#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9f n SER 2 N 0.00 -2.84 -4.66 1.61 3.41 -1.26 -4.86 113.62 105.03 2d9f n SER 2 Ca 0.00 0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.24 2d9f n SER 2 Cb 0.00 -0.93 -0.02 0.00 -0.26 0.00 0.00 64.21 63.00 2d9f n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d9f s SER 3 N -1.65 7.03 0.00 4.04 1.04 -1.26 -4.90 113.70 118.00 2d9f s SER 3 Ca 0.51 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.44 2d9f s SER 3 Cb -0.12 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2d9f s SER 3 CO 0.69 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2d9f n GLY 4 N 3.45 -1.94 3.23 7.32 0.00 -1.26 -5.18 105.19 110.82 2d9f n GLY 4 Ca 0.13 1.00 -0.13 0.00 0.00 0.00 0.00 46.02 47.02 2d9f n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9f s SER 5 N 0.00 1.57 0.04 1.61 0.15 -1.26 -5.17 113.70 110.64 2d9f s SER 5 Ca 0.00 -1.04 -0.27 0.00 0.70 0.00 0.00 55.95 55.34 2d9f s SER 5 Cb 0.00 0.03 0.09 0.00 -1.71 0.00 0.00 66.02 64.43 2d9f s SER 5 CO 0.00 -0.40 0.76 -0.55 1.20 0.00 0.00 173.24 174.25 2d9f s SER 6 N -3.15 -0.48 -0.26 5.45 0.15 -1.26 -5.08 113.70 109.07 2d9f s SER 6 Ca 0.17 0.13 -0.01 0.00 0.70 0.00 0.00 55.95 56.95 2d9f s SER 6 Cb 0.04 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2d9f s SER 6 CO 0.00 -0.73 0.02 0.61 1.20 0.00 0.00 173.24 174.34 2d9f n GLY 7 N -0.05 -4.19 1.89 9.45 0.00 -1.26 -4.88 105.19 106.14 2d9f n GLY 7 Ca -0.13 0.45 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 0.67 1.91 0.00 1.61 1.02 -1.26 -3.95 120.64 120.65 2d9f n GLU 8 Ca -0.03 -2.10 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 2d9f n GLU 8 Cb 0.04 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 2d9f n GLU 8 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2d9f n GLU 9 N -0.55 2.19 -3.57 3.49 1.02 -1.26 -5.09 120.64 116.88 2d9f n GLU 9 Ca 0.42 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.34 2d9f n GLU 9 Cb 1.18 -0.86 -0.01 0.00 -0.02 0.00 0.00 31.44 31.72 2d9f n GLU 9 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2d9f s TRP 10 N -1.73 2.32 -0.13 -0.32 0.52 -1.25 -4.92 118.94 113.43 2d9f s TRP 10 Ca 0.00 -0.60 0.03 0.00 0.02 0.00 0.00 56.10 55.55 2d9f s TRP 10 Cb 0.00 -2.12 0.00 0.00 -1.15 0.00 0.00 33.47 30.20 2d9f s TRP 10 CO 0.00 -0.32 -0.22 -1.17 0.02 0.00 0.00 176.95 175.26 2d9f s LEU 11 N -4.23 2.16 -0.64 2.99 0.20 -0.44 -4.91 118.68 113.82 2d9f s LEU 11 Ca 0.46 -0.56 -0.26 0.00 0.69 0.00 0.00 54.13 54.46 2d9f s LEU 11 Cb -0.03 -1.45 0.04 0.00 -0.43 0.00 0.00 46.19 44.31 2d9f s LEU 11 CO 0.28 0.11 1.14 -1.81 -0.29 0.00 0.00 176.35 175.78 2d9f s ASP 12 N 0.61 6.29 0.20 3.68 1.01 -1.26 -0.46 116.67 126.75 2d9f s ASP 12 Ca -0.12 -0.31 -0.05 0.00 0.71 0.00 0.00 52.55 52.78 2d9f s ASP 12 Cb -0.16 -2.52 0.15 0.00 1.01 0.00 