#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a10 s SER 5 N 0.00 3.65 0.78 1.08 1.04 -1.26 -4.55 113.70 114.44 2a10 s SER 5 Ca 0.00 1.54 -0.13 0.00 0.48 0.00 0.00 55.95 57.84 2a10 s SER 5 Cb 0.00 -2.22 0.06 0.00 0.10 0.00 0.00 66.02 63.96 2a10 s SER 5 CO 0.00 -2.53 1.15 0.00 0.98 0.00 0.00 173.24 172.84 2a10 s ALA 6 N -2.93 2.04 -0.03 5.32 0.00 0.56 -4.46 121.76 122.26 2a10 s ALA 6 Ca 0.63 0.62 0.06 0.00 0.00 0.00 0.00 51.96 53.26 2a10 s ALA 6 Cb -0.18 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 2a10 s ALA 6 CO 0.57 -1.99 -0.20 0.54 0.00 0.00 0.00 175.76 174.68 2a10 s VAL 7 N -2.42 1.60 0.02 0.00 0.11 -0.51 -1.74 120.40 117.46 2a10 s VAL 7 Ca 0.68 -0.84 0.09 0.00 -2.93 0.00 0.00 61.98 58.98 2a10 s VAL 7 Cb -0.23 -1.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.25 2a10 s VAL 7 CO 0.50 0.45 -0.26 -0.83 -3.33 0.00 0.00 175.10 171.64 2a10 s GLY 8 N -0.29 1.33 -0.02 6.54 0.00 -0.27 -1.03 107.32 113.58 2a10 s GLY 8 Ca 0.03 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.56 2a10 s GLY 8 CO 0.01 -1.06 -0.01 -0.45 0.00 0.00 0.00 173.10 171.58 2a10 s SER 9 N -1.02 0.47 0.05 1.64 0.15 -0.49 -1.05 113.70 113.44 2a10 s SER 9 Ca 0.11 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.74 2a10 s SER 9 Cb -0.10 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 2a10 s SER 9 CO 0.01 -0.06 -0.09 -0.51 1.20 0.00 0.00 173.24 173.79 2a10 s ILE 10 N 0.70 0.67 -0.04 6.45 2.07 -0.70 -0.97 121.20 129.39 2a10 s ILE 10 Ca -0.07 -1.15 0.00 0.00 -1.41 0.00 0.00 60.65 58.01 2a10 s ILE 10 Cb -0.10 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.77 2a10 s ILE 10 CO -0.01 -0.36 -0.01 -0.70 -1.91 0.00 0.00 174.94 171.95 2a10 s GLU 11 N -1.68 0.46 0.34 3.50 2.12 -0.47 -0.63 118.70 122.33 2a10 s GLU 11 Ca -0.08 0.05 0.10 0.00 0.36 0.00 0.00 54.97 55.39 2a10 s GLU 11 Cb -0.10 -0.64 -0.06 0.00 0.26 0.00 0.00 34.13 33.60 2a10 s GLU 11 CO 0.01 -0.15 -0.06 0.95 -0.54 0.00 0.00 175.26 175.47 2a10 s THR 12 N 1.16 2.44 -0.21 -1.70 -4.23 -0.28 -0.49 115.64 112.33 2a10 s THR 12 Ca -0.08 -2.13 -0.23 0.00 -1.18 0.00 0.00 61.69 58.08 2a10 s THR 12 Cb -0.14 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 2a10 s THR 12 CO -0.02 -0.22 0.73 -0.51 -0.54 0.00 0.00 174.62 174.07 2a10 s ILE 13 N -2.56 4.93 0.00 2.99 1.10 -1.13 -1.47 121.20 125.05 2a10 s ILE 13 Ca 0.33 1.39 0.00 0.00 -0.51 0.00 0.00 60.65 61.86 2a10 s ILE 13 Cb 0.01 -4.04 0.00 0.00 0.15 0.00 0.00 42.46 38.58 2a10 s ILE 13 CO 0.18 0.02 0.00 0.61 -2.11 0.00 0.00 174.94 173.64 2a10 n GLY 14 N 3.77 0.64 0.26 1.50 0.00 0.10 -4.27 105.19 107.20 2a10 n GLY 14 Ca 0.02 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 2a10 n GLY 14 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2a10 h PHE 15 N 0.00 1.05 -0.94 1.61 3.57 -1.91 -3.24 116.94 117.08 2a10 h PHE 15 Ca 0.00 -0.27 0.15 0.00 3.53 0.00 0.00 57.97 61.37 2a10 h PHE 15 Cb 0.00 -0.24 -0.09 0.00 2.79 0.00 0.00 35.95 38.41 2a10 h PHE 15 CO 0.00 1.07 0.55 -1.35 -2.23 0.00 0.00 178.31 176.35 2a10 h PRO 16 N 0.73 0.78 -0.85 6.41 0.11 -1.98 -1.52 132.00 135.69 2a10 h PRO 16 Ca 0.09 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.17 2a10 h PRO 16 Cb 0.81 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.70 2a10 h PRO 16 CO 0.07 0.51 0.56 0.78 -0.21 0.00 0.00 178.00 179.71 2a10 h GLY 17 N 0.80 1.19 1.73 -0.55 0.00 -1.82 -1.34 103.07 103.08 2a10 h GLY 17 Ca 0.50 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 2a10 h GLY 17 CO -0.33 