 0.15 -1.26 -3.07 113.70 111.76 2d9y s SER 54 Ca -0.04 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.70 2d9y s SER 54 Cb -0.00 -0.20 0.08 0.00 -1.71 0.00 0.00 66.02 64.19 2d9y s SER 54 CO -0.03 -0.01 0.02 -0.63 1.20 0.00 0.00 173.24 173.79 2d9y s ILE 55 N -2.16 1.33 -0.41 6.45 1.01 0.14 -4.99 121.20 122.56 2d9y s ILE 55 Ca 0.20 -1.39 -0.28 0.00 0.00 0.00 0.00 60.65 59.18 2d9y s ILE 55 Cb -0.05 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 2d9y s ILE 55 CO 0.09 -0.38 1.74 -2.16 0.00 0.00 0.00 174.94 174.23 2d9y s PRO 56 N 1.44 3.21 -0.98 2.79 0.04 -1.26 -1.36 135.00 138.87 2d9y s PRO 56 Ca 0.03 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.19 2d9y s PRO 56 Cb -0.18 -4.21 0.33 0.00 0.04 0.00 0.00 34.50 30.47 2d9y s PRO 56 CO -0.13 -2.02 1.89 1.28 0.04 0.00 0.00 177.00 178.06 2d9y n LEU 57 N 10.62 7.41 0.06 -3.56 4.77 -1.21 -4.80 117.00 130.29 2d9y n LEU 57 Ca 0.21 -5.23 -0.02 0.00 -0.03 0.00 0.00 56.01 50.94 2d9y n LEU 57 Cb 0.48 -1.14 -0.01 0.00 -2.33 0.00 0.00 43.42 40.42 2d9y n LEU 57 CO 0.69 1.97 0.44 0.25 -1.33 0.00 0.00 177.39 179.41 2d9y h LEU 58 N 3.85 -0.13 -3.37 2.23 5.85 -1.82 -3.19 115.31 118.73 2d9y h LEU 58 Ca 0.55 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 59.11 2d9y h LEU 58 Cb 0.23 0.03 -0.27 0.00 0.37 0.00 0.00 40.66 41.03 2d9y h LEU 58 CO 1.26 -0.08 -0.85 -1.54 -0.34 0.00 0.00 178.44 176.88 2d9y n SER 59 N -2.45 1.65 -4.73 1.25 3.41 -1.25 -4.19 113.62 107.30 2d9y n SER 59 Ca -0.02 -2.78 -0.32 0.00 -0.26 0.00 0.00 58.87 55.50 2d9y n SER 59 Cb 0.06 -0.40 0.11 0.00 -0.26 0.00 0.00 64.21 63.72 2d9y n SER 59 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2d9y s PHE 60 N -1.84 2.22 -0.44 7.33 0.40 -1.26 -4.58 117.98 119.80 2d9y s PHE 60 Ca 0.36 1.63 -0.05 0.00 -0.60 0.00 0.00 56.93 58.28 2d9y s PHE 60 Cb 0.38 -3.21 0.12 0.00 0.51 0.00 0.00 43.02 40.81 2d9y s PHE 60 CO -0.10 -2.20 0.26 0.50 0.70 0.00 0.00 175.22 174.38 2d9y s ARG 61 N -4.58 2.18 -0.17 0.44 3.52 0.22 -4.72 118.95 115.84 2d9y s ARG 61 Ca 0.65 -1.86 -0.16 0.00 -0.13 0.00 0.00 55.73 54.23 2d9y s ARG 61 Cb -0.21 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 2d9y s ARG 61 CO 0.53 -1.12 0.39 0.08 -0.81 0.00 0.00 175.30 174.37 2d9y s VAL 62 N 1.11 5.23 0.13 7.11 1.01 -1.26 -1.07 120.40 132.66 2d9y s VAL 62 Ca 0.08 0.72 -0.25 0.00 0.00 0.00 0.00 61.98 62.54 2d9y s VAL 62 Cb -0.23 -3.72 0.08 0.00 0.00 0.00 0.00 36.38 32.50 2d9y s VAL 62 CO -0.03 0.31 1.06 0.00 0.00 0.00 0.00 175.10 176.44 2d9y s ALA 63 N 0.90 -1.76 0.27 5.51 0.00 -0.76 -4.86 121.76 121.05 2d9y s ALA 63 Ca 0.20 -0.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 2d9y s ALA 63 Cb -0.14 0.67 -0.11 0.00 0.00 0.00 0.00 23.12 23.53 2d9y s ALA 63 CO 0.07 -1.06 1.60 0.00 0.00 0.00 0.00 175.76 176.37 2d9y s ALA 64 N -2.60 3.77 0.95 0.00 0.00 -1.26 -0.03 121.76 122.59 2d9y s ALA 64 Ca 0.18 1.