0.00 42.92 41.40 2d9f s ASP 12 CO 0.03 -1.55 1.61 0.40 0.21 0.00 0.00 175.17 175.87 2d9f h ILE 13 N 6.06 1.27 0.00 0.77 2.04 -1.87 -3.28 117.51 122.51 2d9f h ILE 13 Ca -0.27 -1.38 -0.37 0.00 1.00 0.00 0.00 64.86 63.84 2d9f h ILE 13 Cb 1.06 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 2d9f h ILE 13 CO 1.20 0.46 -2.38 0.18 0.00 0.00 0.00 178.15 177.61 2d9f n LEU 14 N -4.10 0.03 0.00 1.44 4.77 -1.26 -5.01 117.00 112.87 2d9f n LEU 14 Ca -0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2d9f n LEU 14 Cb 0.45 0.49 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 2d9f n LEU 14 CO 0.45 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 2d9f n GLY 15 N 1.75 2.34 0.15 -0.72 0.00 -1.24 -4.92 105.19 102.55 2d9f n GLY 15 Ca -0.33 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 0.54 -0.29 0.00 1.61 -1.07 -1.92 -3.47 115.58 110.97 2d9f h ASN 16 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 56.30 56.40 2d9f h ASN 16 Cb 0.00 0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.36 2d9f h ASN 16 CO 0.00 -0.17 0.00 0.61 0.07 0.00 0.00 177.43 177.94 2d9f n GLY 17 N -1.23 1.12 0.05 9.14 0.00 -1.26 -5.04 105.19 107.98 2d9f n GLY 17 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.10 -9.08 0.99 -0.00 -1.91 -3.42 115.31 101.78 2d9f h LEU 18 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 2d9f h LEU 18 Cb 0.00 0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 40.64 2d9f h LEU 18 CO 0.00 -0.04 0.87 -0.22 -0.00 0.00 0.00 178.44 179.06 2d9f s LEU 19 N -4.84 4.10 0.26 1.67 2.96 -1.26 -3.78 118.68 117.79 2d9f s LEU 19 Ca -0.02 1.48 0.08 0.00 -0.22 0.00 0.00 54.13 55.45 2d9f s LEU 19 Cb 0.00 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 2d9f s LEU 19 CO 0.05 -0.78 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.07 2d9f s ARG 20 N 3.50 1.50 -0.04 1.98 0.52 -1.13 -2.88 118.95 122.40 2d9f s ARG 20 Ca 0.51 -1.73 0.02 0.00 -0.52 0.00 0.00 55.73 54.01 2d9f s ARG 20 Cb -0.18 -1.23 0.01 0.00 0.52 0.00 0.00 34.95 34.07 2d9f s ARG 20 CO 0.13 0.12 -0.08 0.21 0.02 0.00 0.00 175.30 175.70 2d9f s LYS 21 N -3.67 1.05 -0.19 3.54 2.20 0.39 -2.83 119.74 120.22 2d9f s LYS 21 Ca 0.27 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.62 2d9f s LYS 21 Cb 0.01 -0.96 0.06 0.00 -1.51 0.00 0.00 37.83 35.43 2d9f s LYS 21 CO 0.11 0.02 0.02 0.21 -0.36 0.00 0.00 175.35 175.35 2d9f s LYS 22 N 0.58 0.76 -0.33 4.03 2.20 0.02 -1.33 119.74 125.67 2d9f s LYS 22 Ca -0.09 -0.43 -0.28 0.00 -0.36 0.00 0.00 55.97 54.81 2d9f s LYS 22 Cb -0.12 -2.06 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 2d9f s LYS 22 CO 0.01 -0.60 2.05 0.99 -0.36 0.00 0.00 175.35 177.44 2d9f s THR 23 N 1.82 3.22 0.08 3.43 2.01 -1.26 -0.62 115.64 124.32 2d9f s THR 23 Ca -0.01 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.20 