0.42 -0.61 1.19 0.00 0.00 0.00 176.54 177.22 2a10 h ILE 18 N 1.13 1.38 -0.35 2.60 6.09 -1.40 -0.53 117.51 126.43 2a10 h ILE 18 Ca 0.31 -1.97 -0.01 0.00 -1.37 0.00 0.00 64.86 61.82 2a10 h ILE 18 Cb -0.11 1.99 -0.02 0.00 0.47 0.00 0.00 36.82 39.15 2a10 h ILE 18 CO -0.07 0.59 0.18 0.25 -3.07 0.00 0.00 178.15 176.02 2a10 h LEU 19 N 0.21 0.45 -0.43 2.19 5.85 -1.14 0.14 115.31 122.58 2a10 h LEU 19 Ca -0.01 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2a10 h LEU 19 Cb 1.12 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2a10 h LEU 19 CO 0.10 0.43 0.27 0.00 -0.34 0.00 0.00 178.44 178.90 2a10 h ALA 20 N 1.04 0.54 0.28 1.25 0.00 -1.00 -2.20 119.26 119.18 2a10 h ALA 20 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2a10 h ALA 20 Cb 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2a10 h ALA 20 CO -0.02 -0.04 -0.16 0.00 0.00 0.00 0.00 179.25 179.04 2a10 h ALA 21 N 1.17 -0.40 -0.45 0.00 0.00 -0.92 -2.31 119.26 116.35 2a10 h ALA 21 Ca 0.16 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2a10 h ALA 21 Cb -0.03 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2a10 h ALA 21 CO -0.06 -0.73 -0.09 0.00 0.00 0.00 0.00 179.25 178.37 2a10 h ALA 22 N 0.30 0.32 -0.39 0.00 0.00 -0.84 0.75 119.26 119.41 2a10 h ALA 22 Ca -0.03 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2a10 h ALA 22 Cb 0.33 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2a10 h ALA 22 CO 0.04 -0.44 -0.16 0.22 0.00 0.00 0.00 179.25 178.92 2a10 h ASP 23 N 0.02 0.81 -0.59 0.00 3.58 -1.33 -2.65 116.42 116.26 2a10 h ASP 23 Ca 0.22 -0.39 -0.08 0.00 0.42 0.00 0.00 57.03 57.20 2a10 h ASP 23 Cb 0.33 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2a10 h ASP 23 CO -0.45 1.02 0.08 0.00 -2.88 0.00 0.00 179.24 177.01 2a10 h ALA 24 N 0.82 0.97 0.01 -0.78 0.00 -1.08 -2.97 119.26 116.23 2a10 h ALA 24 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2a10 h ALA 24 Cb 0.70 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2a10 h ALA 24 CO 0.05 0.64 -0.00 0.52 0.00 0.00 0.00 179.25 180.46 2a10 h MET 25 N 0.95 -0.01 0.00 0.00 2.86 -0.66 -1.80 114.93 116.27 2a10 h MET 25 Ca 0.19 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2a10 h MET 25 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 2a10 h MET 25 CO 0.01 0.21 -0.15 -0.24 1.06 0.00 0.00 176.91 177.81 2a10 h VAL 26 N -0.23 0.38 0.00 -2.22 3.04 -1.53 -2.41 116.25 113.28 2a10 h VAL 26 Ca -0.00 -0.89 -0.17 0.00 -1.01 0.00 0.00 66.70 64.63 2a10 h VAL 26 Cb 0.22 1.66 -0.03 0.00 -2.01 0.00 0.00 31.29 31.14 2a10 h VAL 26 CO 0.00 0.14 -1.06 0.11 -1.01 0.00 0.00 177.57 175.76 2a10 h LYS 27 N 0.00 0.00 0.07 4.17 1.57 -1.48 -3.39 116.57 117.52 2a10 h LYS 27 Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 2a10 h LYS 27 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2a10 h LYS 27 CO 0.02 0.53 -1.44 0.00 -0.57 0.00 0.00 179.45 177.98 2a10 h ALA 28 N 1.31 0.38 -2.27 3.86 0.00 -0.98 -3.48 119.26 118.09 2a10 h ALA 28 Ca -0.09 -1.13 -0.33 0.00 0.00 0.00 0.00 54.91 53.36 2a10 h ALA 28 Cb 1.61 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 19.47 2a10 h ALA 28 CO 0.07 1.24 -0.65 0.20 0.00 0.00 0.00 179.25 180.12 2a10 s GLY 29 N -4.93 1.44 -1.31 0.00 0.00 -0.94 -4.69 107.32 96.90 2a10 s GLY 29 Ca -0.06 -1.71 -0.16 0.00 0.00 0.00 0.00 44.72 42.79 2a10 s GLY 29 CO 0.84 -1.59 1.78 0.54 0.00 0.00 0.00 173.10 174.67 2a10 n ARG 30 N -0.35 3.20 -4.38 2.90 1.74 -1.26 -4.64 116.66 113.87 2a10 n ARG 30 Ca -0.05 -3.28 -0.19 