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.57 2d9y s ALA 64 Cb -0.01 -3.65 0.17 0.00 0.00 0.00 0.00 23.12 19.63 2d9y s ALA 64 CO 0.03 -0.94 1.12 0.14 0.00 0.00 0.00 175.76 176.11 2d9y s VAL 65 N 0.27 2.14 0.19 0.00 -7.23 -0.78 -4.71 120.40 110.28 2d9y s VAL 65 Ca 0.65 0.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.90 2d9y s VAL 65 Cb -0.47 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2d9y s VAL 65 CO 0.44 -0.06 0.32 -1.10 -0.31 0.00 0.00 175.10 174.38 2d9y s GLN 66 N -4.63 3.44 0.00 4.82 -0.21 -1.26 -4.98 119.66 116.83 2d9y s GLN 66 Ca 0.67 -0.66 0.16 0.00 0.02 0.00 0.00 55.36 55.54 2d9y s GLN 66 Cb -0.23 -2.93 0.93 0.00 1.00 0.00 0.00 33.01 31.78 2d9y s GLN 66 CO 0.59 0.48 1.35 -0.35 -2.12 0.00 0.00 175.29 175.24 2d9y n PRO 67 N -0.89 0.49 -0.76 2.91 -0.04 -1.26 -2.37 135.00 133.08 2d9y n PRO 67 Ca -0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.42 2d9y n PRO 67 Cb 0.55 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.70 2d9y n PRO 67 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d9y n SER 68 N -1.00 1.95 -0.36 3.54 3.41 -1.26 -4.59 113.62 115.31 2d9y n SER 68 Ca 0.12 -3.82 0.04 0.00 -0.26 0.00 0.00 58.87 54.95 2d9y n SER 68 Cb 0.05 -0.51 0.04 0.00 -0.26 0.00 0.00 64.21 63.54 2d9y n SER 68 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2d9y n ASP 69 N -1.03 1.78 -2.62 4.04 8.00 -1.00 -4.99 116.55 120.74 2d9y n ASP 69 Ca 0.21 -1.40 -0.18 0.00 0.71 0.00 0.00 54.79 54.13 2d9y n ASP 69 Cb 0.73 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.87 2d9y n ASP 69 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2d9y n ASN 70 N 0.49 -5.20 -0.08 -2.24 5.15 -1.26 -4.95 115.26 107.17 2d9y n ASN 70 Ca 0.05 -0.33 -0.11 0.00 -0.60 0.00 0.00 54.58 53.60 2d9y n ASN 70 Cb 0.23 -3.91 -0.04 0.00 -0.53 0.00 0.00 39.78 35.53 2d9y n ASN 70 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2d9y n ILE 71 N -4.32 1.46 -3.71 -1.44 2.08 -1.26 -5.00 119.36 107.17 2d9y n ILE 71 Ca -0.03 0.12 -0.24 0.00 0.56 0.00 0.00 62.75 63.15 2d9y n ILE 71 Cb 0.57 -2.28 0.05 0.00 -0.75 0.00 0.00 39.64 37.23 2d9y n ILE 71 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2d9y n SER 72 N -4.54 -3.87 -3.65 4.38 7.64 -1.26 -4.99 113.62 107.34 2d9y n SER 72 Ca -0.16 -0.71 -0.19 0.00 1.01 0.00 0.00 58.87 58.82 2d9y n SER 72 Cb 0.43 -4.41 -0.16 0.00 -1.01 0.00 0.00 64.21 59.05 2d9y n SER 72 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2d9y s ARG 73 N -6.19 0.01 0.67 1.43 0.52 -1.26 -5.15 118.95 108.98 2d9y s ARG 73 Ca 0.38 0.38 -0.16 0.00 -0.52 0.00 0.00 55.73 55.82 2d9y s ARG 73 Cb -0.18 -0.64 0.01 0.00 0.52 0.00 0.00 34.95 34.65 2d9y s ARG 73 CO 0.79 -0.39 1.15 0.15 0.02 0.00 0.00 175.30 177.01 2d9y s LYS 74 N 2.23 2.63 -1.40 3.54 1.02 -1.26 -3.41 119.74 123.10 2d9y s LYS 74 Ca 0.04 1.56 -0.09 0.00 0.02 0.00 0.00 55.97 57.51 2d9y s LYS 74 Cb -0.13 -1.91 0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2d9y