2d9f s THR 23 Cb -0.17 -3.33 -0.26 0.00 0.01 0.00 0.00 72.50 68.75 2d9f s THR 23 CO -0.08 -0.24 1.15 -0.07 -0.69 0.00 0.00 174.62 174.70 2d9f h LEU 24 N 15.21 0.26 -6.08 4.42 3.38 0.16 -3.45 115.31 129.20 2d9f h LEU 24 Ca -0.35 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.36 2d9f h LEU 24 Cb 1.21 -0.08 -0.23 0.00 0.09 0.00 0.00 40.66 41.65 2d9f h LEU 24 CO 1.03 1.23 -0.34 -0.69 0.09 0.00 0.00 178.44 179.76 2d9f s VAL 25 N -2.67 -0.93 0.50 1.22 1.01 0.14 -4.92 120.40 114.76 2d9f s VAL 25 Ca -0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 2d9f s VAL 25 Cb 0.08 -0.97 -0.07 0.00 0.00 0.00 0.00 36.38 35.42 2d9f s VAL 25 CO 0.86 -0.03 1.15 -2.16 0.00 0.00 0.00 175.10 174.91 2d9f s PRO 26 N 2.79 3.56 0.76 2.72 0.04 -1.26 0.84 135.00 144.45 2d9f s PRO 26 Ca 0.17 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 2d9f s PRO 26 Cb -0.14 -2.21 0.14 0.00 0.04 0.00 0.00 34.50 32.34 2d9f s PRO 26 CO -0.22 -0.70 1.05 0.20 0.04 0.00 0.00 177.00 177.37 2d9f s GLY 27 N -1.57 1.76 0.95 0.56 0.00 -1.26 -4.83 107.32 102.94 2d9f s GLY 27 Ca 0.68 -1.68 -0.12 0.00 0.00 0.00 0.00 44.72 43.60 2d9f s GLY 27 CO 0.31 -1.07 1.09 2.56 0.00 0.00 0.00 173.10 175.99 2d9f s PRO 28 N -5.26 0.84 0.00 2.90 0.04 -1.26 -4.92 135.00 127.34 2d9f s PRO 28 Ca 0.68 0.67 0.14 0.00 0.04 0.00 0.00 61.00 62.53 2d9f s PRO 28 Cb -0.05 -1.77 0.63 0.00 0.04 0.00 0.00 34.50 33.35 2d9f s PRO 28 CO 0.46 -2.49 1.44 -0.35 0.04 0.00 0.00 177.00 176.11 2d9f n PRO 29 N -4.03 0.04 -0.06 0.56 -0.04 -1.26 -3.46 135.00 126.74 2d9f n PRO 29 Ca 0.06 0.24 -0.05 0.00 -0.04 0.00 0.00 63.50 63.71 2d9f n PRO 29 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 2.44 0.00 -1.40 0.55 0.00 -1.99 -3.47 103.07 99.19 2d9f h GLY 30 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 2d9f h GLY 30 CO 0.00 0.00 -0.98 1.44 0.00 0.00 0.00 176.54 177.00 2d9f n SER 31 N -4.70 -2.45 -3.66 0.19 7.64 -1.23 -5.05 113.62 104.36 2d9f n SER 31 Ca -0.05 -0.18 -0.09 0.00 1.01 0.00 0.00 58.87 59.56 2d9f n SER 31 Cb 0.17 -0.95 -0.02 0.00 -1.01 0.00 0.00 64.21 62.41 2d9f n SER 31 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d9f s SER 32 N -1.90 -0.39 0.34 6.43 0.01 -1.26 -4.88 113.70 112.05 2d9f s SER 32 Ca 0.55 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 57.19 2d9f s SER 32 Cb -0.12 0.66 -0.11 0.00 0.21 0.00 0.00 66.02 66.67 2d9f s SER 32 CO 0.63 -1.17 1.48 -0.13 0.41 0.00 0.00 173.24 174.46 2d9f s ARG 33 N -3.82 4.16 0.00 12.44 0.52 -1.26 -1.72 118.95 129.27 2d9f s ARG 33 Ca 0.07 2.49 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 2d9f s ARG 33 Cb -0.04 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.43 2d9f s ARG 33 CO -0.02 -0.49 0.00 -0.35 0.02 0.00 0.00 175.30 174.46 2d9f n PRO 34 N 1.02 -0.05 -4.33 3.54 -0.04 -1.26 -4.89 135.00 128.98 2d9f n PRO 34 