#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1noa s ALA 2 N 0.00 2.55 0.43 0.00 0.00 -1.26 -4.73 121.76 118.76 1noa s ALA 2 Ca 0.00 0.70 -0.25 0.00 0.00 0.00 0.00 51.96 52.41 1noa s ALA 2 Cb 0.00 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 1noa s ALA 2 CO 0.00 -1.09 1.25 -1.25 0.00 0.00 0.00 175.76 174.68 1noa s PRO 3 N -3.71 3.84 0.07 0.00 0.04 -1.24 -4.61 135.00 129.39 1noa s PRO 3 Ca 0.70 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1noa s PRO 3 Cb -0.23 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 1noa s PRO 3 CO 0.35 -0.56 -0.04 0.95 0.04 0.00 0.00 177.00 177.74 1noa s THR 4 N -1.36 0.40 0.05 1.26 -4.23 -0.01 -4.54 115.64 107.22 1noa s THR 4 Ca 0.60 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1noa s THR 4 Cb -0.35 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 1noa s THR 4 CO 0.44 -0.95 -0.06 0.00 -0.54 0.00 0.00 174.62 173.50 1noa s ALA 5 N -3.81 0.58 0.04 3.99 0.00 -1.26 -1.22 121.76 120.08 1noa s ALA 5 Ca 0.09 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1noa s ALA 5 Cb 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1noa s ALA 5 CO -0.08 -0.11 -0.09 0.95 0.00 0.00 0.00 175.76 176.43 1noa s THR 6 N -2.02 0.68 -0.08 0.00 -4.23 0.21 -4.93 115.64 105.27 1noa s THR 6 Ca -0.05 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1noa s THR 6 Cb -0.06 -0.69 0.02 0.00 1.34 0.00 0.00 72.50 73.11 1noa s THR 6 CO -0.02 -0.23 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.04 1noa s VAL 7 N -1.10 1.06 -0.07 2.29 1.01 -1.26 -1.42 120.40 120.91 1noa s VAL 7 Ca -0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 1noa s VAL 7 Cb -0.08 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1noa s VAL 7 CO 0.01 0.35 -0.03 -0.89 0.00 0.00 0.00 175.10 174.54 1noa s THR 8 N 1.07 0.56 0.84 3.92 2.01 0.08 -3.71 115.64 120.41 1noa s THR 8 Ca -0.07 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 1noa s THR 8 Cb -0.14 -0.64 0.09 0.00 0.01 0.00 0.00 72.50 71.82 1noa s THR 8 CO -0.01 0.27 1.11 -2.16 -0.69 0.00 0.00 174.62 173.13 1noa s PRO 9 N 1.47 1.75 0.00 4.92 0.04 -1.26 -0.50 135.00 141.42 1noa s PRO 9 Ca -0.02 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1noa s PRO 9 Cb -0.13 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1noa s PRO 9 CO -0.03 -1.83 0.45 -1.13 0.04 0.00 0.00 177.00 174.50 1noa n SER 10 N -3.56 0.90 -4.01 6.66 3.41 -1.24 -4.80 113.62 110.98 1noa n SER 10 Ca 0.07 -1.02 -0.12 0.00 -0.26 0.00 0.00 58.87 57.54 1noa n SER 10 Cb 0.57 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 1noa n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1noa s SER 11 N -0.02 0.33 -1.71 4.04 1.04 -1.26 -1.42 113.70 114.70 1noa s SER 11 Ca 0.00 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.07 1noa s SER 11 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1noa s SER 11 CO 0.00 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1noa n GLY 12 N -0.35 1.57 3.83 7.32 0.00 -1.13 -4.93 105.19 111.50 1noa n GLY 12 Ca 0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1noa n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1noa s LEU 13 N -3.73 3.26 0.23 0.99 1.43 -1.00 -4.97 118.68 114.88 1noa s LEU 13 Ca 0.00 1.60 0.08 0.00 -1.03 0.00 0.00 54.13 54.77 1noa s LEU 13 Cb 0.00 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1noa s LEU 13 CO 0.00 -1.18 -0.12 -0.44 0.23 0.00 0.00 176.35 174.83 1noa s SER 14 N -3.66 2.68 0.18 2.29 0.01 -1.26 -4.46 113.70 109.48 1noa s SER 14 Ca 0.58 -1.07 -0.32 0.00 1.31 0.00 0.00 55.95 56.46 1noa s SER 14 Cb -0.13 -0.15 -0.11 0.00 0.21 0.00 0.00 66.02 65.84 1noa s SER 14 CO 0.50 -0.20 1.64 -0.62 0.41 0.00 0.00 173.24 