#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9f s SER 2 N 0.00 0.18 -0.02 1.61 0.15 -1.26 -5.06 113.70 109.29 2d9f s SER 2 Ca 0.00 -0.40 -0.20 0.00 0.70 0.00 0.00 55.95 56.05 2d9f s SER 2 Cb 0.00 0.12 -0.33 0.00 -1.71 0.00 0.00 66.02 64.10 2d9f s SER 2 CO 0.00 -0.29 0.92 0.77 1.20 0.00 0.00 173.24 175.84 2d9f h SER 3 N 4.67 0.60 0.00 5.45 4.64 -2.07 -3.50 113.55 123.34 2d9f h SER 3 Ca -0.31 -0.94 0.00 0.00 -0.47 0.00 0.00 61.79 60.07 2d9f h SER 3 Cb 1.21 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2d9f h SER 3 CO 0.41 1.51 0.00 0.61 -0.87 0.00 0.00 176.83 178.49 2d9f n GLY 4 N 1.69 0.85 3.66 -0.77 0.00 -1.26 -5.13 105.19 104.23 2d9f n GLY 4 Ca -0.15 -0.96 -0.45 0.00 0.00 0.00 0.00 46.02 44.46 2d9f n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d9f n SER 5 N 0.00 2.56 -0.03 1.61 2.88 -1.26 -4.90 113.62 114.49 2d9f n SER 5 Ca 0.00 1.15 -0.03 0.00 -1.33 0.00 0.00 58.87 58.66 2d9f n SER 5 Cb 0.00 -1.40 -0.03 0.00 -0.75 0.00 0.00 64.21 62.02 2d9f n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2d9f n SER 6 N 2.04 3.75 0.00 -3.46 3.41 -1.26 -5.12 113.62 112.98 2d9f n SER 6 Ca 0.12 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2d9f n SER 6 Cb 0.31 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2d9f n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d9f n GLY 7 N 2.87 4.73 2.66 5.00 0.00 -1.26 -4.98 105.19 114.20 2d9f n GLY 7 Ca -0.09 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 2d9f n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d9f n GLU 8 N -1.77 2.84 0.00 1.61 -0.58 -1.26 -4.11 120.64 117.37 2d9f n GLU 8 Ca 0.00 -2.99 0.00 0.00 -0.42 0.00 0.00 57.16 53.75 2d9f n GLU 8 Cb 0.00 -2.24 0.00 0.00 -0.57 0.00 0.00 31.44 28.63 2d9f n GLU 8 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2d9f n GLU 9 N 0.33 0.40 -4.36 3.49 4.71 -1.26 -5.12 120.64 118.83 2d9f n GLU 9 Ca 0.52 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 57.48 2d9f n GLU 9 Cb 0.39 -0.67 -0.10 0.00 -1.01 0.00 0.00 31.44 30.05 2d9f n GLU 9 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2d9f s TRP 10 N -1.34 1.69 -0.11 -0.32 0.52 -1.26 -4.77 118.94 113.34 2d9f s TRP 10 Ca 0.00 -0.90 0.03 0.00 0.02 0.00 0.00 56.10 55.24 2d9f s TRP 10 Cb 0.00 -1.00 -0.00 0.00 -1.15 0.00 0.00 33.47 31.32 2d9f s TRP 10 CO 0.00 0.00 -0.21 -1.17 0.02 0.00 0.00 176.95 175.59 2d9f s LEU 11 N -3.36 2.22 -0.65 2.99 0.20 -0.94 -4.85 118.68 114.29 2d9f s LEU 11 Ca 0.30 -0.52 -0.25 0.00 0.69 0.00 0.00 54.13 54.35 2d9f s LEU 11 Cb 0.06 -1.46 0.04 0.00 -0.43 0.00 0.00 46.19 44.41 2d9f s LEU 11 CO 0.11 0.14 1.10 1.51 -0.29 0.00 0.00 176.35 178.91 2d9f s ASP 12 N 0.45 6.25 0.16 3.68 -4.77 -1.26 -1.89 116.67 119.29 2d9f s ASP 12 Ca -0.15 -0.51 -0.07 0.00 -3.30 0.00 0.00 52.55 48.53 2d9f s ASP 12 Cb -0.17 -2.49 0.02 0.00 -1.09 0.00 0.00 42.92 39.19 2d9f s ASP 12 CO 0.06 -1.53 1.46 0.40 0.70 0.00 0.00 175.17 176.26 2d9f h ILE 13 N 6.03 1.30 0.00 2.11 2.04 -1.82 -3.30 117.51 123.87 2d9f h ILE 13 Ca -0.27 -1.77 -0.33 0.00 1.00 0.00 0.00 64.86 63.48 2d9f h ILE 13 Cb 1.06 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 38.79 2d9f h ILE 13 CO 1.19 0.56 -2.22 0.18 0.00 0.00 0.00 178.15 177.87 2d9f n LEU 14 N -3.98 0.19 0.00 1.44 4.77 -1.26 -5.01 117.00 113.15 2d9f n LEU 14 Ca -0.04 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2d9f n LEU 14 Cb 0.62 0.41 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 2d9f n LEU 14 CO 0.49 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 2d9f n GLY 15 N 1.68 2.67 0.35 -0.72 0.00 -1.25 -4.89 105.19 103.04 2d9f n GLY 15 Ca -0.28 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.34 2d9f n GLY 15 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2d9f h ASN 16 N 0.51 0.88 0.00 1.61 7.08 -1.93 -3.47 115.58 120.26 2d9f h ASN 16 Ca 0.00 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 2d9f h ASN 16 Cb 0.00 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 36.03 2d9f h ASN 16 CO 0.00 0.62 0.00 0.61 -2.08 0.00 0.00 177.43 176.58 2d9f n GLY 17 N -1.42 1.84 0.20 9.14 0.00 -1.26 -5.01 105.19 108.68 2d9f n GLY 17 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 2d9f n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d9f h LEU 18 N 0.00 -0.40 -8.79 0.99 -0.00 -1.90 -3.41 115.31 101.80 2d9f h LEU 18 Ca 0.00 0.01 -0.57 0.00 -0.00 0.00 0.00 57.88 57.33 2d9f h LEU 18 Cb 0.00 0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 40.71 2d9f h LEU 18 CO 0.00 -0.17 1.01 -0.22 -0.00 0.00 0.00 178.44 179.06 2d9f s LEU 19 N -7.14 3.64 0.23 1.67 2.96 -1.26 -3.78 118.68 115.01 2d9f s LEU 19 Ca -0.07 0.76 0.10 0.00 -0.22 0.00 0.00 54.13 54.70 2d9f s LEU 19 Cb 0.01 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 2d9f s LEU 19 CO 0.21 -1.32 -0.18 -0.13 -1.32 0.00 0.00 176.35 173.61 2d9f s ARG 20 N 4.67 1.47 -0.06 1.98 0.52 -1.18 -2.28 118.95 124.07 2d9f s ARG 20 Ca 0.56 -1.63 -0.00 0.00 -0.52 0.00 0.00 55.73 54.14 2d9f s ARG 20 Cb -0.12 -1.45 0.03 0.00 0.52 0.00 0.00 34.95 33.93 2d9f s ARG 20 CO 0.31 0.27 -0.02 0.21 0.02 0.00 0.00 175.30 176.09 2d9f s LYS 21 N -3.41 0.68 -0.28 3.54 2.20 -0.79 -2.71 119.74 118.96 2d9f s LYS 21 Ca 0.24 0.01 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 2d9f s LYS 21 Cb -0.04 -0.88 0.07 0.00 -1.51 0.00 0.00 37.83 35.48 2d9f s LYS 21 CO 0.10 -0.20 -0.05 0.21 -0.36 0.00 0.00 175.35 175.06 2d9f s LYS 22 N 1.45 1.88 -0.48 4.03 2.20 -0.23 -2.21 119.74 126.38 2d9f s LYS 22 Ca -0.03 -1.47 -0.27 0.00 -0.36 0.00 0.00 55.97 53.84 2d9f s LYS 22 Cb -0.13 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.23 2d9f s LYS 22 CO -0.03 -0.70 1.95 0.99 -0.36 0.00 0.00 175.35 177.20 2d9f s THR 23 N 1.09 3.32 0.08 3.43 2.01 -1.26 -0.56 115.64 123.74 2d9f s THR 23 Ca -0.02 0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.11 2d9f s THR 23 Cb -0.19 -3.63 -0.23 0.00 0.01 0.00 0.00 72.50 68.45 2d9f s THR 23 CO -0.07 -0.54 1.20 -0.07 -0.69 0.00 0.00 174.62 174.45 2d9f h LEU 24 N 16.01 0.85 -6.52 4.42 3.38 -1.10 -3.44 115.31 128.91 2d9f h LEU 24 Ca -0.29 -0.69 -0.26 0.00 0.09 0.00 0.00 57.88 56.73 2d9f h LEU 24 Cb 1.19 -0.26 -0.32 0.00 0.09 0.00 0.00 40.66 41.36 2d9f h LEU 24 CO 1.13 1.49 -0.58 -0.69 0.09 0.00 0.00 178.44 179.89 2d9f s VAL 25 N -3.26 -0.48 0.63 1.22 1.01 0.65 -4.99 120.40 115.19 2d9f s VAL 25 Ca -0.09 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 2d9f s VAL 25 Cb 0.07 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2d9f s VAL 25 CO 0.91 -0.29 1.12 -2.16 0.00 0.00 0.00 175.10 174.68 2d9f s PRO 26 N 2.43 2.95 0.65 2.72 0.04 -1.26 0.60 135.00 143.13 2d9f s PRO 26 Ca 0.10 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.63 2d9f s PRO 26 Cb -0.14 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.54 2d9f s PRO 26 CO -0.23 -1.14 0.90 0.20 0.04 0.00 0.00 177.00 176.77 2d9f s GLY 27 N -2.37 1.75 0.91 0.56 0.00 -1.26 -4.80 107.32 102.11 2d9f s GLY 27 Ca 0.68 -1.93 -0.12 0.00 0.00 0.00 0.00 44.72 43.36 2d9f s GLY 27 CO 0.38 -1.41 1.09 2.56 0.00 0.00 0.00 173.10 175.72 2d9f s PRO 28 N -4.92 1.16 0.00 2.90 0.04 -1.26 -4.91 135.00 128.01 2d9f s PRO 28 Ca 0.64 0.79 0.15 0.00 0.04 0.00 0.00 61.00 62.62 2d9f s PRO 28 Cb -0.05 -1.80 0.75 0.00 0.04 0.00 0.00 34.50 33.43 2d9f s PRO 28 CO 0.42 -2.30 1.41 -0.35 0.04 0.00 0.00 177.00 176.22 2d9f n PRO 29 N -3.92 0.21 0.02 0.56 -0.04 -1.26 -2.64 135.00 127.94 2d9f n PRO 29 Ca 0.07 0.14 -0.11 0.00 -0.04 0.00 0.00 63.50 63.56 2d9f n PRO 29 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2d9f n PRO 29 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2d9f h GLY 30 N 2.45 0.10 -1.00 0.55 0.00 -1.98 -3.47 103.07 99.71 2d9f h GLY 30 Ca 0.00 -0.25 -0.41 0.00 0.00 0.00 0.00 47.33 46.67 2d9f h GLY 30 CO 0.00 0.22 -0.03 -1.35 0.00 0.00 0.00 176.54 175.38 2d9f s SER 31 N -6.52 0.12 -0.29 0.19 1.04 -1.08 -5.07 113.70 102.09 2d9f s SER 31 Ca -0.06 1.13 -0.22 0.00 0.48 0.00 0.00 55.95 57.28 2d9f s SER 31 Cb 0.08 -1.69 0.15 0.00 0.10 0.00 0.00 66.02 64.66 2d9f s SER 31 CO 0.83 -4.67 1.11 -0.94 0.98 0.00 0.00 173.24 170.55 2d9f s SER 32 N -2.95 -0.36 0.20 7.02 1.04 -1.26 -4.92 113.70 112.47 2d9f s SER 32 Ca 0.69 0.64 -0.26 0.00 0.48 0.00 0.00 55.95 57.50 2d9f s SER 32 Cb -0.18 0.84 -0.16 0.00 0.10 0.00 0.00 66.02 66.62 2d9f s SER 32 CO 0.61 -0.11 0.47 0.54 0.98 0.00 0.00 173.24 175.73 2d9f n ARG 33 N 2.61 0.00 0.00 4.02 1.74 -1.26 -3.84 116.66 119.92 2d9f n ARG 33 Ca -0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2d9f n ARG 33 Cb 0.57 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 2d9f n ARG 33 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2d9f n PRO 34 N 0.96 -0.81 -4.55 5.56 -0.04 -1.26 -4.91 135.00 129.95 2d9f n PRO 34 Ca 0.17 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.34 2d9f n PRO 34 Cb 0.24 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.57 2d9f n PRO 34 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2d9f s VAL 35 N -0.90 2.09 0.03 0.52 0.11 -1.26 -5.00 120.40 115.99 2d9f