Ca 0.03 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 2d9f n PRO 34 Cb 0.39 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.74 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 -0.52 1.80 -0.29 0.52 0.11 -1.26 -4.99 120.40 115.77 2d9f s VAL 35 Ca 0.00 -1.99 -0.25 0.00 -2.93 0.00 0.00 61.98 56.81 2d9f s VAL 35 Cb 0.00 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 2d9f s VAL 35 CO 0.00 -0.39 0.85 -0.75 -3.33 0.00 0.00 175.10 171.48 2d9f s LYS 36 N -3.00 4.05 0.00 1.54 2.20 -1.26 -3.68 119.74 119.59 2d9f s LYS 36 Ca 0.17 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 2d9f s LYS 36 Cb -0.05 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2d9f s LYS 36 CO 0.07 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 2d9f n GLY 37 N 3.99 1.01 3.84 5.54 0.00 0.42 -4.89 105.19 115.11 2d9f n GLY 37 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 2.64 -0.35 1.61 -0.21 -1.24 -4.80 119.66 117.31 2d9f s GLN 38 Ca 0.00 -1.38 -0.29 0.00 0.02 0.00 0.00 55.36 53.71 2d9f s GLN 38 Cb 0.00 -2.42 0.01 0.00 1.00 0.00 0.00 33.01 31.60 2d9f s GLN 38 CO 0.00 0.04 1.23 0.08 -2.12 0.00 0.00 175.29 174.52 2d9f s VAL 39 N -2.35 4.21 -0.15 1.09 1.01 0.64 -2.89 120.40 121.96 2d9f s VAL 39 Ca 0.42 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 2d9f s VAL 39 Cb -0.05 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 2d9f s VAL 39 CO 0.26 -0.61 -0.11 0.68 0.00 0.00 0.00 175.10 175.33 2d9f s VAL 40 N 4.34 3.21 -0.21 2.92 -7.23 -0.99 -0.18 120.40 122.26 2d9f s VAL 40 Ca 0.53 -0.60 -0.04 0.00 -1.81 0.00 0.00 61.98 60.06 2d9f s VAL 40 Cb -0.13 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2d9f s VAL 40 CO 0.24 0.51 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.60 2d9f s THR 41 N 0.52 3.35 0.30 5.32 2.01 -0.22 -2.91 115.64 124.01 2d9f s THR 41 Ca -0.07 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.46 2d9f s THR 41 Cb -0.15 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 2d9f s THR 41 CO 0.04 0.43 0.19 0.68 -0.69 0.00 0.00 174.62 175.27 2d9f s VAL 42 N 1.38 0.16 -0.38 3.82 -7.23 -0.46 -2.41 120.40 115.28 2d9f s VAL 42 Ca 0.05 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 2d9f s VAL 42 Cb -0.14 -2.49 0.10 0.00 0.56 0.00 0.00 36.38 34.41 2d9f s VAL 42 CO -0.03 0.00 0.15 -2.28 -0.31 0.00 0.00 175.10 172.63 2d9f s HIS 43 N -3.63 3.60 -0.15 2.82 2.46 -1.12 -1.65 115.29 117.62 2d9f s HIS 43 Ca 0.37 -2.51 -0.06 0.00 0.47 0.00 0.00 55.06 53.33 2d9f s HIS 43 Cb 0.04 -3.05 -0.04 0.00 -0.13 0.00 0.00 32.58 29.40 2d9f s HIS 43 CO 0.20 -0.95 0.06 -1.17 -2.47 0.00 0.00 174.74 170.41 2d9f s LEU 44 N 1.09 3.88 -0.17 8.88 1.98 -1.14 -3.79 118.68 129.42 2d9f s LEU 44 Ca 0.08 0.18 -0.01 0.00 -2.89 0.00 0.00 54.13 51.48 2d9f s LEU 44 Cb -0.22 -1.95 0.05 0.00 0.66 0.00 0.00 46.19 44.73 