174.97 1noa s ASP 15 N -3.36 6.49 0.00 2.44 2.15 -1.26 -2.17 116.67 120.95 1noa s ASP 15 Ca 0.25 2.74 0.00 0.00 0.43 0.00 0.00 52.55 55.97 1noa s ASP 15 Cb 0.00 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1noa s ASP 15 CO 0.09 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 174.80 1noa n GLY 16 N 3.87 0.79 3.77 2.66 0.00 0.10 -4.93 105.19 111.45 1noa n GLY 16 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1noa n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1noa s THR 17 N -3.06 2.92 -0.23 2.61 2.01 -0.92 -4.72 115.64 114.25 1noa s THR 17 Ca 0.00 0.70 -0.09 0.00 0.31 0.00 0.00 61.69 62.60 1noa s THR 17 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1noa s THR 17 CO 0.00 -0.00 0.12 -0.69 -0.69 0.00 0.00 174.62 173.36 1noa s VAL 18 N -1.49 5.06 0.21 3.82 1.01 -1.26 -0.79 120.40 126.95 1noa s VAL 18 Ca 0.65 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.80 1noa s VAL 18 Cb -0.31 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1noa s VAL 18 CO 0.37 0.37 -0.11 0.68 0.00 0.00 0.00 175.10 176.41 1noa s VAL 19 N 0.96 3.03 -0.19 2.92 -7.23 0.01 -4.80 120.40 115.10 1noa s VAL 19 Ca 0.06 -1.84 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 1noa s VAL 19 Cb -0.13 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1noa s VAL 19 CO 0.03 -0.19 0.31 -0.75 -0.31 0.00 0.00 175.10 174.20 1noa s LYS 20 N -3.02 4.19 -0.18 4.82 2.20 0.35 -0.58 119.74 127.52 1noa s LYS 20 Ca 0.26 0.07 -0.03 0.00 -0.36 0.00 0.00 55.97 55.91 1noa s LYS 20 Cb -0.08 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1noa s LYS 20 CO 0.15 0.08 -0.06 0.08 -0.36 0.00 0.00 175.35 175.24 1noa s VAL 21 N 0.95 3.51 0.03 4.02 1.01 0.14 -0.74 120.40 129.33 1noa s VAL 21 Ca 0.16 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1noa s VAL 21 Cb -0.14 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1noa s VAL 21 CO 0.06 0.47 -0.18 0.00 0.00 0.00 0.00 175.10 175.44 1noa s ALA 22 N 0.82 1.56 0.06 5.51 0.00 -0.51 -0.92 121.76 128.28 1noa s ALA 22 Ca -0.02 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1noa s ALA 22 Cb -0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1noa s ALA 22 CO 0.01 0.35 -0.13 0.20 0.00 0.00 0.00 175.76 176.19 1noa s GLY 23 N -1.00 0.79 0.08 0.00 0.00 -0.10 -0.62 107.32 106.47 1noa s GLY 23 Ca 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1noa s GLY 23 CO 0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 173.10 172.12 1noa s ALA 24 N -1.17 0.77 -1.03 3.20 0.00 -0.36 -1.80 121.76 121.37 1noa s ALA 24 Ca -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1noa s ALA 24 Cb -0.09 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1noa s ALA 24 CO 0.02 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1noa n GLY 25 N 0.21 1.00 3.93 0.00 0.00 -0.92 -0.83 105.19 108.59 1noa n GLY 25 Ca -0.14 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 1noa n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1noa s LEU 26 N -2.33 2.72 -0.18 0.99 1.43 0.01 -3.66 118.68 117.65 1noa s LEU 26 Ca 0.00 0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 1noa s LEU 26 Cb 0.00 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 1noa s LEU 26 CO 0.00 -2.31 1.09 -1.10 0.23 0.00 0.00 176.35 174.26 1noa s GLN 27 N -5.65 4.29 0.29 1.70 -0.21 -1.26 -4.46 119.66 114.36 1noa s GLN 27 Ca 0.69 1.45 -0.30 0.00 0.02 0.00 0.00 55.36 57.22 1noa s GLN 27 Cb -0.06 -3.64 -0.12 0.00 1.00 0.00 0.00 33.01 30.18 1noa s GLN 27 CO 0.50 -0.57 1.45 0.00 -2.12 0.00 0.00 175.29 174.55 1noa n ALA 28 N 6.03 1.70 -0.98 6.09 0.00 -1.26 -2.22 120.51 129.87 1noa n ALA 28 Ca 0.12 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1noa