s VAL 35 Ca 0.00 -1.57 -0.30 0.00 -2.93 0.00 0.00 61.98 57.18 2d9f s VAL 35 Cb 0.00 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 2d9f s VAL 35 CO 0.00 0.16 1.11 -0.75 -3.33 0.00 0.00 175.10 172.29 2d9f s LYS 36 N -1.71 4.48 0.00 1.54 2.20 -1.26 -3.42 119.74 121.56 2d9f s LYS 36 Ca 0.12 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 2d9f s LYS 36 Cb -0.10 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2d9f s LYS 36 CO 0.04 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 2d9f n GLY 37 N 3.09 0.84 3.76 5.54 0.00 0.38 -4.96 105.19 113.84 2d9f n GLY 37 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2d9f n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d9f s GLN 38 N -0.59 2.44 -0.62 1.61 -0.21 -1.22 -4.84 119.66 116.23 2d9f s GLN 38 Ca 0.00 -1.50 -0.28 0.00 0.02 0.00 0.00 55.36 53.60 2d9f s GLN 38 Cb 0.00 -2.23 0.03 0.00 1.00 0.00 0.00 33.01 31.81 2d9f s GLN 38 CO 0.00 0.10 1.19 0.08 -2.12 0.00 0.00 175.29 174.55 2d9f s VAL 39 N -2.41 3.97 -0.23 1.09 1.01 0.27 -2.96 120.40 121.15 2d9f s VAL 39 Ca 0.38 0.71 -0.10 0.00 0.00 0.00 0.00 61.98 62.98 2d9f s VAL 39 Cb -0.03 -4.77 -0.05 0.00 0.00 0.00 0.00 36.38 31.54 2d9f s VAL 39 CO 0.23 -1.47 0.14 0.68 0.00 0.00 0.00 175.10 174.69 2d9f s VAL 40 N 5.08 5.23 -0.21 2.92 -7.23 -0.77 -1.86 120.40 123.55 2d9f s VAL 40 Ca 0.40 0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.67 2d9f s VAL 40 Cb -0.08 -3.42 -0.00 0.00 0.56 0.00 0.00 36.38 33.44 2d9f s VAL 40 CO 0.22 0.37 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.42 2d9f s THR 41 N 0.90 3.08 0.19 5.32 2.01 -1.17 -2.55 115.64 123.43 2d9f s THR 41 Ca 0.07 -0.59 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 2d9f s THR 41 Cb -0.13 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 2d9f s THR 41 CO 0.03 0.45 0.09 0.68 -0.69 0.00 0.00 174.62 175.18 2d9f s VAL 42 N 1.42 0.21 -0.27 3.82 -7.23 -0.16 -2.64 120.40 115.55 2d9f s VAL 42 Ca 0.05 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.20 2d9f s VAL 42 Cb -0.14 -2.37 0.01 0.00 0.56 0.00 0.00 36.38 34.44 2d9f s VAL 42 CO -0.05 -0.17 0.03 -2.28 -0.31 0.00 0.00 175.10 172.32 2d9f s HIS 43 N -4.00 3.11 0.21 2.82 2.46 -1.15 -1.59 115.29 117.16 2d9f s HIS 43 Ca 0.33 -1.08 0.08 0.00 0.47 0.00 0.00 55.06 54.86 2d9f s HIS 43 Cb 0.07 -2.19 -0.05 0.00 -0.13 0.00 0.00 32.58 30.28 2d9f s HIS 43 CO 0.09 -0.60 -0.15 -0.48 -2.47 0.00 0.00 174.74 171.13 2d9f s LEU 44 N 1.46 2.56 -0.16 8.88 -0.00 -1.20 -3.18 118.68 127.03 2d9f s LEU 44 Ca 0.02 -1.02 -0.05 0.00 -0.00 0.00 0.00 54.13 53.08 2d9f s LEU 44 Cb -0.17 -0.70 0.08 0.00 -0.00 0.00 0.00 46.19 45.40 2d9f s LEU 44 CO 0.00 -0.16 0.33 -1.10 -0.00 0.00 0.00 176.35 175.42 2d9f s GLN 45 N -3.62 0.23 -0.15 1.48 -0.21 -1.26 -3.45 119.66 112.67 2d9f s GLN 45 Ca 0.23 0.83 -0.25 0.00 0.02 0.00 0.00 55.36 56.19 2d9f s GLN 45 Cb -0.01 0.05 -0.02 0.00 1.00 0.00 0.00 33.01 34.03 2d9f s GLN 45 CO 0.07 -0.30 0.81 0.99 -2.12 0.00 0.00 175.29 174.74 2d9f s THR 46 N 2.50 4.91 -0.01 -0.19 2.01 -1.09 -4.15 115.64 119.62 2d9f s THR 46 Ca 0.01 1.60 -0.01 0.00 0.31 0.00 0.00 61.69 63.60 2d9f s THR 46 Cb -0.12 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.27 2d9f s THR 46 CO -0.11 0.07 0.03 -0.94 -0.69 0.00 0.00 174.62 172.99 2d9f s SER 47 N 1.10 0.00 0.49 3.53 1.04 -1.15 0.08 113.70 118.80 2d9f s SER 47 Ca 0.38 -0.02 -0.22 0.00 0.48 0.00 0.00 55.95 56.57 2d9f s SER 47 Cb -0.17 0.09 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 2d9f s SER 47 CO 0.14 -0.07 1.24 -0.76 0.98 0.00 0.00 173.24 174.77 2d9f s LEU 48 N -0.25 3.95 0.64 2.42 2.01 -1.04 -0.85 118.68 125.56 2d9f s LEU 48 Ca -0.03 2.47 0.21 0.00 0.01 0.00 0.00 54.13 56.80 2d9f s LEU 48 Cb -0.02 -4.26 1.03 0.00 0.01 0.00 0.00 46.19 42.95 2d9f s LEU 48 CO -0.00 -1.17 1.55 -0.08 1.01 0.00 0.00 176.35 177.67 2d9f h GLU 49 N 1.81 0.00 0.10 1.70 4.81 -1.93 0.37 114.58 121.44 2d9f h GLU 49 Ca -0.50 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.53 2d9f h GLU 49 Cb 1.27 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.65 2d9f h GLU 49 CO 0.59 0.00 -0.95 -0.91 -0.73 0.00 0.00 179.01 177.01 2d9f h ASN 50 N 0.00 0.34 0.00 1.04 2.35 -1.92 -3.49 115.58 113.90 2d9f h ASN 50 Ca 0.14 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 2d9f h ASN 50 Cb 1.56 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.82 2d9f h ASN 50 CO -0.00 1.43 0.00 0.61 -1.65 0.00 0.00 177.43 177.82 2d9f n GLY 51 N 1.67 0.24 2.93 2.83 0.00 0.13 -5.12 105.19 107.86 2d9f