0.00 -0.77 0.00 0.00 57.85 53.56 2a10 n ARG 30 Cb 0.64 -3.34 -0.10 0.00 -1.02 0.00 0.00 32.46 28.64 2a10 n ARG 30 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2a10 s ILE 31 N 3.30 1.39 -0.16 0.55 -5.25 -1.26 -4.54 121.20 115.23 2a10 s ILE 31 Ca 0.50 -2.09 -0.00 0.00 -0.99 0.00 0.00 60.65 58.07 2a10 s ILE 31 Cb 0.05 -2.37 -0.00 0.00 2.95 0.00 0.00 42.46 43.09 2a10 s ILE 31 CO 0.03 -0.34 -0.14 -0.89 -1.79 0.00 0.00 174.94 171.81 2a10 s THR 32 N -3.18 2.77 -0.14 8.37 2.01 -0.59 -4.90 115.64 119.97 2a10 s THR 32 Ca 0.28 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 2a10 s THR 32 Cb 0.04 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 2a10 s THR 32 CO 0.10 0.51 1.06 -0.63 -0.69 0.00 0.00 174.62 174.96 2a10 s ILE 33 N 0.88 4.65 -0.04 1.82 1.01 -1.26 -1.07 121.20 127.18 2a10 s ILE 33 Ca -0.04 1.94 0.15 0.00 0.00 0.00 0.00 60.65 62.71 2a10 s ILE 33 Cb -0.15 -4.25 -0.24 0.00 0.01 0.00 0.00 42.46 37.83 2a10 s ILE 33 CO -0.01 -0.06 0.30 1.33 0.00 0.00 0.00 174.94 176.50 2a10 n VAL 34 N 4.85 0.18 0.00 2.92 0.24 -0.25 -4.94 118.33 121.32 2a10 n VAL 34 Ca 0.10 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2a10 n VAL 34 Cb 0.47 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 2a10 n VAL 34 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a10 n GLY 35 N 1.69 -0.03 3.15 7.63 0.00 -1.19 -4.90 105.19 111.54 2a10 n GLY 35 Ca -0.07 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2a10 n GLY 35 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2a10 s TYR 36 N -2.00 0.83 -0.08 1.61 -0.85 -1.26 -1.39 117.35 114.21 2a10 s TYR 36 Ca 0.00 -0.84 0.02 0.00 -0.52 0.00 0.00 57.07 55.73 2a10 s TYR 36 Cb 0.00 -0.49 0.01 0.00 0.38 0.00 0.00 41.96 41.86 2a10 s TYR 36 CO 0.00 -0.15 -0.15 0.42 -1.52 0.00 0.00 175.55 174.15 2a10 s ILE 37 N -3.21 1.37 -0.80 -3.49 1.01 -0.01 -4.97 121.20 111.09 2a10 s ILE 37 Ca 0.07 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 59.88 2a10 s ILE 37 Cb 0.03 -1.24 0.05 0.00 0.01 0.00 0.00 42.46 41.31 2a10 s ILE 37 CO -0.04 0.41 1.25 -0.60 0.00 0.00 0.00 174.94 175.96 2a10 s ARG 38 N 0.71 3.29 0.41 2.79 3.52 -1.26 -1.36 118.95 127.05 2a10 s ARG 38 Ca -0.13 -0.64 0.23 0.00 -0.13 0.00 0.00 55.73 55.06 2a10 s ARG 38 Cb -0.16 -4.49 0.30 0.00 -1.56 0.00 0.00 34.95 29.04 2a10 s ARG 38 CO 0.03 -2.08 1.54 0.00 -0.81 0.00 0.00 175.30 173.98 2a10 h ALA 39 N 9.82 0.94 0.00 6.12 0.00 -1.53 -3.50 119.26 131.11 2a10 h ALA 39 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2a10 h ALA 39 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2a10 h ALA 39 CO 1.28 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.94 2a10 n GLY 40 N 1.11 2.69 2.78 0.00 0.00 -1.24 -4.96 105.19 105.58 2a10 n GLY 40 Ca 0.04 -1.92 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 2a10 n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a10 n SER 41 N 0.00 -5.12 -0.84 1.61 7.64 -1.26 -1.67 113.62 113.98 2a10 n SER 41 Ca 0.00 -0.12 -0.11 0.00 1.01 0.00 0.00 58.87 59.65 2a10 n SER 41 Cb 0.00 -4.23 -0.05 0.00 -1.01 0.00 0.00 64.21 58.93 2a10 n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a10 n ALA 42 N -2.84 -0.17 -2.54 -0.43 0.00 -1.26 -4.89 120.51 108.38 2a10 n ALA 42 Ca -0.14 0.18 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 2a10 n ALA 42 Cb 0.62 -1.50 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 2a10 n ALA 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2a10 s ARG 43 N -2.78 3.83 -0.02 0.00 0.52 -0.67 