s LYS 74 CO -0.06 -1.41 1.02 0.72 -0.92 0.00 0.00 175.35 174.70 2d9y n HIS 75 N -2.37 -2.45 -5.26 3.18 8.25 -1.26 -4.63 115.22 110.69 2d9y n HIS 75 Ca 0.12 0.94 -0.31 0.00 -0.26 0.00 0.00 57.72 58.21 2d9y n HIS 75 Cb 0.51 -4.54 -0.16 0.00 1.12 0.00 0.00 29.99 26.92 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 -3.37 2.02 0.16 1.59 2.01 -1.22 -0.53 115.64 116.31 2d9y s THR 76 Ca 0.47 -1.11 0.06 0.00 0.31 0.00 0.00 61.69 61.42 2d9y s THR 76 Cb -0.22 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2d9y s THR 76 CO 0.78 0.56 -0.14 0.72 -0.69 0.00 0.00 174.62 175.85 2d9y s PHE 77 N -0.61 1.52 0.04 4.92 -0.71 0.12 -1.86 117.98 121.39 2d9y s PHE 77 Ca 0.10 -0.61 0.05 0.00 -1.04 0.00 0.00 56.93 55.43 2d9y s PHE 77 Cb -0.10 -0.75 -0.02 0.00 -1.21 0.00 0.00 43.02 40.94 2d9y s PHE 77 CO -0.01 0.23 -0.14 -1.59 -1.34 0.00 0.00 175.22 172.37 2d9y s LYS 78 N -3.35 0.91 -0.38 1.99 -2.85 0.95 0.01 119.74 117.02 2d9y s LYS 78 Ca 0.17 -0.74 -0.03 0.00 -1.00 0.00 0.00 55.97 54.37 2d9y s LYS 78 Cb -0.01 -0.91 0.09 0.00 -2.06 0.00 0.00 37.83 34.94 2d9y s LYS 78 CO 0.04 0.22 0.15 0.00 0.10 0.00 0.00 175.35 175.87 2d9y s ALA 79 N -0.84 3.07 -0.21 0.59 0.00 0.99 -1.83 121.76 123.52 2d9y s ALA 79 Ca 0.01 -2.33 -0.09 0.00 0.00 0.00 0.00 51.96 49.55 2d9y s ALA 79 Cb -0.08 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 2d9y s ALA 79 CO 0.01 -1.66 0.12 -2.00 0.00 0.00 0.00 175.76 172.23 2d9y s GLU 80 N 1.17 4.05 0.43 0.00 2.12 -0.23 -0.94 118.70 125.31 2d9y s GLU 80 Ca 0.05 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.16 2d9y s GLU 80 Cb -0.22 -3.41 0.01 0.00 0.26 0.00 0.00 34.13 30.78 2d9y s GLU 80 CO -0.03 0.17 0.59 -1.58 -0.54 0.00 0.00 175.26 173.86 2d9y s HIS 81 N 0.72 2.83 0.08 5.30 5.65 -0.92 0.70 115.29 129.65 2d9y s HIS 81 Ca 0.06 -0.35 -0.16 0.00 0.25 0.00 0.00 55.06 54.86 2d9y s HIS 81 Cb -0.13 -2.40 -0.04 0.00 -1.18 0.00 0.00 32.58 28.84 2d9y s HIS 81 CO 0.02 -0.45 0.82 0.00 -0.65 0.00 0.00 174.74 174.48 2d9y n ALA 82 N -1.89 -0.33 -1.42 1.58 0.00 -1.26 -4.32 120.51 112.87 2d9y n ALA 82 Ca 0.08 0.44 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 2d9y n ALA 82 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 2d9y n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d9y n GLY 83 N -1.13 -0.04 0.13 0.00 0.00 -1.26 -5.01 105.19 97.89 2d9y n GLY 83 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 1.64 -3.60 1.61 3.14 -1.26 -5.06 118.33 114.80 2d9y n VAL 84 Ca -0.03 -0.49 -0.03 0.00 -2.96 0.00 0.00 64.34 60.83 2d9y n VAL 84 Cb 0.23 -1.73 -0.02 0.00 -1.06 0.00 0.00 33.84 31.26 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 -2.51 0.33 -0.29 1.45 3.52 -1.26 -5.08 118.95 115.11 2d9y s ARG 85 Ca -0.28 -0.14 -0.02 0.00 -0.13 0.00 0.00 55.73 55.16 2d9y s ARG 85 Cb 0.08 0.14 0.09 0.00 -1.56 0.00 0.00 34.95 33.70 2d9y s ARG 85 CO 0.67 -0.15 0.10 0.99 -0.81 