n GLY 51 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2d9f n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9f s THR 52 N -0.20 2.31 -0.22 2.61 2.01 -1.25 -4.87 115.64 116.03 2d9f s THR 52 Ca 0.00 -2.93 -0.36 0.00 0.31 0.00 0.00 61.69 58.71 2d9f s THR 52 Cb 0.00 -2.63 -0.12 0.00 0.01 0.00 0.00 72.50 69.76 2d9f s THR 52 CO 0.00 -0.76 1.96 0.54 -0.69 0.00 0.00 174.62 175.67 2d9f n ARG 53 N 3.49 1.58 -0.08 4.92 1.74 -1.26 -2.49 116.66 124.56 2d9f n ARG 53 Ca 0.05 0.54 -0.15 0.00 -0.77 0.00 0.00 57.85 57.52 2d9f n ARG 53 Cb 0.35 -2.48 -0.10 0.00 -1.02 0.00 0.00 32.46 29.21 2d9f n ARG 53 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2d9f h VAL 54 N 5.98 1.03 -3.98 1.55 2.07 -0.72 -3.48 116.25 118.71 2d9f h VAL 54 Ca -0.41 -1.98 -0.35 0.00 0.82 0.00 0.00 66.70 64.78 2d9f h VAL 54 Cb 1.30 2.16 -0.26 0.00 -1.52 0.00 0.00 31.29 32.97 2d9f h VAL 54 CO 0.97 0.35 -0.76 0.00 0.02 0.00 0.00 177.57 178.15 2d9f s GLN 55 N -2.21 0.62 -0.28 1.57 -2.07 -1.20 -4.87 119.66 111.21 2d9f s GLN 55 Ca -0.21 -0.48 0.02 0.00 -1.82 0.00 0.00 55.36 52.88 2d9f s GLN 55 Cb 0.02 -0.55 0.08 0.00 -1.09 0.00 0.00 33.01 31.47 2d9f s GLN 55 CO 0.52 0.14 -0.02 -2.00 -1.32 0.00 0.00 175.29 172.61 2d9f s GLU 56 N -0.73 1.66 -0.32 9.60 2.12 -1.26 -2.67 118.70 127.10 2d9f s GLU 56 Ca -0.01 -1.39 0.04 0.00 0.36 0.00 0.00 54.97 53.97 2d9f s GLU 56 Cb -0.06 -2.81 0.09 0.00 0.26 0.00 0.00 34.13 31.61 2d9f s GLU 56 CO 0.00 -0.74 0.01 -2.00 -0.54 0.00 0.00 175.26 171.99 2d9f s GLU 57 N 1.17 1.66 0.10 4.30 2.12 -1.22 -4.98 118.70 121.85 2d9f s GLU 57 Ca 0.00 -1.73 -0.15 0.00 0.36 0.00 0.00 54.97 53.45 2d9f s GLU 57 Cb -0.19 -3.11 -0.09 0.00 0.26 0.00 0.00 34.13 31.00 2d9f s GLU 57 CO -0.08 -0.85 1.42 -1.00 -0.54 0.00 0.00 175.26 174.21 2d9f h PRO 58 N 7.66 0.69 -3.41 4.30 0.13 -1.91 -3.19 132.00 136.26 2d9f h PRO 58 Ca -0.08 -0.36 -0.66 0.00 -0.87 0.00 0.00 66.00 64.03 2d9f h PRO 58 Cb 1.03 0.01 -0.39 0.00 0.13 0.00 0.00 31.00 31.78 2d9f h PRO 58 CO 0.50 0.97 -0.52 -2.00 -0.23 0.00 0.00 178.00 176.73 2d9f s GLU 59 N -4.35 2.26 -0.28 0.86 2.12 -1.26 -4.28 118.70 113.77 2d9f s GLU 59 Ca -0.12 -2.69 -0.12 0.00 0.36 0.00 0.00 54.97 52.40 2d9f s GLU 59 Cb 0.09 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2d9f s GLU 59 CO 0.83 -1.15 0.21 -1.17 -0.54 0.00 0.00 175.26 173.44 2d9f s LEU 60 N -0.37 4.02 0.11 2.70 1.98 -0.62 -4.98 118.68 121.52 2d9f s LEU 60 Ca 0.18 0.03 0.10 0.00 -2.89 0.00 0.00 54.13 51.56 2d9f s LEU 60 Cb -0.22 -2.16 -0.04 0.00 0.66 0.00 0.00 46.19 44.43 2d9f s LEU 60 CO -0.03 -0.07 -0.26 0.54 -1.89 0.00 0.00 176.35 174.64 2d9f s VAL 61 N 1.80 2.19 0.13 1.68 0.11 -1.26 -0.99 120.40 124.06 2d9f s VAL 61 Ca 0.08 -1.66 -0.26 0.00 -2.93 0.00 0.00 61.98 57.21 2d9f s VAL 61 Cb -0.16 -1.92 0.07 0.00 -1.53 0.00 0.00 36.38 32.84 2d9f s VAL 61 CO 0.11 0.14 1.01 0.72 -3.33 0.00 0.00 175.10 173.75 2d9f s PHE 62 N -1.01 -0.11 -0.42 1.54 -0.12 -1.06 -5.01 117.98 111.78 2d9f s PHE 62 Ca 0.13 -0.16 -0.12 0.00 -0.05 0.00 0.00 56.93 56.72 2d9f s PHE 62 Cb -0.10 0.63 0.06 0.00 -0.63 0.00 0.00 43.02 42.97 2d9f s PHE 62 CO 0.05 -0.75 0.29 0.99 -0.05 0.00 0.00 175.22 175.75 2d9f s THR 63 N -3.15 4.78 0.24 -4.49 2.01 -1.26 -1.85 115.64 111.91 2d9f s THR 63 Ca 0.13 -1.05 -0.31 0.00 0.31 0.00 0.00 61.69 60.76 2d9f s THR 63 Cb -0.00 -3.80 -0.13 0.00 0.01 0.00 0.00 72.50 68.57 2d9f s THR 63 CO 0.01 -0.43 1.40 -0.11 -0.69 0.00 0.00 174.62 174.81 2d9f n LEU 64 N 5.06 3.12 0.00 4.42 7.94 -1.16 -2.19 117.00 134.20 2d9f n LEU 64 Ca -0.11 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 2d9f n LEU 64 Cb 0.44 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 42.96 2d9f n LEU 64 CO 0.41 -0.49 0.00 0.61 -1.11 0.00 0.00 177.39 176.81 2d9f n GLY 65 N 2.11 2.94 0.96 -3.96 0.00 -1.26 -0.47 105.19 105.51 2d9f n GLY 65 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 2d9f n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d9f n ASP 66 N 0.00 3.10 -4.47 1.61 -0.08 -0.93 -4.96 116.55 110.82 2d9f n ASP 66 Ca 0.00 -1.91 -0.41 0.00 -1.51 0.00 0.00 54.79 50.96 2d9f n ASP 66 Cb 0.00 -0.18 -0.07 0.00 2.34 0.00 0.00 41.12 43.21 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d9f n ASP 68 N -2.51 0.62 -4.55 0.00 8.00 -1.26 -4.77 116.55 112.08 2d9f n ASP 68 Ca 0.11 0.65 -0.27 0.00 0.71 0.00 0.00 54.79 55.99 2d9f n ASP 68 Cb 0.46 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 2d9f n ASP 68 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2d9f n VAL 69 N -2.18 0.00 -1.49 2.53 0.24 -1.26 -5.07 118.33 111.09 2d9f n VAL 69 Ca 0.02 -2.11 -0.40 0.00 -2.04 0.00 0.00 64.34 59.81 2d9f n VAL 69 Cb 0.23 0.18 0.02 0.00 -1.47 0.00 0.00 33.84 32.79 2d9f n VAL 69 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2d9f n ILE 70 N -1.45 2.09 0.39 1.34 2.08 -1.26 -4.71 119.36 117.85 2d9f n ILE 70 Ca -0.10 -0.50 0.11 0.00 0.56 0.00 0.00 62.75 62.82 2d9f n ILE 70 Cb 0.59 -0.71 0.48 0.00 -0.75 0.00 0.00 39.64 39.24 2d9f n ILE 70 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2d9f n GLN 71 N 0.27 0.17 0.00 0.38 6.02 -0.82 -1.61 117.38 121.80 2d9f n GLN 71 Ca 0.11 0.42 0.11 0.00 -0.01 0.00 0.00 57.00 57.63 2d9f n GLN 71 Cb 0.42 -1.84 0.08 0.00 1.02 0.00 0.00 30.24 29.92 2d9f n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2d9f n ALA 72 N -1.75 4.01 -0.12 -1.58 0.00 -1.20 -3.25 120.51 116.62 2d9f n ALA 72 Ca 0.02 -0.46 -0.20 0.00 0.00 0.00 0.00 53.44 52.81 2d9f n ALA 72 Cb 0.21 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.59 2d9f n ALA 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2d9f n LEU 73 N -1.55 2.70 0.12 0.00 7.94 -0.74 -4.00 117.00 121.47 2d9f n LEU 73 Ca 0.04 -0.02 -0.02 0.00 -1.11 0.00 0.00 56.01 54.90 2d9f n LEU 73 Cb 0.34 -0.83 0.11 0.00 0.53 0.00 0.00 43.42 43.57 2d9f n LEU 73 CO 0.39 0.82 0.42 -0.78 -1.11 0.00 0.00 177.39 177.13 2d9f h ASP 74 N -0.23 0.00 0.36 1.96 1.82 -1.49 -0.23 116.42 118.61 2d9f h ASP 74 Ca -0.57 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 2d9f h ASP 74 Cb 1.78 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.79 2d9f h ASP 74 CO -0.16 0.70 -0.07 0.18 -1.61 0.00 0.00 179.24 178.27 2d9f n LEU 75 N -3.69 0.35 -0.02 2.28 4.32 -1.20 -3.58 117.00 115.46 2d9f n LEU 75 Ca -0.01 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 2d9f n LEU 75 Cb 0.69 -0.18 -0.06 0.00 -1.62 0.00 0.00 43.42 42.25 2d9f n LEU 75 CO 0.43 0.06 -0.66 -1.54 -1.22 0.00 0.00 177.39 174.46 2d9f n SER 76 N -1.00 3.24 0.22 -1.43 3.41 -1.09 -4.57 113.62 112.40 2d9f n SER 76 Ca 0.15 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.61 2d9f n SER 76 Cb 0.26 1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 65.15 2d9f n SER 76 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2d9f h VAL 77 N 0.00 0.34 0.00 -3.33 2.07 -1.10 -1.21 116.25 113.02 2d9f h VAL 77 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2d9f h VAL 77 Cb 0.89 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2d9f h VAL 77 CO 0.01 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 2d9f n PRO 78 N -5.44 0.49 -0.00 1.57 -0.04 -1.26 -1.82 135.00 128.51 2d9f n PRO 78 Ca -0.10 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.42 2d9f n PRO 78 Cb 0.34 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2d9f n PRO 78 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2d9f n LEU 79 N -0.83 0.41 -4.57 1.53 4.77 -0.53 -4.92 117.00 112.86 2d9f n LEU 79 Ca 0.08 -0.36 -0.27 0.00 -0.03 0.00 0.00 56.01 55.43 2d9f n LEU 79 Cb 0.04 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 2d9f n LEU 79 CO 0.06 0.10 -0.41 0.00 -1.33 0.00 0.00 177.39 175.81 2d9f s MET 80 N -2.35 2.05 0.34 3.23 0.23 -0.75 -5.06 119.30 116.99 2d9f s MET 80 Ca 0.02 -1.26 -0.05 0.00 -1.03 0.00 0.00 55.69 53.37 2d9f s MET 80 Cb 0.09 -2.16 -0.05 0.00 -1.53 0.00 0.00 34.83 31.18 2d9f s MET 80 CO 0.50 0.44 0.62 -0.51 -2.03 0.00 0.00 175.02 174.04 2d9f s ASP 81 N -2.78 6.41 0.06 -1.18 1.01 -1.26 -4.37 116.67 114.56 2d9f s ASP 81 Ca 0.24 0.78 -0.31 0.00 0.71 0.00 0.00 52.55 53.97 2d9f s ASP 81 Cb -0.09 -2.17 -0.08 0.00 1.01 0.00 0.00 42.92 41.59 2d9f s ASP 81 CO 0.15 -0.30 1.60 0.54 0.21 0.00 0.00 175.17 177.37 2d9f s VAL 82 N -2.26 3.14 0.00 -1.27 0.11 -1.25 -2.31 120.40 116.57 2d9f s VAL 82 Ca 0.45 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 60.10 2d9f s VAL 82 Cb -0.10 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 2d9f s VAL 82 CO 0.33 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.71 2d9f n GLY 83 N 3.91 0.90 3.21 6.54 0.00 -0.17 -4.52 105.19 115.05 2d9f n GLY 83 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2d9f n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2d9f s GLU 84 N -0.85 3.13 -0.36 1.61 2.12 -0.98 -3.98 118.70 119.40 2d9f s GLU 84 Ca 0.00 -0.77 -0.24 0.00 0.36 0.00 0.00 54.97 54.32 2d9f s GLU 84 Cb 0.00 -2.64 0.01 0.00 0.26 0.00 0.00 34.13 31.76 2d9f s GLU 84 CO 0.00 -0.10 0.81 0.99 -0.54 0.00 0.00 175.26 176.42 2d9f s THR 85 N 1.08 4.71 0.03 -1.70 2.01 0.20 -3.77 115.64 118.20 2d9f s THR 85 Ca -0.00 0.97 0.05 0.00 0.31 0.00 0.00 61.69 63.02 2d9f s THR 85 Cb -0.14 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 2d9f s THR 85 CO -0.05 -0.43 -0.16 0.00 -0.69 0.00 0.00 174.62 173.29 2d9f s ALA 86 N 3.15 1.31 0.25 7.40 0.00 -0.34 -0.25 121.76 133.27 2d9f s ALA 86 Ca 0.33 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2d9f s ALA 86 Cb -0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 2d9f s ALA 86 CO 0.17 0.27 0.30 1.41 0.00 0.00 0.00 175.76 177.91 2d9f s MET 87 N -1.02 3.22 -0.03 0.00 -2.45 0.27 -0.63 119.30 118.66 2d9f s MET 87 Ca 0.04 -0.89 -0.01 0.00 -1.25 0.00 0.00 55.69 53.57 2d9f s MET 87 Cb -0.08 -2.76 0.03 0.00 1.25 0.00 0.00 34.83 33.28 2d9f s MET 87 CO 0.01 0.39 0.06 0.14 1.05 0.00 0.00 175.02 176.67 2d9f s VAL 88 N -2.05 -0.08 -0.32 10.11 -7.23 0.11 -1.07 120.40 119.86 2d9f s VAL 88 Ca 0.34 0.28 0.02 0.00 -1.81 0.00 0.00 61.98 60.81 2d9f s VAL 88 Cb -0.09 -0.13 0.10 0.00 0.56 0.00 0.00 36.38 36.82 2d9f s VAL 88 CO 0.28 0.12 0.06 0.42 -0.31 0.00 0.00 175.10 175.66 2d9f s THR 89 N 1.45 1.74 0.29 5.32 -4.23 -1.10 -2.16 115.64 116.95 2d9f s THR 89 Ca -0.05 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 2d9f s THR 89 Cb -0.13 -2.27 -0.06 0.00 1.34 0.00 0.00 72.50 71.39 2d9f s THR 89 CO -0.03 -0.58 -0.04 0.00 -0.54 0.00 0.00 174.62 173.43 2d9f s ALA 90 N 1.19 2.39 0.61 3.99 0.00 -1.25 -3.13 121.76 125.55 2d9f s ALA 90 Ca 0.09 -1.95 -0.17 0.00 0.00 0.00 0.00 51.96 49.93 2d9f s ALA 90 Cb -0.18 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 2d9f s ALA 90 CO -0.14 -0.11 1.15 0.34 0.00 0.00 0.00 175.76 177.00 2d9f s ASP 91 N -3.46 5.26 0.40 0.00 2.15 -1.26 -3.75 116.67 116.01 2d9f s ASP 91 Ca 0.31 2.19 0.24 0.00 0.43 0.00 0.00 52.55 55.72 2d9f s ASP 91 Cb 0.05 -2.58 1.33 0.00 -0.30 0.00 0.00 42.92 41.42 2d9f s ASP 91 CO 0.13 -1.53 1.63 -1.28 -0.17 0.00 0.00 175.17 173.94 2d9f h SER 92 N 0.62 0.32 -0.95 -0.34 0.87 -1.86 0.51 113.55 112.72 2d9f h SER 92 Ca -0.49 0.17 0.27 0.00 -1.23 0.00 0.00 61.79 60.51 2d9f h SER 92 Cb 1.27 0.15 -0.14 0.00 -0.44 0.00 0.00 62.40 63.24 2d9f h SER 92 CO 0.55 -0.21 0.44 0.07 -0.53 0.00 0.00 176.83 177.15 2d9f h LYS 93 N 0.13 0.33 0.00 2.24 2.10 -1.90 0.76 116.57 120.23 2d9f h LYS 93 Ca 0.80 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 59.43 2d9f h LYS 93 Cb 2.28 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 33.53 2d9f h LYS 93 CO -0.52 0.22 -0.73 1.88 -2.00 0.00 0.00 179.45 178.30 2d9f h TYR 94 N 0.34 0.00 0.02 0.07 0.05 -0.33 -3.29 116.97 113.83 2d9f h TYR 94 Ca 0.63 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.41 2d9f h TYR 94 Cb 1.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.07 2d9f h TYR 94 CO -0.11 0.01 -0.01 0.00 -1.05 0.00 0.00 178.16 177.00 2d9f n TYR 96 N -2.86 0.00 0.00 0.00 4.01 0.15 -4.49 117.16 113.96 2d9f n TYR 96 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2d9f n TYR 96 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 2d9f n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d9f n GLY 97 N 1.82 3.60 0.00 2.72 0.00 0.98 -4.68 105.19 109.63 2d9f n GLY 97 Ca 0.00 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.27 2d9f n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d9f n PRO 98 N -1.29 0.40 -0.09 1.61 -0.04 -1.26 -2.59 135.00 131.73 2d9f n PRO 98 Ca 0.00 0.05 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 2d9f n PRO 98 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 2d9f n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d9f n GLN 99 N -1.09 0.68 0.00 0.54 10.64 -1.26 -4.46 117.38 122.43 2d9f n GLN 99 Ca 0.10 0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.43 2d9f n GLN 99 Cb 0.07 -1.58 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 2d9f n GLN 99 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2d9f n GLY 100 N 2.05 1.99 3.68 2.61 0.00 -1.07 -4.64 105.19 109.82 2d9f n GLY 100 Ca -0.38 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.21 2d9f n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2d9f n SER 101 N 0.00 3.41 -4.66 1.61 2.88 -1.15 -4.66 113.62 111.04 2d9f n SER 101 Ca 0.00 -3.24 -0.24 0.00 -1.33 0.00 0.00 58.87 54.06 2d9f n SER 101 Cb 0.00 0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.73 2d9f n SER 101 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2d9f s ARG 102 N -3.87 2.36 -0.24 -1.46 1.81 -1.26 -3.93 118.95 112.36 2d9f s ARG 102 Ca 0.01 -1.32 -0.22 0.00 -1.72 0.00 0.00 55.73 