0.03 118.95 119.85 2a10 s ARG 43 Ca 0.00 0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.53 2a10 s ARG 43 Cb 0.00 -3.10 -0.00 0.00 0.52 0.00 0.00 34.95 32.37 2a10 s ARG 43 CO 0.00 0.62 -0.12 -0.06 0.02 0.00 0.00 175.30 175.76 2a10 s PHE 44 N -1.25 1.15 -0.08 -0.53 0.08 -0.54 -1.17 117.98 115.63 2a10 s PHE 44 Ca 0.29 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.05 2a10 s PHE 44 Cb -0.15 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.48 2a10 s PHE 44 CO 0.16 -0.09 -0.02 0.99 -0.10 0.00 0.00 175.22 176.16 2a10 s THR 45 N 0.02 4.11 -0.08 0.64 2.01 -0.47 -1.13 115.64 120.75 2a10 s THR 45 Ca -0.01 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.71 2a10 s THR 45 Cb -0.08 -2.71 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 2a10 s THR 45 CO 0.01 0.60 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.10 2a10 s LEU 46 N -0.86 2.27 -0.10 4.42 2.96 0.19 -0.83 118.68 126.72 2a10 s LEU 46 Ca 0.13 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2a10 s LEU 46 Cb -0.11 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 2a10 s LEU 46 CO 0.02 0.22 -0.16 0.20 -1.32 0.00 0.00 176.35 175.31 2a10 s ASN 47 N -0.02 3.83 0.12 3.68 0.01 -0.49 -1.72 114.94 120.36 2a10 s ASN 47 Ca -0.07 -0.34 0.05 0.00 -0.71 0.00 0.00 52.86 51.79 2a10 s ASN 47 Cb -0.15 -1.34 -0.04 0.00 0.41 0.00 0.00 41.25 40.14 2a10 s ASN 47 CO 0.05 0.21 -0.11 0.27 -1.51 0.00 0.00 177.10 176.01 2a10 s ILE 48 N 0.05 1.14 0.08 0.60 -4.36 -0.22 -1.10 121.20 117.40 2a10 s ILE 48 Ca -0.06 -1.81 0.04 0.00 -0.26 0.00 0.00 60.65 58.57 2a10 s ILE 48 Cb -0.15 -1.58 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 2a10 s ILE 48 CO 0.05 -0.58 -0.12 -0.13 0.24 0.00 0.00 174.94 174.40 2a10 s ARG 49 N -3.07 0.83 0.00 0.37 1.81 -0.23 -1.11 118.95 117.54 2a10 s ARG 49 Ca 0.10 -1.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.07 2a10 s ARG 49 Cb -0.02 -0.68 0.00 0.00 -0.45 0.00 0.00 34.95 33.80 2a10 s ARG 49 CO 0.01 0.13 0.00 0.41 -0.68 0.00 0.00 175.30 175.18 2a10 n GLY 50 N 0.95 -2.59 3.73 -3.53 0.00 -0.71 -1.55 105.19 101.50 2a10 n GLY 50 Ca -0.19 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 2a10 n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a10 n ASP 51 N 2.43 2.80 -0.25 1.61 10.43 -1.26 -0.32 116.55 131.99 2a10 n ASP 51 Ca 0.00 1.07 -0.01 0.00 2.57 0.00 0.00 54.79 58.42 2a10 n ASP 51 Cb 0.00 -1.55 0.19 0.00 1.84 0.00 0.00 41.12 41.60 2a10 n ASP 51 CO 0.00 0.00 0.00 1.62 -1.07 0.00 0.00 177.20 177.75 2a10 h VAL 52 N 1.93 1.22 -0.53 2.53 3.04 -1.92 0.27 116.25 122.79 2a10 h VAL 52 Ca -0.50 -0.49 -0.08 0.00 -1.01 0.00 0.00 66.70 64.62 2a10 h VAL 52 Cb 1.29 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.67 2a10 h VAL 52 CO 0.59 0.23 -0.01 1.56 -1.01 0.00 0.00 177.57 178.94 2a10 h GLN 53 N 1.08 0.90 -0.15 4.17 1.08 -2.00 -0.87 115.11 119.32 2a10 h GLN 53 Ca 0.28 -0.26 -0.14 0.00 -1.45 0.00 0.00 58.65 57.07 2a10 h GLN 53 Cb -0.03 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 2a10 h GLN 53 CO -0.05 0.90 -0.52 0.93 -0.95 0.00 0.00 178.83 179.14 2a10 h GLU 54 N 0.83 0.43 -0.49 1.46 4.39 -1.52 -1.86 114.58 117.82 2a10 h GLU 54 Ca 0.15 -0.25 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 2a10 h GLU 54 Cb 0.50 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2a10 h GLU 54 CO 0.02 0.84 -0.06 0.28 -1.16 0.00 0.00 179.01 178.94 2a10 h VAL 55 N 0.33 1.27 -0.15 3.13 2.07 -0.82 -0.70 116.25 121.38 2a10 h VAL 55 Ca 0.01 -1.16 0.03 0.00 0.82 