n ALA 28 Cb 0.46 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1noa n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1noa n GLY 29 N 1.72 0.37 3.85 0.00 0.00 -0.08 -4.98 105.19 106.07 1noa n GLY 29 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1noa n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1noa s THR 30 N -1.84 5.18 0.11 2.61 2.01 -0.94 -4.79 115.64 117.98 1noa s THR 30 Ca 0.00 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 1noa s THR 30 Cb 0.00 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 1noa s THR 30 CO 0.00 0.38 0.97 0.00 -0.69 0.00 0.00 174.62 175.28 1noa s ALA 31 N -1.23 3.25 0.00 7.40 0.00 -1.26 -0.93 121.76 128.99 1noa s ALA 31 Ca 0.24 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1noa s ALA 31 Cb -0.12 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1noa s ALA 31 CO 0.15 -0.03 -0.20 0.71 0.00 0.00 0.00 175.76 176.38 1noa s TYR 32 N -0.01 1.78 0.05 0.00 1.51 0.58 -4.19 117.35 117.08 1noa s TYR 32 Ca 0.47 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 56.11 1noa s TYR 32 Cb -0.24 -1.12 -0.05 0.00 -0.11 0.00 0.00 41.96 40.44 1noa s TYR 32 CO 0.30 0.00 0.33 -0.51 -1.11 0.00 0.00 175.55 174.57 1noa s ASP 33 N -0.66 6.55 -0.10 2.29 1.01 0.27 -0.95 116.67 125.09 1noa s ASP 33 Ca 0.08 0.65 0.04 0.00 0.71 0.00 0.00 52.55 54.02 1noa s ASP 33 Cb -0.08 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.73 1noa s ASP 33 CO -0.00 0.19 -0.21 -0.69 0.21 0.00 0.00 175.17 174.67 1noa s VAL 34 N -1.39 1.87 0.25 -1.27 1.01 0.20 -0.84 120.40 120.24 1noa s VAL 34 Ca 0.32 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1noa s VAL 34 Cb -0.13 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1noa s VAL 34 CO 0.18 0.52 0.63 -0.83 0.00 0.00 0.00 175.10 175.60 1noa s GLY 35 N 0.44 0.00 -0.17 4.51 0.00 -0.43 -1.06 107.32 110.62 1noa s GLY 35 Ca -0.17 -0.36 -0.05 0.00 0.00 0.00 0.00 44.72 44.14 1noa s GLY 35 CO 0.07 -0.21 -0.01 1.62 0.00 0.00 0.00 173.10 174.57 1noa s GLN 36 N -3.92 3.73 0.19 2.90 0.74 -1.26 -1.33 119.66 120.71 1noa s GLN 36 Ca 0.12 -0.48 -0.02 0.00 0.05 0.00 0.00 55.36 55.03 1noa s GLN 36 Cb -0.04 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.03 1noa s GLN 36 CO 0.05 0.21 0.16 0.00 -0.55 0.00 0.00 175.29 175.16 1noa s ALA 38 N -4.12 0.30 -0.25 0.00 0.00 0.88 -0.46 121.76 118.10 1noa s ALA 38 Ca 0.35 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 1noa s ALA 38 Cb 0.06 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1noa s ALA 38 CO 0.10 0.01 1.14 -1.58 0.00 0.00 0.00 175.76 175.42 1noa s TRP 39 N -0.61 3.09 -0.55 0.00 0.52 -1.22 -0.29 118.94 119.88 1noa s TRP 39 Ca -0.04 1.21 0.13 0.00 0.02 0.00 0.00 56.10 57.41 1noa s TRP 39 Cb -0.05 -3.53 -0.15 0.00 -1.15 0.00 0.00 33.47 28.59 1noa s TRP 39 CO -0.00 -1.01 0.53 1.33 0.02 0.00 0.00 176.95 177.82 1noa n VAL 40 N 5.61 0.00 -3.79 4.03 0.24 0.88 -4.76 118.33 120.55 1noa n VAL 40 Ca 0.13 -0.20 -0.04 0.00 -2.04 0.00 0.00 64.34 62.18 1noa n VAL 40 Cb 0.46 0.90 -0.01 0.00 -1.47 0.00 0.00 33.84 33.72 1noa n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1noa s ASP 41 N -2.41 -0.20 -0.29 -1.34 2.15 -1.17 -5.00 116.67 108.41 1noa s ASP 41 Ca 0.04 -0.47 -0.34 0.00 0.43 0.00 0.00 52.55 52.21 1noa s ASP 41 Cb 0.10 0.56 -0.10 0.00 -0.30 0.00 0.00 42.92 43.18 1noa s ASP 41 CO 0.54 -1.04 2.16 0.41 -0.17 0.00 0.00 175.17 177.08 1noa n THR 42 N -0.47 0.27 -1.34 1.71 -1.04 -1.26 -0.90 114.28 111.24 1noa n THR 42 Ca -0.05 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.05 61.55 1noa n THR 42 Cb 0.60 -1.88 -0.05 0.00 -1.82 0.00 0.00 70.33 67.18 1noa n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1noa n