2d9f s LEU 44 CO -0.05 0.27 -0.01 -1.10 -1.89 0.00 0.00 176.35 173.57 2d9f s GLN 45 N -0.21 1.03 -0.02 1.98 -0.21 -1.26 -2.54 119.66 118.44 2d9f s GLN 45 Ca 0.08 -0.45 -0.22 0.00 0.02 0.00 0.00 55.36 54.79 2d9f s GLN 45 Cb -0.12 -1.97 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 2d9f s GLN 45 CO 0.01 -0.52 0.66 0.99 -2.12 0.00 0.00 175.29 174.32 2d9f s THR 46 N 1.74 4.94 -0.13 -0.19 2.01 -0.99 -3.76 115.64 119.27 2d9f s THR 46 Ca -0.00 1.38 -0.09 0.00 0.31 0.00 0.00 61.69 63.29 2d9f s THR 46 Cb -0.16 -4.00 0.04 0.00 0.01 0.00 0.00 72.50 68.39 2d9f s THR 46 CO -0.07 0.34 0.32 -0.44 -0.69 0.00 0.00 174.62 174.07 2d9f s SER 47 N 0.26 -0.36 0.58 3.53 0.01 -1.10 -0.76 113.70 115.87 2d9f s SER 47 Ca 0.35 0.67 -0.19 0.00 1.31 0.00 0.00 55.95 58.08 2d9f s SER 47 Cb -0.18 0.60 -0.05 0.00 0.21 0.00 0.00 66.02 66.60 2d9f s SER 47 CO 0.18 -0.15 1.01 0.18 0.41 0.00 0.00 173.24 174.87 2d9f n LEU 48 N 3.70 3.79 0.30 2.44 7.99 -0.75 -1.73 117.00 132.75 2d9f n LEU 48 Ca -0.20 0.84 0.13 0.00 -0.01 0.00 0.00 56.01 56.78 2d9f n LEU 48 Cb 0.56 -1.40 0.66 0.00 -0.11 0.00 0.00 43.42 43.12 2d9f n LEU 48 CO 0.13 -1.70 1.11 -0.08 -1.51 0.00 0.00 177.39 175.34 2d9f h GLU 49 N 0.66 0.00 0.17 3.23 4.57 -1.92 0.39 114.58 121.68 2d9f h GLU 49 Ca -0.48 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.36 2d9f h GLU 49 Cb 1.36 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.95 2d9f h GLU 49 CO 0.52 0.00 -1.63 -2.95 -1.18 0.00 0.00 179.01 173.77 2d9f h ASN 50 N 0.00 0.56 0.00 1.04 7.08 -1.92 -3.48 115.58 118.86 2d9f h ASN 50 Ca 0.03 -0.77 0.00 0.00 -3.08 0.00 0.00 56.30 52.47 2d9f h ASN 50 Cb 0.98 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 37.04 2d9f h ASN 50 CO -0.00 1.64 0.00 0.61 -2.08 0.00 0.00 177.43 177.60 2d9f n GLY 51 N 1.76 0.86 3.31 9.14 0.00 0.14 -5.10 105.19 115.30 2d9f n GLY 51 Ca -0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.86 5.39 -0.23 2.61 2.01 -1.24 -4.82 115.64 118.49 2d9f s THR 52 Ca 0.00 -2.19 -0.35 0.00 0.31 0.00 0.00 61.69 59.46 2d9f s THR 52 Cb 0.00 -4.38 -0.12 0.00 0.01 0.00 0.00 72.50 68.02 2d9f s THR 52 CO 0.00 -0.97 2.00 0.54 -0.69 0.00 0.00 174.62 175.50 2d9f n ARG 53 N 4.35 1.55 -0.07 4.92 1.74 -1.26 -1.81 116.66 126.08 2d9f n ARG 53 Ca 0.05 0.52 -0.18 0.00 -0.77 0.00 0.00 57.85 57.46 2d9f n ARG 53 Cb 0.44 -2.52 -0.13 0.00 -1.02 0.00 0.00 32.46 29.24 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 6.18 1.37 -3.83 1.55 2.07 -1.30 -3.48 116.25 118.80 2d9f h VAL 54 Ca -0.39 -2.30 -0.13 0.00 0.82 0.00 0.00 66.70 64.69 2d9f h VAL 54 Cb 1.30 2.87 -0.18 0.00 -1.52 0.00 0.00 31.29 33.76 2d9f h VAL 54 CO 0.98 0.52 -0.56 0.00 0.02 0.00 0.00 177.57 178.53 2d9f s GLN 55 N -2.31 0.53 -0.29 1.57 -2.07 -1.17 -4.87 119.66 111.05 2d9f s GLN 55 Ca -0.22 -0.73 -0.02 0.00 -1.82 0.00 0.00 