0.00 0.00 66.70 66.40 2a10 h VAL 55 Cb 1.02 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2a10 h VAL 55 CO 0.09 0.40 -0.02 0.11 0.02 0.00 0.00 177.57 178.17 2a10 h LYS 56 N 0.75 0.02 -0.46 1.57 1.57 -1.02 0.47 116.57 119.46 2a10 h LYS 56 Ca 0.13 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2a10 h LYS 56 Cb 0.59 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2a10 h LYS 56 CO 0.04 0.01 0.30 1.15 -0.57 0.00 0.00 179.45 180.38 2a10 h THR 57 N 0.02 1.11 -0.44 -0.16 2.02 -1.26 -2.23 112.91 111.96 2a10 h THR 57 Ca 0.07 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2a10 h THR 57 Cb 0.10 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2a10 h THR 57 CO -0.14 0.11 0.23 0.00 0.37 0.00 0.00 175.52 176.09 2a10 h ALA 58 N 1.18 0.57 -0.37 6.16 0.00 -0.96 -2.79 119.26 123.06 2a10 h ALA 58 Ca 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2a10 h ALA 58 Cb -0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2a10 h ALA 58 CO -0.04 0.12 0.23 1.98 0.00 0.00 0.00 179.25 181.53 2a10 h MET 59 N 0.58 0.46 -0.96 0.00 -1.53 -0.69 0.38 114.93 113.16 2a10 h MET 59 Ca 0.15 -0.03 0.06 0.00 -3.44 0.00 0.00 59.70 56.45 2a10 h MET 59 Cb 0.09 -0.10 -0.06 0.00 -0.55 0.00 0.00 31.60 30.97 2a10 h MET 59 CO -0.02 0.30 0.62 0.00 0.14 0.00 0.00 176.91 177.95 2a10 h ALA 60 N 1.14 1.33 -0.51 0.39 0.00 -1.36 -0.45 119.26 119.80 2a10 h ALA 60 Ca 0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2a10 h ALA 60 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2a10 h ALA 60 CO -0.04 0.42 -0.14 0.00 0.00 0.00 0.00 179.25 179.49 2a10 h ALA 61 N 1.43 0.78 -0.42 0.00 0.00 -1.07 -1.77 119.26 118.21 2a10 h ALA 61 Ca 0.41 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2a10 h ALA 61 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2a10 h ALA 61 CO -0.17 0.67 0.25 0.78 0.00 0.00 0.00 179.25 180.78 2a10 h GLY 62 N 0.93 0.61 0.98 0.00 0.00 -0.37 -1.75 103.07 103.47 2a10 h GLY 62 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2a10 h GLY 62 CO 0.05 0.25 0.25 -2.22 0.00 0.00 0.00 176.54 174.87 2a10 h ILE 63 N 0.55 1.16 -0.53 2.60 2.04 -0.94 -0.90 117.51 121.50 2a10 h ILE 63 Ca 0.15 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2a10 h ILE 63 Cb 0.00 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2a10 h ILE 63 CO -0.03 0.16 0.31 0.44 0.00 0.00 0.00 178.15 179.03 2a10 h ASP 64 N 0.58 0.65 -0.40 1.72 3.32 -1.23 -1.93 116.42 119.12 2a10 h ASP 64 Ca 0.16 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2a10 h ASP 64 Cb 0.04 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2a10 h ASP 64 CO -0.03 0.53 0.17 0.00 -1.72 0.00 0.00 179.24 178.19 2a10 h ALA 65 N 1.15 0.51 -0.67 3.45 0.00 -1.06 -2.65 119.26 119.98 2a10 h ALA 65 Ca 0.19 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2a10 h ALA 65 Cb 0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2a10 h ALA 65 CO -0.03 0.10 0.37 0.82 0.00 0.00 0.00 179.25 180.50 2a10 h ILE 66 N 0.50 0.95 0.00 0.00 2.04 -1.02 -2.32 117.51 117.66 2a10 h ILE 66 Ca 0.13 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2a10 h ILE 66 Cb 0.16 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2a10 h ILE 66 CO -0.01 0.12 0.00 0.59 0.00 0.00 0.00 178.15 178.85 2a10 n ASN 67 N -4.80 0.27 -0.82 1.72 5.03 -0.74 -1.26 115.26 114.67 2a10 n ASN 67 Ca 0.09 0.57 0.12 0.00 0.87 0.00 0.00 54.58 56.22 2a10 n ASN 67 Cb 0.18 -0.62 0.14 0.00 -1.02 0.00 0.00 39.78 38.46 2a10 n ASN 67 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2a10 