0.00 0.00 175.30 176.10 2d9y s THR 86 N -2.42 0.55 0.72 4.11 2.01 -1.26 -2.17 115.64 117.18 2d9y s THR 86 Ca 0.11 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 2d9y s THR 86 Cb 0.01 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.18 2d9y s THR 86 CO -0.04 -0.62 1.10 -0.31 -0.69 0.00 0.00 174.62 174.06 2d9y s TYR 87 N 1.80 3.19 0.04 4.92 1.51 -0.12 -4.84 117.35 123.85 2d9y s TYR 87 Ca 0.08 0.89 0.01 0.00 -1.01 0.00 0.00 57.07 57.04 2d9y s TYR 87 Cb -0.17 -3.17 -0.03 0.00 -0.11 0.00 0.00 41.96 38.49 2d9y s TYR 87 CO -0.26 -1.33 -0.05 -0.06 -1.11 0.00 0.00 175.55 172.74 2d9y s PHE 88 N -3.38 0.50 -0.09 2.71 0.40 -1.26 -0.01 117.98 116.85 2d9y s PHE 88 Ca 0.59 -0.60 -0.08 0.00 -0.60 0.00 0.00 56.93 56.24 2d9y s PHE 88 Cb -0.11 -0.32 0.02 0.00 0.51 0.00 0.00 43.02 43.12 2d9y s PHE 88 CO 0.50 -0.16 0.24 -0.06 0.70 0.00 0.00 175.22 176.44 2d9y s PHE 89 N -1.82 -0.26 -0.18 0.36 0.08 0.10 -3.59 117.98 112.67 2d9y s PHE 89 Ca -0.09 0.64 0.01 0.00 0.12 0.00 0.00 56.93 57.61 2d9y s PHE 89 Cb -0.07 0.08 0.03 0.00 -0.57 0.00 0.00 43.02 42.49 2d9y s PHE 89 CO -0.02 -0.13 -0.15 0.45 -0.10 0.00 0.00 175.22 175.27 2d9y s SER 90 N 0.22 3.08 0.07 1.36 0.15 -0.37 0.11 113.70 118.33 2d9y s SER 90 Ca -0.01 -0.67 -0.18 0.00 0.70 0.00 0.00 55.95 55.79 2d9y s SER 90 Cb -0.02 -1.32 -0.07 0.00 -1.71 0.00 0.00 66.02 62.90 2d9y s SER 90 CO -0.00 -0.06 0.54 0.00 1.20 0.00 0.00 173.24 174.91 2d9y s ALA 91 N 1.38 3.61 0.21 5.45 0.00 0.32 -2.55 121.76 130.17 2d9y s ALA 91 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 2d9y s ALA 91 Cb -0.14 -2.58 0.16 0.00 0.00 0.00 0.00 23.12 20.56 2d9y s ALA 91 CO -0.11 0.42 1.73 0.93 0.00 0.00 0.00 175.76 178.73 2d9y h GLU 92 N 4.49 1.08 -6.37 0.00 5.08 -1.85 -3.43 114.58 113.58 2d9y h GLU 92 Ca -0.50 -0.26 -0.61 0.00 -1.00 0.00 0.00 59.36 56.99 2d9y h GLU 92 Cb 1.21 -0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 2d9y h GLU 92 CO 0.63 0.97 -0.71 -1.12 -1.00 0.00 0.00 179.01 177.78 2d9y s SER 93 N -6.49 4.23 0.32 1.42 0.01 -1.26 -5.02 113.70 106.91 2d9y s SER 93 Ca -0.12 -0.64 0.11 0.00 1.31 0.00 0.00 55.95 56.61 2d9y s SER 93 Cb 0.15 -0.70 0.53 0.00 0.21 0.00 0.00 66.02 66.21 2d9y s SER 93 CO 0.84 0.07 1.72 1.55 0.41 0.00 0.00 173.24 177.83 2d9y h PRO 94 N 2.62 0.04 -0.36 12.44 0.13 -1.92 -2.79 132.00 142.16 2d9y h PRO 94 Ca -0.46 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2d9y h PRO 94 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2d9y h PRO 94 CO 0.56 0.51 -0.15 1.05 -0.23 0.00 0.00 178.00 179.75 2d9y h GLU 95 N 0.03 0.64 -0.03 0.86 4.11 -1.98 -3.15 114.58 115.06 2d9y h GLU 95 Ca -0.00 -0.21 -0.04 0.00 0.07 0.00 0.00 59.36 59.18 2d9y h GLU 95 Cb 0.87 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2d9y h GLU 95 CO 0.06 0.77 -0.12 0.93 0.07 0.00 0.00 179.01 180.72 2d9y h GLU 96 N 0.58 0.14 -0.40 1.06 5.08 -1.94 -2.96 114.58 116.13 2d9y