52.48 2d9f s ARG 102 Cb -0.00 -2.23 -0.09 0.00 -0.45 0.00 0.00 34.95 32.17 2d9f s ARG 102 CO 0.01 0.39 1.03 0.45 -0.68 0.00 0.00 175.30 176.50 2d9f n SER 103 N -0.75 0.38 -4.70 0.23 2.88 -1.26 -3.15 113.62 107.25 2d9f n SER 103 Ca -0.07 0.34 -0.42 0.00 -1.33 0.00 0.00 58.87 57.39 2d9f n SER 103 Cb 0.58 -0.44 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 2d9f n SER 103 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2d9f s PRO 104 N 2.87 4.31 0.45 -1.46 0.04 -1.26 -5.13 135.00 134.81 2d9f s PRO 104 Ca 0.58 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 63.43 2d9f s PRO 104 Cb -0.73 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 30.33 2d9f s PRO 104 CO 0.33 -0.49 1.08 -0.47 0.04 0.00 0.00 177.00 177.48 2d9f s TYR 105 N 1.66 3.06 -0.02 0.56 6.14 -1.19 -4.82 117.35 122.74 2d9f s TYR 105 Ca 0.64 1.59 -0.03 0.00 0.64 0.00 0.00 57.07 59.92 2d9f s TYR 105 Cb -0.35 -3.18 0.01 0.00 0.42 0.00 0.00 41.96 38.86 2d9f s TYR 105 CO 0.29 -0.95 0.07 0.96 0.64 0.00 0.00 175.55 176.56 2d9f s ILE 106 N -1.73 0.01 0.48 3.14 -5.25 -1.25 -4.94 121.20 111.65 2d9f s ILE 106 Ca 0.63 -0.08 -0.22 0.00 -0.99 0.00 0.00 60.65 59.99 2d9f s ILE 106 Cb -0.22 -0.13 -0.07 0.00 2.95 0.00 0.00 42.46 44.99 2d9f s ILE 106 CO 0.27 -0.04 1.15 -2.16 -1.79 0.00 0.00 174.94 172.37 2d9f s PRO 107 N -0.10 3.65 0.93 0.37 0.04 -1.26 -2.94 135.00 135.70 2d9f s PRO 107 Ca -0.01 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 2d9f s PRO 107 Cb -0.01 -2.30 0.15 0.00 0.04 0.00 0.00 34.50 32.38 2d9f s PRO 107 CO 0.00 -0.63 1.09 -1.25 0.04 0.00 0.00 177.00 176.25 2d9f s PRO 108 N -2.86 0.98 -0.11 0.56 0.04 -1.26 -3.41 135.00 128.94 2d9f s PRO 108 Ca 0.66 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2d9f s PRO 108 Cb -0.27 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2d9f s PRO 108 CO 0.32 -2.41 0.00 0.72 0.04 0.00 0.00 177.00 175.68 2d9f n HIS 109 N -3.98 -1.91 -3.74 0.56 8.25 -1.26 -4.85 115.22 108.29 2d9f n HIS 109 Ca 0.06 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.15 2d9f n HIS 109 Cb 0.56 -1.18 -0.11 0.00 1.12 0.00 0.00 29.99 30.38 2d9f n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d9f s ALA 110 N -2.03 3.14 0.97 -1.41 0.00 -1.22 -4.77 121.76 116.44 2d9f s ALA 110 Ca 0.00 -2.24 -0.14 0.00 0.00 0.00 0.00 51.96 49.58 2d9f s ALA 110 Cb 0.00 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.72 2d9f s ALA 110 CO 0.00 -1.64 0.14 0.00 0.00 0.00 0.00 175.76 174.26 2d9f n ALA 111 N 4.72 -3.27 -3.64 0.00 0.00 -1.26 -3.97 120.51 113.08 2d9f n ALA 111 Ca -0.07 -0.70 -0.11 0.00 0.00 0.00 0.00 53.44 52.56 2d9f n ALA 111 Cb 0.42 -1.65 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 2d9f n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2d9f s LEU 112 N 0.52 -0.01 -0.29 0.00 1.43 -1.25 -3.62 118.68 115.46 2d9f s LEU 112 Ca 0.54 0.87 -0.25 0.00 -1.03 0.00 0.00 54.13 54.26 2d9f s LEU 112 Cb -0.19 1.34 0.00 0.00 0.03 0.00 0.00 46.19 47.37 2d9f s LEU 112 CO 0.70 -0.19 0.87 0.00 0.23 0.00 0.00 176.35 177.96 2d9f s LEU 114 N 3.09 2.06 -0.40 0.00 1.43 -0.92 -2.95 118.68 120.99 2d9f s LEU 114 Ca 0.36 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 2d9f s LEU 114 Cb -0.14 -1.39 0.07 0.00 0.03 0.00 0.00 46.19 44.76 2d9f s LEU 114 CO 0.12 0.10 0.22 -0.70 0.23 0.00 0.00 176.35 176.32 2d9f s GLU 115 N 0.64 2.62 -0.02 1.70 2.12 -1.26 0.05 118.70 124.55 2d9f s GLU 115 Ca -0.12 -1.37 -0.21 0.00 0.36 0.00 0.00 54.97 53.64 2d9f s GLU 115 Cb -0.16 -3.71 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 2d9f s GLU 115 CO 0.02 -0.87 0.60 0.08 -0.54 0.00 0.00 175.26 174.55 2d9f s VAL 116 N 1.43 4.94 -0.31 3.70 1.01 0.19 -3.70 120.40 127.66 2d9f s VAL 116 Ca 0.02 1.25 -0.02 0.00 0.00 0.00 0.00 61.98 63.24 2d9f s VAL 116 Cb -0.22 -3.94 0.10 0.00 0.00 0.00 0.00 36.38 32.33 2d9f s VAL 116 CO 0.03 0.39 0.12 -0.89 0.00 0.00 0.00 175.10 174.75 2d9f s THR 117 N -0.04 0.57 -0.29 3.92 2.01 -1.19 -1.20 115.64 119.42 2d9f s THR 117 Ca 0.31 -1.26 -0.29 0.00 0.31 0.00 0.00 61.69 60.77 2d9f s THR 117 Cb -0.18 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 2d9f s THR 117 CO 0.17 -0.72 1.77 -0.22 -0.69 0.00 0.00 174.62 174.94 2d9f s LEU 118 N 1.69 3.60 0.00 4.42 1.98 -1.25 -2.91 118.68 126.21 2d9f s LEU 118 Ca 0.10 1.42 0.00 0.00 -2.89 0.00 0.00 54.13 52.76 2d9f s LEU 118 Cb -0.17 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.15 2d9f s LEU 118 CO -0.27 -1.60 0.00 0.29 -1.89 0.00 0.00 176.35 172.88 2d9f n LYS 119 N 8.26 0.00 -3.81 1.98 4.76 -1.08 -1.00 118.16 127.26 2d9f n LYS 119 Ca 0.22 0.19 -0.12 0.00 -2.87 0.00 0.00 58.31 55.73 2d9f n LYS 119 Cb 0.46 -0.65 -0.12 0.00 -1.84 0.00 0.00 35.03 32.88 2d9f n LYS 119 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2d9f s THR 120 N -0.86 -0.00 -0.24 -0.18 -4.23 -1.24 -4.36 115.64 104.53 2d9f s THR 120 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2d9f s THR 120 Cb 0.00 -0.26 0.02 0.00 1.34 0.00 0.00 72.50 73.60 2d9f s THR 120 CO 0.00 0.00 -0.06 0.00 -0.54 0.00 0.00 174.62 174.02 2d9f s ALA 121 N 0.10 2.72 0.24 3.99 0.00 -1.26 -3.01 121.76 124.53 2d9f s ALA 121 Ca -0.00 -1.42 0.01 0.00 0.00 0.00 0.00 51.96 50.55 2d9f s ALA 121 Cb -0.01 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 2d9f s ALA 121 CO 0.00 -0.76 0.18 0.14 0.00 0.00 0.00 175.76 175.33 2d9f s VAL 122 N 1.35 0.00 -0.19 0.00 -7.23 -0.78 -4.98 120.40 108.57 2d9f s VAL 122 Ca 0.01 -1.98 -0.21 0.00 -1.81 0.00 0.00 61.98 57.99 2d9f s VAL 122 Cb -0.16 -2.50 -0.18 0.00 0.56 0.00 0.00 36.38 34.10 2d9f s VAL 122 CO -0.04 0.00 0.25 -0.78 -0.31 0.00 0.00 175.10 174.21 2d9f h ASP 123 N 2.48 0.00 -3.70 4.85 1.82 -1.94 0.79 116.42 120.72 2d9f h ASP 123 Ca -0.33 -0.52 -0.56 0.00 -0.39 0.00 0.00 57.03 55.23 2d9f h ASP 123 Cb 1.25 0.00 0.14 0.00 0.68 0.00 0.00 39.33 41.40 2d9f h ASP 123 CO 0.48 1.36 0.40 -2.11 -1.61 0.00 0.00 179.24 177.76 2d9f n ARG 124 N -4.47 1.48 -1.41 0.28 0.00 -1.26 -4.30 116.66 106.97 2d9f n ARG 124 Ca -0.27 0.54 -0.32 0.00 -0.00 0.00 0.00 57.85 57.81 2d9f n ARG 124 Cb 0.61 -2.37 0.08 0.00 -0.00 0.00 0.00 32.46 30.78 2d9f n ARG 124 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2d9f s PRO 125 N -2.62 2.42 -0.18 2.89 0.04 -1.26 -4.84 135.00 131.45 2d9f s PRO 125 Ca 0.70 1.24 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 2d9f s PRO 125 Cb -0.45 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 2d9f s PRO 125 CO 0.51 -1.52 -0.20 -0.25 0.04 0.00 0.00 177.00 175.58 2d9f n ASP 126 N -3.17 1.86 -3.66 6.66 9.92 -1.26 -4.70 116.55 122.19 2d9f n ASP 126 Ca 0.09 0.09 -0.41 0.00 -0.53 0.00 0.00 54.79 54.04 2d9f n ASP 126 Cb 0.53 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 2d9f n ASP 126 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2d9f n LEU 127 N -3.49 7.41 -3.42 0.64 7.94 -1.26 -4.74 117.00 120.08 2d9f n LEU 127 Ca -0.34 -4.97 -0.24 0.00 -1.11 0.00 0.00 56.01 49.35 2d9f n LEU 127 Cb 0.78 -1.34 -0.05 0.00 0.53 0.00 0.00 43.42 43.35 2d9f n LEU 127 CO 0.08 1.86 -0.09 1.21 -1.11 0.00 0.00 177.39 179.34 2d9f n GLU 128 N 1.84 -1.33 -0.65 1.96 2.13 -1.26 -4.71 120.64 118.63 2d9f n GLU 128 Ca 0.50 0.08 -0.07 0.00 0.66 0.00 0.00 57.16 58.33 2d9f n GLU 128 Cb 0.29 -3.78 0.02 0.00 0.27 0.00 0.00 31.44 28.23 2d9f n GLU 128 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 2d9f n MET 129 N -2.98 1.31 -1.77 5.31 1.56 -1.26 -4.92 117.12 114.37 2d9f n MET 129 Ca 0.07 -0.61 -0.31 0.00 -0.27 0.00 0.00 57.70 56.57 2d9f n MET 129 Cb 0.38 -1.24 0.02 0.00 2.15 0.00 0.00 33.22 34.53 2d9f n MET 129 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2d9f s SER 130 N 1.27 5.94 0.00 6.12 0.01 -1.26 -4.71 113.70 121.07 2d9f s SER 130 Ca 0.12 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2d9f s SER 130 Cb 0.10 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2d9f s SER 130 CO -0.00 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.19 2d9f n GLY 131 N -2.50 1.28 3.72 3.44 0.00 -1.26 -5.12 105.19 104.75 2d9f n GLY 131 Ca 0.07 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2d9f n GLY 131 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9f s PRO 132 N 0.00 1.23 -0.17 1.61 0.04 -1.26 -5.03 135.00 131.42 2d9f s PRO 132 Ca 0.00 0.81 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 2d9f s PRO 132 Cb 0.00 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 2d9f s PRO 132 CO 0.00 -2.26 -0.18 0.45 0.04 0.00 0.00 177.00 175.05 2d9f n SER 133 N -3.90 1.86 -3.81 6.66 2.88 -1.26 -5.00 113.62 111.05 2d9f n SER 133 Ca 0.07 0.52 -0.14 0.00 -1.33 0.00 0.00 58.87 57.99 2d9f n SER 133 Cb 0.55 -0.85 -0.15 0.00 -0.75 0.00 0.00 64.21 63.01 2d9f n SER 133 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2d9f s SER 134 N -6.03 0.02 0.00 -3.46 1.04 -1.26 -5.14 113.70 98.87 2d9f s SER 134 Ca -0.22 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2d9f s SER 134 Cb 0.04 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2d9f s SER 134 CO 0.34 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.09