GLY 43 N 6.10 1.27 3.10 3.41 0.00 -1.26 -5.01 105.19 112.81 1noa n GLY 43 Ca 0.36 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1noa n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1noa s VAL 44 N -2.39 1.90 -0.09 1.61 1.01 -0.08 -5.08 120.40 117.28 1noa s VAL 44 Ca 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1noa s VAL 44 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1noa s VAL 44 CO 0.00 0.52 0.08 -0.76 0.00 0.00 0.00 175.10 174.93 1noa s LEU 45 N 1.19 4.01 -0.17 3.92 1.43 -1.26 -0.08 118.68 127.72 1noa s LEU 45 Ca 0.01 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1noa s LEU 45 Cb -0.14 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1noa s LEU 45 CO -0.09 0.38 -0.09 0.00 0.23 0.00 0.00 176.35 176.78 1noa s ALA 46 N -0.99 2.73 0.46 4.21 0.00 0.61 -4.40 121.76 124.38 1noa s ALA 46 Ca 0.15 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.17 1noa s ALA 46 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1noa s ALA 46 CO 0.04 -0.00 0.05 0.00 0.00 0.00 0.00 175.76 175.85 1noa s ASN 48 N -3.84 5.37 0.57 0.00 2.47 -0.33 -1.35 114.94 117.82 1noa s ASN 48 Ca 0.23 -3.73 0.25 0.00 0.42 0.00 0.00 52.86 50.04 1noa s ASN 48 Cb 0.05 -1.77 1.65 0.00 -1.45 0.00 0.00 41.25 39.72 1noa s ASN 48 CO 0.12 -0.15 2.22 1.55 -3.72 0.00 0.00 177.10 177.13 1noa h PRO 49 N 5.78 0.00 -0.23 0.43 0.13 -1.87 -2.68 132.00 133.57 1noa h PRO 49 Ca 0.14 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.33 1noa h PRO 49 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1noa h PRO 49 CO 0.78 0.00 0.21 0.00 -0.23 0.00 0.00 178.00 178.76 1noa h ALA 50 N 2.00 1.98 -0.17 -0.56 0.00 -1.93 -2.51 119.26 118.07 1noa h ALA 50 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1noa h ALA 50 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1noa h ALA 50 CO 0.00 -0.33 0.00 -0.25 0.00 0.00 0.00 179.25 178.67 1noa n ASP 51 N -4.03 2.72 -4.72 0.00 8.00 -1.01 -5.04 116.55 112.46 1noa n ASP 51 Ca 0.03 -2.35 -0.36 0.00 0.71 0.00 0.00 54.79 52.81 1noa n ASP 51 Cb 0.35 -0.25 0.08 0.00 -0.02 0.00 0.00 41.12 41.29 1noa n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1noa s PHE 52 N -1.62 2.02 0.47 1.24 0.08 -0.95 -4.55 117.98 114.67 1noa s PHE 52 Ca 0.21 1.54 0.02 0.00 0.12 0.00 0.00 56.93 58.82 1noa s PHE 52 Cb 0.15 -3.62 -0.02 0.00 -0.57 0.00 0.00 43.02 38.96 1noa s PHE 52 CO 0.08 -2.86 0.06 0.45 -0.10 0.00 0.00 175.22 172.84 1noa s SER 53 N -1.62 3.57 0.11 1.36 0.15 -0.22 -4.98 113.70 112.06 1noa s SER 53 Ca 0.80 -1.67 -0.13 0.00 0.70 0.00 0.00 55.95 55.65 1noa s SER 53 Cb -0.35 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1noa s SER 53 CO 0.42 -0.90 0.31 -0.94 1.20 0.00 0.00 173.24 173.33 1noa s SER 54 N -3.76 -0.07 0.05 5.45 1.04 -1.26 -0.63 113.70 114.52 1noa s SER 54 Ca 0.13 -0.49 -0.23 0.00 0.48 0.00 0.00 55.95 55.85 1noa s SER 54 Cb 0.02 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.61 1noa s SER 54 CO 0.08 -0.80 0.52 0.54 0.98 0.00 0.00 173.24 174.56 1noa s VAL 55 N -3.84 0.03 -0.18 5.02 0.11 -0.12 -4.96 120.40 116.47 1noa s VAL 55 Ca 0.04 -0.23 -0.04 0.00 -2.93 0.00 0.00 61.98 58.82 1noa s VAL 55 Cb 0.03 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1noa s VAL 55 CO -0.11 -0.13 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.62 1noa s THR 56 N -2.44 3.91 0.49 5.04 2.01 -1.26 -0.30 115.64 123.09 1noa s THR 56 Ca -0.05 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.38 1noa s THR 56 Cb -0.01 -2.74 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 1noa s THR 56 CO -0.02 0.46 1.32 0.00 -0.69 0.00 0.00 174.62 175.69 1noa s ALA 57 N 0.70 2.97 0.92 7.40 0.00 -0.10 -4.84 121.76 128.80 1noa s