h GLU 96 Ca 0.10 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2d9y h GLU 96 Cb 0.59 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2d9y h GLU 96 CO 0.04 0.74 -0.28 0.37 -1.00 0.00 0.00 179.01 178.88 2d9y h GLN 97 N -0.44 -0.05 -0.25 2.33 4.15 -1.46 0.16 115.11 119.55 2d9y h GLN 97 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.48 2d9y h GLN 97 Cb 0.76 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.40 2d9y h GLN 97 CO 0.02 -0.04 -0.14 0.93 -1.93 0.00 0.00 178.83 177.68 2d9y h GLU 98 N -0.05 -0.12 -0.80 1.69 5.08 -1.67 -0.69 114.58 118.01 2d9y h GLU 98 Ca 0.07 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.63 2d9y h GLU 98 Cb 0.22 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.37 2d9y h GLU 98 CO -0.41 -0.08 0.16 0.00 -1.00 0.00 0.00 179.01 177.68 2d9y h ALA 99 N 1.06 1.04 0.38 3.43 0.00 -1.00 -1.72 119.26 122.45 2d9y h ALA 99 Ca 0.14 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2d9y h ALA 99 Cb 0.32 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2d9y h ALA 99 CO -0.32 -0.41 -0.18 -1.49 0.00 0.00 0.00 179.25 176.85 2d9y h TRP 100 N 0.20 -0.47 -1.44 0.00 4.06 0.18 0.74 115.95 119.24 2d9y h TRP 100 Ca 0.47 -0.01 0.46 0.00 2.06 0.00 0.00 58.89 61.87 2d9y h TRP 100 Cb 0.88 0.15 -0.12 0.00 -1.00 0.00 0.00 29.16 29.07 2d9y h TRP 100 CO -0.31 -0.14 0.95 0.82 -3.56 0.00 0.00 178.44 176.21 2d9y h ILE 101 N -0.86 0.09 0.00 1.49 2.04 -0.32 0.73 117.51 120.68 2d9y h ILE 101 Ca -0.05 -0.02 -0.13 0.00 1.00 0.00 0.00 64.86 65.66 2d9y h ILE 101 Cb 0.54 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2d9y h ILE 101 CO 0.08 0.01 -0.75 1.56 0.00 0.00 0.00 178.15 179.05 2d9y h GLN 102 N 0.05 0.00 -0.03 2.37 4.20 -1.24 -2.47 115.11 118.00 2d9y h GLN 102 Ca 0.84 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.56 2d9y h GLN 102 Cb 2.81 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 30.57 2d9y h GLN 102 CO -0.34 0.83 -0.16 0.00 -0.67 0.00 0.00 178.83 178.49 2d9y h ALA 103 N -0.44 -0.59 0.00 3.87 0.00 0.13 0.79 119.26 123.03 2d9y h ALA 103 Ca -0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2d9y h ALA 103 Cb 1.06 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2d9y h ALA 103 CO -0.12 -0.64 -0.25 0.00 0.00 0.00 0.00 179.25 178.24 2d9y h MET 104 N -0.18 0.00 -0.77 0.00 -0.00 -1.24 -3.04 114.93 109.70 2d9y h MET 104 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.68 2d9y h MET 104 Cb 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.77 2d9y h MET 104 CO -0.13 0.25 0.38 0.78 -0.00 0.00 0.00 176.91 178.20 2d9y h GLY 105 N 1.61 1.19 1.01 -3.00 0.00 -0.86 -2.84 103.07 100.17 2d9y h GLY 105 Ca -0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 2d9y h GLY 105 CO 0.03 0.55 0.07 1.05 0.00 0.00 0.00 176.54 178.24 2d9y h GLU 106 N 1.09 0.90 -0.40 4.80 4.11 -0.75 -2.49 114.58 121.84 2d9y h GLU 106 Ca 0.27 -0.25 0.12 0.00 0.07 0.00 0.00 