55.36 52.57 2d9f s GLN 55 Cb 0.01 0.21 0.09 0.00 -1.09 0.00 0.00 33.01 32.23 2d9f s GLN 55 CO 0.67 -0.12 0.10 -2.00 -1.32 0.00 0.00 175.29 172.62 2d9f s GLU 56 N -2.39 0.53 -0.44 9.60 2.12 -1.26 -2.35 118.70 124.52 2d9f s GLU 56 Ca -0.07 -0.80 -0.08 0.00 0.36 0.00 0.00 54.97 54.38 2d9f s GLU 56 Cb -0.03 -1.74 0.10 0.00 0.26 0.00 0.00 34.13 32.72 2d9f s GLU 56 CO -0.04 -0.95 0.28 -2.00 -0.54 0.00 0.00 175.26 172.02 2d9f s GLU 57 N 1.81 2.49 0.02 4.30 2.56 -1.05 -4.96 118.70 123.87 2d9f s GLU 57 Ca 0.08 -1.62 -0.22 0.00 0.00 0.00 0.00 54.97 53.21 2d9f s GLU 57 Cb -0.17 -3.81 -0.16 0.00 2.00 0.00 0.00 34.13 31.99 2d9f s GLU 57 CO -0.26 -1.06 1.32 -1.00 -0.56 0.00 0.00 175.26 173.70 2d9f h PRO 58 N 8.38 0.26 -3.24 4.30 0.13 -1.88 -3.02 132.00 136.92 2d9f h PRO 58 Ca -0.21 -0.14 -0.67 0.00 -0.87 0.00 0.00 66.00 64.11 2d9f h PRO 58 Cb 1.07 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.83 2d9f h PRO 58 CO 0.79 0.67 -0.27 -2.00 -0.23 0.00 0.00 178.00 176.96 2d9f s GLU 59 N -4.29 2.96 -0.27 0.86 2.12 -1.26 -4.27 118.70 114.55 2d9f s GLU 59 Ca -0.15 -3.28 -0.17 0.00 0.36 0.00 0.00 54.97 51.73 2d9f s GLU 59 Cb 0.04 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 2d9f s GLU 59 CO 0.73 -1.27 0.49 -1.17 -0.54 0.00 0.00 175.26 173.50 2d9f s LEU 60 N -1.35 4.06 0.06 2.70 1.98 -0.66 -4.97 118.68 120.51 2d9f s LEU 60 Ca 0.26 0.45 0.09 0.00 -2.89 0.00 0.00 54.13 52.05 2d9f s LEU 60 Cb -0.07 -2.62 -0.03 0.00 0.66 0.00 0.00 46.19 44.13 2d9f s LEU 60 CO -0.13 -0.28 -0.26 0.54 -1.89 0.00 0.00 176.35 174.32 2d9f s VAL 61 N 2.27 2.13 0.20 1.68 0.11 -1.26 -1.36 120.40 124.17 2d9f s VAL 61 Ca 0.20 -1.44 -0.23 0.00 -2.93 0.00 0.00 61.98 57.58 2d9f s VAL 61 Cb -0.16 -1.83 0.05 0.00 -1.53 0.00 0.00 36.38 32.91 2d9f s VAL 61 CO 0.09 0.31 0.83 0.72 -3.33 0.00 0.00 175.10 173.73 2d9f s PHE 62 N -0.85 -0.19 -0.80 1.54 -0.12 -1.14 -5.01 117.98 111.40 2d9f s PHE 62 Ca 0.12 -0.17 -0.13 0.00 -0.05 0.00 0.00 56.93 56.70 2d9f s PHE 62 Cb -0.10 0.66 0.21 0.00 -0.63 0.00 0.00 43.02 43.16 2d9f s PHE 62 CO 0.03 -0.99 0.73 0.99 -0.05 0.00 0.00 175.22 175.93 2d9f s THR 63 N -3.57 5.46 -0.13 -4.49 2.01 -1.26 -2.34 115.64 111.32 2d9f s THR 63 Ca 0.11 -2.46 -0.41 0.00 0.31 0.00 0.00 61.69 59.23 2d9f s THR 63 Cb -0.03 -4.39 -0.19 0.00 0.01 0.00 0.00 72.50 67.89 2d9f s THR 63 CO 0.03 -1.01 1.29 -0.11 -0.69 0.00 0.00 174.62 174.12 2d9f n LEU 64 N 3.99 0.68 0.00 4.42 7.94 -1.14 -2.05 117.00 130.84 2d9f n LEU 64 Ca 0.12 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 2d9f n LEU 64 Cb 0.46 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.45 2d9f n LEU 64 CO 0.34 -1.42 0.00 0.61 -1.11 0.00 0.00 177.39 175.81 2d9f n GLY 65 N 2.45 1.45 0.38 -3.96 0.00 -1.26 0.16 105.19 104.40 2d9f n GLY 65 Ca 0.23 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 