ALA 57 Ca -0.01 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.14 1noa s ALA 57 Cb -0.14 -3.52 0.08 0.00 0.00 0.00 0.00 23.12 19.54 1noa s ALA 57 CO 0.02 -1.11 0.48 -0.40 0.00 0.00 0.00 175.76 174.75 1noa n ASP 58 N -0.63 0.12 0.26 0.00 5.68 0.04 -0.91 116.55 121.11 1noa n ASP 58 Ca 0.08 -1.22 0.17 0.00 -0.50 0.00 0.00 54.79 53.32 1noa n ASP 58 Cb 0.45 -0.36 0.79 0.00 -1.14 0.00 0.00 41.12 40.87 1noa n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1noa h ALA 59 N -1.68 1.00 -0.38 2.12 0.00 -1.94 -1.22 119.26 117.16 1noa h ALA 59 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1noa h ALA 59 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1noa h ALA 59 CO 0.12 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1noa n ASN 60 N -2.88 2.96 -0.36 0.00 3.02 -1.26 -4.86 115.26 111.88 1noa n ASN 60 Ca -0.00 -1.93 -0.04 0.00 -0.03 0.00 0.00 54.58 52.58 1noa n ASN 60 Cb 0.21 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 1noa n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1noa n GLY 61 N 1.40 0.52 3.70 7.41 0.00 -0.47 -4.65 105.19 113.11 1noa n GLY 61 Ca 0.19 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1noa n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1noa s SER 62 N -2.91 4.98 -0.07 1.61 0.01 -1.26 -0.81 113.70 115.25 1noa s SER 62 Ca 0.00 -0.34 -0.26 0.00 1.31 0.00 0.00 55.95 56.66 1noa s SER 62 Cb 0.00 -1.13 0.06 0.00 0.21 0.00 0.00 66.02 65.16 1noa s SER 62 CO 0.00 0.07 0.60 0.00 0.41 0.00 0.00 173.24 174.32 1noa s ALA 63 N -1.79 -1.54 -0.04 1.44 0.00 -0.74 -0.78 121.76 118.30 1noa s ALA 63 Ca 0.29 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 1noa s ALA 63 Cb -0.09 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 22.91 1noa s ALA 63 CO 0.20 -0.34 0.08 -1.12 0.00 0.00 0.00 175.76 174.59 1noa s SER 64 N -0.98 -0.02 0.23 0.00 0.01 -1.26 -0.92 113.70 110.77 1noa s SER 64 Ca -0.10 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.21 1noa s SER 64 Cb -0.02 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 1noa s SER 64 CO 0.07 -0.13 0.42 0.28 0.41 0.00 0.00 173.24 174.29 1noa s THR 65 N 1.05 0.01 0.10 1.44 -1.32 -0.09 -4.99 115.64 111.83 1noa s THR 65 Ca -0.08 -1.46 0.03 0.00 -1.21 0.00 0.00 61.69 58.97 1noa s THR 65 Cb -0.12 -2.18 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 1noa s THR 65 CO -0.04 -0.03 0.13 -0.44 -2.21 0.00 0.00 174.62 172.03 1noa s SER 66 N -3.03 5.72 -0.03 8.08 0.01 -1.26 0.29 113.70 123.48 1noa s SER 66 Ca 0.24 0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.50 1noa s SER 66 Cb 0.01 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.67 1noa s SER 66 CO 0.08 0.14 0.07 -0.22 0.41 0.00 0.00 173.24 173.72 1noa s LEU 67 N -2.64 1.39 -0.23 2.44 2.96 0.25 -4.85 118.68 118.00 1noa s LEU 67 Ca 0.31 0.13 -0.17 0.00 -0.22 0.00 0.00 54.13 54.18 1noa s LEU 67 Cb -0.12 0.15 -0.03 0.00 0.50 0.00 0.00 46.19 46.69 1noa s LEU 67 CO 0.24 -0.07 0.47 -0.89 -1.32 0.00 0.00 176.35 174.77 1noa s THR 68 N 0.53 5.13 0.17 3.68 2.01 -1.26 -0.81 115.64 125.09 1noa s THR 68 Ca -0.04 0.82 0.01 0.00 0.31 0.00 0.00 61.69 62.79 1noa s THR 68 Cb -0.06 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1noa s THR 68 CO -0.02 0.16 0.34 0.68 -0.69 0.00 0.00 174.62 175.09 1noa s VAL 69 N 1.82 5.26 -0.03 3.82 -7.23 0.03 -4.90 120.40 119.16 1noa s VAL 69 Ca 0.21 -0.49 0.07 0.00 -1.81 0.00 0.00 61.98 59.95 1noa s VAL 69 Cb -0.15 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 33.04 1noa s VAL 69 CO 0.09 -0.12 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.40 1noa s ARG 70 N -3.24 2.08 0.23 4.82 1.81 -1.26 0.03 118.95 123.42 1noa s ARG 70 Ca 0.37 -0.84 -0.03 0.00 -1.72 0.00 0.00 55.73 53.52 1noa s ARG 70 Cb -0.11 -1.91 0.24 0.00 -0.45 0.00 0.00 34.95 32.72 1noa s ARG 70 CO 0.29 0.44 1.64 -0.09 -0.68 0.00 0.00 175.30 176.90 1noa h ARG 71 N 5.78 0.69 -3.88 3.54 2.43 -1.92 -3.45 114.38 117.57 1noa h ARG 71 Ca -0.38 -0.28 -0.14 0.00 -0.81 0.00 0.00 59.98 58.37 1noa h ARG 71 Cb 1.15 -0.03 -0.19 0.00 -0.42 0.00 0.00 29.97 30.48 1noa h ARG 71 CO 0.47 0.87 -0.59 -1.54 -1.51 0.00 0.00 179.97 177.67 1noa s SER 72 N -6.77 0.22 0.17 -3.80 1.04 -1.26 -0.63 113.70 102.67 1noa s SER 72 Ca -0.09 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 55.58 1noa s SER 72 Cb 0.13 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.49 1noa s SER 72 CO 0.82 -0.44 0.58 0.72 0.98 0.00 0.00 173.24 175.90 1noa s PHE 73 N -2.31 -0.43 -0.37 5.02 -0.12 -0.15 -4.98 117.98 114.65 1noa s PHE 73 Ca -0.08 0.17 -0.28 0.00 -0.05 0.00 0.00 56.93 56.69 1noa s PHE 73 Cb -0.03 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1noa s PHE 73 CO -0.04 -0.88 1.06 -2.00 -0.05 0.00 0.00 175.22 173.32 1noa s GLU 74 N -3.78 3.94 0.21 1.99 2.12 -1.26 0.45 118.70 122.36 1noa s GLU 74 Ca 0.03 0.85 -0.27 0.00 0.36 0.00 0.00 54.97 55.94 1noa s GLU 74 Cb -0.01 -3.79 -0.08 0.00 0.26 0.00 0.00 34.13 30.50 1noa s GLU 74 CO -0.10 -1.03 0.85 0.20 -0.54 0.00 0.00 175.26 174.64 1noa s GLY 75 N 1.90 2.98 -0.02 -1.50 0.00 0.17 -4.70 107.32 106.16 1noa s GLY 75 Ca 0.45 0.46 0.06 0.00 0.00 0.00 0.00 44.72 45.69 1noa s GLY 75 CO 0.20 0.99 -0.21 -1.36 0.00 0.00 0.00 173.10 172.72 1noa s PHE 76 N -1.20 1.86 0.71 1.90 0.40 -0.46 -0.09 117.98 121.10 1noa s PHE 76 Ca 0.39 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 56.27 1noa s PHE 76 Cb -0.24 -1.20 0.05 0.00 0.51 0.00 0.00 43.02 42.14 1noa s PHE 76 CO 0.28 -0.04 1.04 -0.51 0.70 0.00 0.00 175.22 176.69 1noa s LEU 77 N -0.46 2.82 0.44 -0.37 1.43 0.18 -0.95 118.68 121.76 1noa s LEU 77 Ca 0.07 0.63 0.15 0.00 -1.03 0.00 0.00 54.13 53.96 1noa s LEU 77 Cb -0.08 -3.29 1.07 0.00 0.03 0.00 0.00 46.19 43.92 1noa s LEU 77 CO -0.01 -1.56 1.98 -0.26 0.23 0.00 0.00 176.35 176.73 1noa h PHE 78 N -0.64 0.39 0.00 0.29 0.04 -1.90 0.10 116.94 115.23 1noa h PHE 78 Ca -0.45 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1noa h PHE 78 Cb 1.30 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1noa h PHE 78 CO 0.37 0.18 0.00 -0.40 -0.60 0.00 0.00 178.31 177.86 1noa n ASP 79 N -4.46 0.00 0.00 2.17 5.75 -1.26 -4.89 116.55 113.86 1noa n ASP 79 Ca 0.10 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 1noa n ASP 79 Cb 0.41 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1noa n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1noa n GLY 80 N 0.88 0.74 3.76 6.12 0.00 0.36 -5.05 105.19 112.00 1noa n GLY 80 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1noa n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1noa s THR 81 N -2.72 3.13 -0.19 2.61 2.01 -1.26 -4.77 115.64 114.46 1noa s THR 81 Ca 0.00 1.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.77 1noa s THR 81 Cb 0.00 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 1noa s THR 81 CO 0.00 0.22 1.13 -0.60 -0.69 0.00 0.00 174.62 174.69 1noa s ARG 82 N -1.14 4.26 -0.07 4.92 3.52 -1.26 -0.65 118.95 128.54 1noa s ARG 82 Ca 0.50 1.49 -0.05 0.00 -0.13 0.00 0.00 55.73 57.55 1noa s ARG 82 Cb -0.36 -3.68 -0.27 0.00 -1.56 0.00 0.00 34.95 29.07 1noa s ARG 82 CO 0.44 -0.64 0.57 2.35 -0.81 0.00 0.00 175.30 177.21 1noa h TRP 83 N 7.74 0.48 0.00 5.12 7.01 -0.85 -3.48 115.95 131.97 1noa h TRP 83 Ca -0.23 -0.35 0.00 0.00 2.11 0.00 0.00 58.89 60.42 1noa h TRP 83 Cb 1.08 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.13 1noa h TRP 83 CO 0.77 1.59 0.00 0.41 -2.79 