59.36 59.56 2d9y h GLU 106 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2d9y h GLU 106 CO -0.04 0.88 0.45 0.00 0.07 0.00 0.00 179.01 180.37 2d9y h ALA 107 N 0.98 2.10 0.00 1.06 0.00 -1.53 0.52 119.26 122.38 2d9y h ALA 107 Ca 0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2d9y h ALA 107 Cb 0.44 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2d9y h ALA 107 CO 0.01 -0.65 -0.71 0.00 0.00 0.00 0.00 179.25 177.91 2d9y h ALA 108 N 1.48 0.67 -2.72 0.00 0.00 -1.40 -3.41 119.26 113.88 2d9y h ALA 108 Ca 0.19 -0.51 -0.52 0.00 0.00 0.00 0.00 54.91 54.07 2d9y h ALA 108 Cb 1.08 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.97 2d9y h ALA 108 CO -0.00 0.64 0.45 -0.98 0.00 0.00 0.00 179.25 179.36 2d9y s ARG 109 N -2.98 3.10 -0.09 0.00 1.70 0.18 -3.77 118.95 117.09 2d9y s ARG 109 Ca 0.02 1.73 0.03 0.00 -0.47 0.00 0.00 55.73 57.04 2d9y s ARG 109 Cb 0.08 -1.96 0.01 0.00 -0.57 0.00 0.00 34.95 32.51 2d9y s ARG 109 CO 0.76 -1.08 -0.19 0.54 -1.08 0.00 0.00 175.30 174.25 2d9y s VAL 110 N -1.70 1.68 -0.16 4.99 0.11 -1.26 -5.00 120.40 119.06 2d9y s VAL 110 Ca 0.75 -0.79 -0.07 0.00 -2.93 0.00 0.00 61.98 58.94 2d9y s VAL 110 Cb -0.27 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 2d9y s VAL 110 CO 0.31 0.48 0.10 -1.58 -3.33 0.00 0.00 175.10 171.08 2d9y s GLN 111 N 0.58 3.77 -0.39 1.54 0.74 -1.26 -5.07 119.66 119.56 2d9y s GLN 111 Ca -0.15 -0.25 -0.14 0.00 0.05 0.00 0.00 55.36 54.87 2d9y s GLN 111 Cb -0.17 -3.22 0.01 0.00 1.10 0.00 0.00 33.01 30.74 2d9y s GLN 111 CO 0.05 0.48 0.28 -1.12 -0.55 0.00 0.00 175.29 174.44 2d9y s SER 112 N -0.20 6.09 -0.34 6.67 0.01 -1.26 -4.94 113.70 119.73 2d9y s SER 112 Ca 0.09 -0.81 -0.07 0.00 1.31 0.00 0.00 55.95 56.47 2d9y s SER 112 Cb -0.12 -2.15 0.21 0.00 0.21 0.00 0.00 66.02 64.18 2d9y s SER 112 CO 0.01 -0.40 1.11 -0.83 0.41 0.00 0.00 173.24 173.54 2d9y s GLY 113 N 1.68 -1.95 -0.77 3.44 0.00 -1.26 -5.06 107.32 103.41 2d9y s GLY 113 Ca 0.05 0.62 -0.25 0.00 0.00 0.00 0.00 44.72 45.13 2d9y s GLY 113 CO 0.10 4.33 1.91 2.56 0.00 0.00 0.00 173.10 182.00 2d9y s PRO 114 N 0.98 2.59 -1.49 2.90 0.04 -1.26 -3.55 135.00 135.22 2d9y s PRO 114 Ca 0.23 0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.28 2d9y s PRO 114 Cb 0.13 -4.75 0.07 0.00 0.04 0.00 0.00 34.50 29.99 2d9y s PRO 114 CO -0.11 -3.08 0.95 0.43 0.04 0.00 0.00 177.00 175.23 2d9y n SER 115 N 13.40 -4.28 -4.46 6.66 7.64 -1.26 -4.88 113.62 126.44 2d9y n SER 115 Ca 0.31 -0.77 -0.44 0.00 1.01 0.00 0.00 58.87 58.98 2d9y n SER 115 Cb 0.49 -3.98 -0.01 0.00 -1.01 0.00 0.00 64.21 59.70 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 -3.49 6.93 0.00 6.43 0.15 -1.23 -5.33 113.70 117.16 2d9y s SER 116 Ca 0.55 -2.70 0.00 0.00 0.70 0.00 0.00 55.95 54.49 2d9y s SER 116 Cb -0.27 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2d9y s SER 116 CO 0.82 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 175.03