1.37 -3.28 1.61 2.03 -0.87 -4.94 116.55 112.48 2d9f n ASP 66 Ca 0.00 -1.19 -0.23 0.00 0.52 0.00 0.00 54.79 53.89 2d9f n ASP 66 Cb 0.00 0.13 0.01 0.00 -0.72 0.00 0.00 41.12 40.53 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d9f n ASP 68 N -2.35 0.37 -4.11 0.00 2.03 -1.26 -4.69 116.55 106.53 2d9f n ASP 68 Ca -0.04 0.64 -0.22 0.00 0.52 0.00 0.00 54.79 55.69 2d9f n ASP 68 Cb 0.56 -0.70 -0.02 0.00 -0.72 0.00 0.00 41.12 40.24 2d9f n ASP 68 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2d9f n VAL 69 N -1.97 0.00 -1.50 5.18 0.24 -1.26 -5.08 118.33 113.93 2d9f n VAL 69 Ca 0.00 -1.73 -0.41 0.00 -2.04 0.00 0.00 64.34 60.16 2d9f n VAL 69 Cb 0.09 0.07 0.01 0.00 -1.47 0.00 0.00 33.84 32.54 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 -1.27 2.08 0.43 1.34 2.08 -1.26 -4.71 119.36 118.04 2d9f n ILE 70 Ca -0.08 -0.50 0.10 0.00 0.56 0.00 0.00 62.75 62.83 2d9f n ILE 70 Cb 0.48 -0.74 0.41 0.00 -0.75 0.00 0.00 39.64 39.05 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 0.35 0.11 0.01 0.38 6.02 -0.88 -1.54 117.38 121.83 2d9f n GLN 71 Ca 0.11 0.36 0.11 0.00 -0.01 0.00 0.00 57.00 57.57 2d9f n GLN 71 Cb 0.40 -1.72 0.02 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.66 4.04 -0.13 -1.58 0.00 -1.25 -3.44 120.51 116.49 2d9f n ALA 72 Ca 0.03 -0.48 -0.22 0.00 0.00 0.00 0.00 53.44 52.77 2d9f n ALA 72 Cb 0.20 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.63 2.48 0.21 0.00 7.94 -0.74 -3.95 117.00 121.30 2d9f n LEU 73 Ca 0.04 0.07 0.08 0.00 -1.11 0.00 0.00 56.01 55.09 2d9f n LEU 73 Cb 0.36 -0.81 0.39 0.00 0.53 0.00 0.00 43.42 43.89 2d9f n LEU 73 CO 0.40 0.75 0.75 -0.78 -1.11 0.00 0.00 177.39 177.40 2d9f h ASP 74 N -0.41 0.00 0.00 1.96 3.58 -1.48 0.22 116.42 120.29 2d9f h ASP 74 Ca -0.59 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.86 2d9f h ASP 74 Cb 1.73 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.78 2d9f h ASP 74 CO -0.22 0.28 -0.02 0.18 -2.88 0.00 0.00 179.24 176.57 2d9f n LEU 75 N -3.40 1.62 -0.01 2.28 4.32 -1.22 -4.11 117.00 116.48 2d9f n LEU 75 Ca 0.00 -0.54 -0.01 0.00 -0.02 0.00 0.00 56.01 55.44 2d9f n LEU 75 Cb 0.48 -0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 42.25 2d9f n LEU 75 CO 0.35 0.27 -0.57 -1.54 -1.22 0.00 0.00 177.39 174.68 2d9f n SER 76 N 0.24 4.26 -0.07 -1.43 3.41 -1.00 -4.64 113.62 114.39 2d9f n SER 76 Ca 0.18 -0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.67 2d9f n SER 76 Cb 0.38 0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 64.62 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 0.13 0.00 -3.33 2.07 -0.72 0.37 116.25 114.76 2d9f h VAL 77 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2d9f h VAL 77 Cb 1.11 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2d9f h VAL 77 CO -0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2d9f