n ARG 68 N -1.80 2.05 -3.47 3.52 1.74 -0.89 -4.94 116.66 112.86 2a10 n ARG 68 Ca 0.03 -1.64 -0.38 0.00 -0.77 0.00 0.00 57.85 55.09 2a10 n ARG 68 Cb 0.20 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.09 2a10 n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2a10 s THR 69 N -2.09 5.24 -0.16 0.55 2.01 -0.39 -5.00 115.64 115.80 2a10 s THR 69 Ca 0.28 0.54 -0.36 0.00 0.31 0.00 0.00 61.69 62.46 2a10 s THR 69 Cb 0.20 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.92 2a10 s THR 69 CO 0.35 0.27 1.88 -0.62 -0.69 0.00 0.00 174.62 175.81 2a10 n GLU 70 N 4.47 1.84 -0.41 4.92 -0.58 -1.26 -2.00 120.64 127.62 2a10 n GLU 70 Ca -0.10 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 2a10 n GLU 70 Cb 0.51 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 28.88 2a10 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2a10 n GLY 71 N 4.54 1.35 3.97 0.62 0.00 -1.26 -4.96 105.19 109.45 2a10 n GLY 71 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 2a10 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a10 s ALA 72 N -3.10 3.88 -0.18 4.61 0.00 -0.85 -4.91 121.76 121.22 2a10 s ALA 72 Ca 0.00 -1.30 -0.28 0.00 0.00 0.00 0.00 51.96 50.39 2a10 s ALA 72 Cb 0.00 -2.09 0.08 0.00 0.00 0.00 0.00 23.12 21.11 2a10 s ALA 72 CO 0.00 -0.72 0.77 -0.51 0.00 0.00 0.00 175.76 175.30 2a10 s ASP 73 N -4.41 -0.64 -0.20 0.00 1.01 -1.26 -4.90 116.67 106.28 2a10 s ASP 73 Ca 0.56 1.00 -0.29 0.00 0.71 0.00 0.00 52.55 54.53 2a10 s ASP 73 Cb -0.10 0.93 -0.00 0.00 1.01 0.00 0.00 42.92 44.76 2a10 s ASP 73 CO 0.38 -0.38 1.12 -0.69 0.21 0.00 0.00 175.17 175.81 2a10 s VAL 74 N -0.38 4.53 -0.10 -1.27 1.01 -1.26 -2.85 120.40 120.08 2a10 s VAL 74 Ca -0.04 1.85 0.03 0.00 0.00 0.00 0.00 61.98 63.82 2a10 s VAL 74 Cb -0.03 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 31.92 2a10 s VAL 74 CO 0.04 -0.16 0.44 0.29 0.00 0.00 0.00 175.10 175.71 2a10 n LYS 75 N 6.36 0.70 -3.60 2.72 4.76 0.36 -5.00 118.16 124.46 2a10 n LYS 75 Ca 0.13 0.26 -0.07 0.00 -2.87 0.00 0.00 58.31 55.75 2a10 n LYS 75 Cb 0.46 -1.72 -0.04 0.00 -1.84 0.00 0.00 35.03 31.88 2a10 n LYS 75 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2a10 s THR 76 N -2.57 0.00 0.01 -0.18 -1.32 -1.22 -5.03 115.64 105.33 2a10 s THR 76 Ca -0.15 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.07 2a10 s THR 76 Cb 0.07 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.12 2a10 s THR 76 CO 0.79 0.00 0.58 -1.66 -2.21 0.00 0.00 174.62 172.12 2a10 s TRP 77 N -1.35 -0.52 0.08 9.09 1.48 -1.26 -1.36 118.94 125.09 2a10 s TRP 77 Ca 0.03 0.74 -0.14 0.00 -1.06 0.00 0.00 56.10 55.67 2a10 s TRP 77 Cb -0.01 0.38 0.02 0.00 -1.16 0.00 0.00 33.47 32.70 2a10 s TRP 77 CO -0.03 -0.63 0.33 0.54 -4.06 0.00 0.00 176.95 173.11 2a10 s VAL 78 N -1.90 0.08 -0.09 -0.66 0.11 -0.14 -5.00 120.40 112.80 2a10 s VAL 78 Ca -0.08 -0.69 0.01 0.00 -2.93 0.00 0.00 61.98 58.29 2a10 s VAL 78 Cb -0.01 -1.08 0.02 0.00 -1.53 0.00 0.00 36.38 33.78 2a10 s VAL 78 CO 0.03 -0.38 -0.12 -0.63 -3.33 0.00 0.00 175.10 170.67 2a10 s ILE 79 N -3.15 1.19 -0.34 7.04 1.01 -1.26 -1.39 121.20 124.29 2a10 s ILE 79 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 2a10 s ILE 79 Cb 0.01 -1.11 0.06 0.00 0.01 0.00 0.00 42.46 41.43 2a10 s ILE 79 CO -0.07 0.38 0.08 -0.63 0.00 0.00 0.00 174.94 174.70 2a10 s ILE 80 N 1.03 3.28 0.29 2.92 -1.09 -0.19 -5.01 121.20 122.43 2a10 s ILE 80 Ca -0.07 -1.49 0.04 0.00 -2.23 0.00 0.00 60.65 56.89 2a10 s ILE 80 Cb -0.15 -2.97 0.29 0.00 -1.58 0.00 0.00 42.46 38.05 2a10 s ILE 80 CO -0.01 -0.28 1.79 -0.65 -1.23 0.00 0.00 174.94 174.57 2a10 h PRO 81 N 8.07 0.80 -1.53 2.79 0.11 -1.94 -1.35 132.00 138.95 2a10 h PRO 81 Ca -0.20 -0.05 -0.41 0.00 0.11 0.00 0.00 66.00 65.46 2a10 h PRO 81 Cb 1.06 -0.18 -0.28 0.00 0.11 0.00 0.00 31.00 31.71 2a10 h PRO 81 CO 0.59 0.53 -0.80 -2.13 -0.21 0.00 0.00 178.00 175.98 2a10 n ARG 82 N -4.73 0.49 -1.90 1.05 0.63 -1.26 -3.01 116.66 107.92 2a10 n ARG 82 Ca 0.21 -2.64 -0.41 0.00 -0.92 0.00 0.00 57.85 54.09 2a10 n ARG 82 Cb 0.49 -1.48 -0.01 0.00 0.45 0.00 0.00 32.46 31.90 2a10 n ARG 82 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2a10 s PRO 83 N 0.11 4.19 0.44 -0.14 0.04 -1.26 -4.97 135.00 133.41 2a10 s PRO 83 Ca 0.32 2.46 -0.24 0.00 0.04 0.00 0.00 61.00 63.59 2a10 s PRO 83 Cb 0.09 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.55 2a10 s PRO 83 CO -0.15 -0.43 1.17 -1.58 0.04 0.00 0.00 177.00 176.06 2a10 s HIS 84 N -1.08 2.92 0.43 0.56 2.46 -1.26 -4.79 115.29 114.53 2a10 s HIS 84 Ca 0.52 1.54 0.09 0.00 0.47 0.00 0.00 55.06 57.68 2a10 s HIS 84 Cb -0.44 -3.39 0.95 0.00 -0.13 0.00 0.00 32.58 29.56 2a10 s HIS 84 CO 0.59 -1.48 2.06 0.93 -2.47 0.00 0.00 174.74 174.38 2a10 h GLU 85 N 2.22 0.44 -0.78 2.88 5.08 -2.00 -1.17 114.58 121.24 2a10 h GLU 85 Ca -0.49 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2a10 h GLU 85 Cb 1.24 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 2a10 h GLU 85 CO 0.61 0.29 0.50 -0.97 -1.00 0.00 0.00 179.01 178.44 2a10 h ASN 86 N 0.45 0.82 -0.27 1.42 -0.00 -1.99 -1.18 115.58 114.83 2a10 h ASN 86 Ca 0.15 -0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.44 2a10 h ASN 86 Cb 0.04 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.17 2a10 h ASN 86 CO -0.03 0.56 0.16 0.58 -0.00 0.00 0.00 177.43 178.69 2a10 h VAL 87 N 0.96 1.10 -0.47 2.57 2.07 -1.60 -2.62 116.25 118.27 2a10 h VAL 87 Ca 0.32 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 2a10 h VAL 87 Cb 0.02 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2a10 h VAL 87 CO -0.12 0.10 0.15 0.58 0.02 0.00 0.00 177.57 178.31 2a10 h VAL 88 N 0.33 1.19 -0.06 2.57 2.07 -1.06 -0.96 116.25 120.33 2a10 h VAL 88 Ca 0.09 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 66.85 2a10 h VAL 88 Cb 0.03 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2a10 h VAL 88 CO -0.02 0.24 -0.55 0.00 0.02 0.00 0.00 177.57 177.26 2a10 h ALA 89 N 1.50 0.95 0.02 1.67 0.00 -1.08 -3.37 119.26 118.95 2a10 h ALA 89 Ca 0.16 -0.51 -0.39 0.00 0.00 0.00 0.00 54.91 54.17 2a10 h ALA 89 Cb 0.19 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 2a10 h ALA 89 CO -0.01 0.70 -2.33 0.28 0.00 0.00 0.00 179.25 177.89 2a10 n VAL 90 N -3.90 1.56 -3.48 0.00 0.31 -1.00 -4.97 118.33 106.85 2a10 n VAL 90 Ca -0.02 -0.52 -0.31 0.00 -0.01 0.00 0.00 64.34 63.48 2a10 n VAL 90 Cb 0.58 -1.61 -0.05 0.00 -0.91 0.00 0.00 33.84 31.85 2a10 n VAL 90 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2a10 s LEU 91 N -6.90 4.17 -0.95 7.52 1.43 -0.40 -4.98 118.68 118.58 2a10 s LEU 91 Ca -0.33 0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 2a10 s LEU 91 Cb 0.09 -3.53 -0.13 0.00 0.03 0.00 0.00 46.19 42.66 2a10 s LEU 91 CO 0.61 -0.07 2.87 -0.81 0.23 0.00 0.00 176.35 179.18 2a10 n PRO 92 N -0.28 2.72 -0.01 1.29 -0.04 -1.26 -4.27 135.00 133.16 2a10 n PRO 92 Ca -0.01 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 2a10 n PRO 92 Cb 0.53 -2.44 0.01 0.00 -0.04 0.00 0.00 33.50 31.55 2a10 