0.00 0.00 178.44 178.41 1noa n GLY 84 N 1.85 0.89 3.70 2.65 0.00 -1.17 -4.98 105.19 108.13 1noa n GLY 84 Ca -0.25 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 1noa n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1noa s THR 85 N -1.25 4.55 -0.19 2.61 2.01 -1.26 0.45 115.64 122.56 1noa s THR 85 Ca 0.00 1.83 -0.06 0.00 0.31 0.00 0.00 61.69 63.77 1noa s THR 85 Cb 0.00 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1noa s THR 85 CO 0.00 0.08 0.03 -0.69 -0.69 0.00 0.00 174.62 173.35 1noa s VAL 86 N 1.48 4.35 -0.32 3.82 1.01 0.17 -4.90 120.40 126.02 1noa s VAL 86 Ca 0.53 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 1noa s VAL 86 Cb -0.23 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1noa s VAL 86 CO 0.25 0.44 0.08 -0.62 0.00 0.00 0.00 175.10 175.25 1noa s ASP 87 N 0.67 5.18 0.00 3.32 -1.08 -1.26 -0.97 116.67 122.52 1noa s ASP 87 Ca 0.01 -1.04 0.13 0.00 -0.52 0.00 0.00 52.55 51.14 1noa s ASP 87 Cb -0.14 -1.85 0.74 0.00 -1.46 0.00 0.00 42.92 40.21 1noa s ASP 87 CO 0.02 -0.28 1.27 0.00 0.52 0.00 0.00 175.17 176.71 1noa n THR 89 N -1.13 0.20 -0.77 0.00 -2.24 -1.26 -4.29 114.28 104.79 1noa n THR 89 Ca 0.08 -0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1noa n THR 89 Cb 0.07 0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.48 1noa n THR 89 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1noa n THR 90 N -1.96 0.94 -3.99 4.28 -2.24 -0.36 -5.02 114.28 105.93 1noa n THR 90 Ca 0.03 -1.05 -0.09 0.00 -2.27 0.00 0.00 64.05 60.67 1noa n THR 90 Cb 0.43 0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 68.93 1noa n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1noa s ALA 91 N -1.23 0.16 -0.63 6.98 0.00 -0.83 -4.98 121.76 121.22 1noa s ALA 91 Ca 0.09 -0.68 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 1noa s ALA 91 Cb 0.08 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.46 1noa s ALA 91 CO 0.01 -0.21 0.86 0.00 0.00 0.00 0.00 175.76 176.41 1noa s ALA 92 N -1.99 3.24 0.23 0.00 0.00 -1.26 -4.52 121.76 117.46 1noa s ALA 92 Ca -0.11 -2.02 -0.08 0.00 0.00 0.00 0.00 51.96 49.75 1noa s ALA 92 Cb -0.06 -3.72 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 1noa s ALA 92 CO -0.03 -2.60 0.52 0.00 0.00 0.00 0.00 175.76 173.65 1noa s GLN 94 N -2.95 1.07 -0.05 0.00 -2.07 0.39 -2.30 119.66 113.75 1noa s GLN 94 Ca 0.46 -1.12 0.07 0.00 -1.82 0.00 0.00 55.36 52.94 1noa s GLN 94 Cb -0.11 0.37 -0.01 0.00 -1.09 0.00 0.00 33.01 32.16 1noa s GLN 94 CO 0.24 -0.38 -0.25 0.08 -1.32 0.00 0.00 175.29 173.66 1noa s VAL 95 N -3.94 2.04 0.21 3.63 1.01 -0.17 -1.05 120.40 122.13 1noa s VAL 95 Ca 0.14 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1noa s VAL 95 Cb 0.04 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1noa s VAL 95 CO -0.03 0.57 0.37 -0.83 0.00 0.00 0.00 175.10 175.18 1noa s GLY 96 N -0.27 0.65 0.01 4.51 0.00 -0.44 -0.35 107.32 111.44 1noa s GLY 96 Ca -0.00 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 43.78 1noa s GLY 96 CO 0.03 -0.81 -0.19 1.08 0.00 0.00 0.00 173.10 173.21 1noa s LEU 97 N -3.02 2.10 -0.02 0.66 1.02 -1.26 -1.31 118.68 116.85 1noa s LEU 97 Ca 0.23 -0.43 -0.18 0.00 0.02 0.00 0.00 54.13 53.77 1noa s LEU 97 Cb 0.02 -0.96 0.03 0.00 0.02 0.00 0.00 46.19 45.30 1noa s LEU 97 CO 0.07 0.19 0.39 -0.94 0.02 0.00 0.00 176.35 176.08 1noa s SER 98 N -0.80 -0.29 0.93 2.29 1.04 -0.02 -4.11 113.70 112.74 1noa s SER 98 Ca 0.07 0.20 -0.07 0.00 0.48 0.00 0.00 55.95 56.63 1noa s SER 98 Cb -0.08 0.36 0.11 0.00 0.10 0.00 0.00 66.02 66.51 1noa s SER 98 CO 0.00 -0.49 0.66 -0.90 0.98 0.00 0.00 173.24 173.49 1noa n ASP 99 N 1.15 0.16 0.33 7.02 5.68 0.52 -0.57 116.55 130.83 1noa n ASP 99 Ca -0.21 -1.30 0.22 0.00 -0.50 0.00 0.00 54.79 53.00 1noa n ASP 99 Cb 0.56 -0.49 1.19 0.00 -1.14 0.00 0.00 41.12 41.24 1noa n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1noa h ALA 100 N -1.67 1.00 -0.22 2.12 0.00 -1.90 -0.48 119.26 118.12 1noa h ALA 100 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1noa h ALA 100 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1noa h ALA 100 CO 0.16 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1noa n ALA 101 N -2.06 2.45 -0.90 0.00 0.00 -1.26 -4.97 120.51 113.77 1noa n ALA 101 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1noa n ALA 101 Cb 0.07 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1noa n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1noa n GLY 102 N 1.41 0.58 3.90 0.00 0.00 -0.19 -5.05 105.19 105.85 1noa n GLY 102 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1noa n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1noa s ASN 103 N -2.08 6.47 0.00 1.61 0.01 -1.26 -4.73 114.94 114.95 1noa s ASN 103 Ca 0.00 0.70 0.00 0.00 -0.71 0.00 0.00 52.86 52.85 1noa s ASN 103 Cb 0.00 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.52 1noa s ASN 103 CO 0.00 -0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.06 1noa n GLY 104 N -0.72 -2.13 3.60 0.66 0.00 -1.26 -0.36 105.19 104.98 1noa n GLY 104 Ca -0.02 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 1noa n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1noa s PRO 105 N -1.86 0.07 0.53 1.61 0.04 -1.26 -4.98 135.00 129.15 1noa s PRO 105 Ca 0.00 0.92 -0.21 0.00 0.04 0.00 0.00 61.00 61.75 1noa s PRO 105 Cb 0.00 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 32.82 1noa s PRO 105 CO 0.00 -3.08 1.20 -1.21 0.04 0.00 0.00 177.00 173.95 1noa s GLU 106 N -4.66 3.34 0.78 4.56 2.02 -1.26 -4.68 118.70 118.80 1noa s GLU 106 Ca 0.67 1.83 -0.11 0.00 0.02 0.00 0.00 54.97 57.38 1noa s GLU 106 Cb -0.22 -2.16 0.06 0.00 0.10 0.00 0.00 34.13 31.91 1noa s GLU 106 CO 0.61 -0.91 1.08 0.20 0.02 0.00 0.00 175.26 176.26 1noa s GLY 107 N -1.44 1.65 -0.19 -1.39 0.00 -1.26 -4.60 107.32 100.09 1noa s GLY 107 Ca 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 44.72 45.39 1noa s GLY 107 CO 0.35 0.39 -0.04 0.14 0.00 0.00 0.00 173.10 173.94 1noa s VAL 108 N -3.03 3.64 0.26 1.40 1.01 0.53 -4.90 120.40 119.30 1noa s VAL 108 Ca 0.61 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1noa s VAL 108 Cb -0.16 -2.62 -0.10 0.00 0.00 0.00 0.00 36.38 33.50 1noa s VAL 108 CO 0.55 0.45 1.38 0.00 0.00 0.00 0.00 175.10 177.49 1noa s ALA 109 N 0.92 3.58 0.19 5.51 0.00 -1.26 -1.00 121.76 129.69 1noa s ALA 109 Ca -0.00 1.26 0.07 0.00 0.00 0.00 0.00 51.96 53.29 1noa s ALA 109 Cb -0.15 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1noa s ALA 109 CO 0.01 -0.67 -0.14 0.96 0.00 0.00 0.00 175.76 175.92 1noa s ILE 110 N -0.23 1.59 0.00 0.00 -4.36 -0.97 -4.93 121.20 112.30 1noa s ILE 110 Ca 0.56 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1noa s ILE 110 Cb -0.40 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.34 1noa s ILE 110 CO 0.44 -0.61 -0.05 -0.55 0.24 0.00 0.00 174.94 174.42 1noa s SER 111 N -3.21 0.52 0.00 4.36 0.15 -0.50 -4.57 113.70 110.45 1noa s SER 111 Ca 0.20 -0.16 0.12 0.00 0.70 0.00 0.00 55.95 56.81 1noa s SER 111 Cb -0.00 -0.03 0.26 0.00 -1.71 0.00 0.00 66.02 64.53 1noa s SER 111 CO 0.05 -0.00 1.15 0.49 1.20 0.00 0.00 173.24 176.13 1noa n PHE 112 N 2.69 0.34 1.08 3.44 3.01 -1.26 -2.37 117.46 124.40 1noa n PHE 112 Ca -0.15 -0.34 0.09 0.00 1.01 0.00 0.00 57.45 58.06 1noa n PHE 112 Cb 0.58 -0.02 0.51 0.00 -0.01 0.00 0.00 39.48 40.55 1noa n PHE 112 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86