n PRO 92 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2a10 n ILE 93 N 3.38 0.70 -2.41 0.52 -5.35 -1.26 -4.68 119.36 110.26 2a10 n ILE 93 Ca 0.58 -0.85 -0.26 0.00 -0.27 0.00 0.00 62.75 61.95 2a10 n ILE 93 Cb 0.39 0.66 0.03 0.00 -1.74 0.00 0.00 39.64 38.98 2a10 n ILE 93 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2a10 s ASP 94 N -0.71 5.58 0.87 7.28 2.15 -1.26 -4.92 116.67 125.66 2a10 s ASP 94 Ca 0.01 0.69 -0.12 0.00 0.43 0.00 0.00 52.55 53.57 2a10 s ASP 94 Cb 0.01 -1.69 0.11 0.00 -0.30 0.00 0.00 42.92 41.05 2a10 s ASP 94 CO 0.01 -1.06 1.10 -0.36 -0.17 0.00 0.00 175.17 174.68 2a10 s PHE 95 N -2.98 2.49 0.11 -5.34 0.08 -1.26 -4.90 117.98 106.18 2a10 s PHE 95 Ca 0.54 1.17 -0.09 0.00 0.12 0.00 0.00 56.93 58.67 2a10 s PHE 95 Cb -0.11 -3.17 -0.00 0.00 -0.57 0.00 0.00 43.02 39.17 2a10 s PHE 95 CO 0.45 -2.22 0.21 -1.54 -0.10 0.00 0.00 175.22 172.02 2a10 s SER 96 N -3.63 0.10 0.39 1.36 1.04 -1.26 -5.05 113.70 106.65 2a10 s SER 96 Ca 0.63 -0.73 0.14 0.00 0.48 0.00 0.00 55.95 56.46 2a10 s SER 96 Cb -0.17 0.37 0.98 0.00 0.10 0.00 0.00 66.02 67.30 2a10 s SER 96 CO 0.56 -0.78 1.86 -0.65 0.98 0.00 0.00 173.24 175.21 2a10 h PRO 97 N 2.69 0.50 0.00 4.02 0.11 -2.00 -1.42 132.00 135.91 2a10 h PRO 97 Ca -0.33 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 2a10 h PRO 97 Cb 1.21 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2a10 h PRO 97 CO 0.54 0.33 -0.15 0.93 -0.21 0.00 0.00 178.00 179.44 2a10 h GLU 98 N 0.52 0.00 -0.36 1.05 3.07 -2.01 -2.68 114.58 114.16 2a10 h GLU 98 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2a10 h GLU 98 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 2a10 h GLU 98 CO -0.20 0.15 0.00 1.33 -1.40 0.00 0.00 179.01 178.89 2a10 n VAL 99 N -3.95 0.83 -0.30 3.13 0.24 -0.58 -4.66 118.33 113.03 2a10 n VAL 99 Ca -0.02 -0.92 0.01 0.00 -2.04 0.00 0.00 64.34 61.38 2a10 n VAL 99 Cb 0.24 0.63 0.20 0.00 -1.47 0.00 0.00 33.84 33.44 2a10 n VAL 99 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2a10 h GLU 100 N 2.54 1.09 -0.40 7.34 4.57 -1.07 -1.95 114.58 126.70 2a10 h GLU 100 Ca 0.00 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2a10 h GLU 100 Cb 0.75 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 2a10 h GLU 100 CO 0.00 0.72 0.25 -1.35 -1.18 0.00 0.00 179.01 177.45 2a10 h PRO 101 N 1.12 0.53 0.00 0.92 0.11 -1.83 -2.85 132.00 130.01 2a10 h PRO 101 Ca 0.36 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.28 2a10 h PRO 101 Cb 0.02 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 2a10 h PRO 101 CO -0.11 0.37 -0.79 0.74 -0.21 0.00 0.00 178.00 178.00 2a10 h PHE 102 N 0.55 0.00 -0.13 0.65 0.04 -1.71 -3.02 116.94 113.31 2a10 h PHE 102 Ca 0.15 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 2a10 h PHE 102 Cb -0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2a10 h PHE 102 CO 0.00 0.68 -0.23 -0.09 -0.60 0.00 0.00 178.31 178.07 2a10 h ARG 103 N 0.00 0.22 0.00 1.51 2.43 -1.20 -3.03 114.38 114.32 2a10 h ARG 103 Ca -0.03 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 58.95 2a10 h ARG 103 Cb 1.54 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.06 2a10 h ARG 103 CO 0.08 0.45 -0.57 0.93 -1.51 0.00 0.00 179.97 179.35 2a10 h GLU 104 N 0.21 0.00 -0.02 0.20 5.08 -1.39 -3.50 114.58 115.16 2a10 h GLU 104 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2a10 h GLU 104 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2a10 h GLU 104 CO 0.04 0.57 0.00 0.00 -1.00 0.00 0.00 179.01 178.62