n PRO 78 N -5.42 0.49 -0.26 1.57 -0.04 -1.26 -1.95 135.00 128.12 2d9f n PRO 78 Ca -0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 2d9f n PRO 78 Cb 0.35 -1.34 0.20 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.84 3.29 -3.98 1.53 4.77 0.13 -4.86 117.00 117.04 2d9f n LEU 79 Ca 0.08 -2.16 -0.09 0.00 -0.03 0.00 0.00 56.01 53.81 2d9f n LEU 79 Cb 0.04 -0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.70 2d9f n LEU 79 CO 0.06 0.76 -0.33 0.00 -1.33 0.00 0.00 177.39 176.55 2d9f s MET 80 N -1.29 0.39 0.34 3.23 0.23 -0.82 -5.06 119.30 116.33 2d9f s MET 80 Ca 0.30 -0.68 -0.21 0.00 -1.03 0.00 0.00 55.69 54.07 2d9f s MET 80 Cb 0.18 0.14 -0.10 0.00 -1.53 0.00 0.00 34.83 33.52 2d9f s MET 80 CO 0.17 -0.07 0.87 -0.51 -2.03 0.00 0.00 175.02 173.46 2d9f s ASP 81 N -1.70 7.05 -0.23 -1.18 1.01 -1.26 -4.24 116.67 116.12 2d9f s ASP 81 Ca -0.12 1.62 -0.28 0.00 0.71 0.00 0.00 52.55 54.48 2d9f s ASP 81 Cb -0.07 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2d9f s ASP 81 CO -0.02 -0.18 2.14 0.54 0.21 0.00 0.00 175.17 177.86 2d9f s VAL 82 N -1.87 3.09 0.00 -1.27 0.11 -0.70 -1.95 120.40 117.81 2d9f s VAL 82 Ca 0.54 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 2d9f s VAL 82 Cb -0.13 -3.12 0.00 0.00 -1.53 0.00 0.00 36.38 31.59 2d9f s VAL 82 CO 0.18 -0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 2d9f n GLY 83 N 5.67 1.45 3.26 6.54 0.00 -0.06 -4.47 105.19 117.58 2d9f n GLY 83 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.19 2.84 -0.27 1.61 2.12 -0.82 -3.99 118.70 119.99 2d9f s GLU 84 Ca 0.00 -0.87 -0.20 0.00 0.36 0.00 0.00 54.97 54.26 2d9f s GLU 84 Cb 0.00 -2.26 -0.02 0.00 0.26 0.00 0.00 34.13 32.11 2d9f s GLU 84 CO 0.00 0.28 0.62 0.99 -0.54 0.00 0.00 175.26 176.61 2d9f s THR 85 N 0.09 4.98 -0.02 -1.70 2.01 0.25 -3.63 115.64 117.61 2d9f s THR 85 Ca -0.11 1.05 0.03 0.00 0.31 0.00 0.00 61.69 62.97 2d9f s THR 85 Cb -0.16 -3.94 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 2d9f s THR 85 CO 0.06 -0.00 -0.10 0.00 -0.69 0.00 0.00 174.62 173.89 2d9f s ALA 86 N 2.51 0.93 0.07 7.40 0.00 -0.39 0.18 121.76 132.47 2d9f s ALA 86 Ca 0.26 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2d9f s ALA 86 Cb -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2d9f s ALA 86 CO 0.09 0.17 0.18 1.41 0.00 0.00 0.00 175.76 177.61 2d9f s MET 87 N 0.07 3.29 -0.02 0.00 -2.45 0.21 -0.67 119.30 119.73 2d9f s MET 87 Ca -0.01 -0.52 0.02 0.00 -1.25 0.00 0.00 55.69 53.93 2d9f s MET 87 Cb -0.08 -2.95 0.00 0.00 1.25 0.00 0.00 34.83 33.05 2d9f s MET 87 CO 0.00 0.59 -0.08 0.14 1.05 0.00 0.00 175.02 176.72 2d9f s VAL 88 N -1.50 0.72 -0.30 10.11 -7.23 0.08 -0.80 120.40 121.47 2d9f s VAL 88 Ca 0.33 -0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 60.17 2d9f s VAL 88 Cb -0.13 -0.64 0.10 0.00 0.56 0.00 0.00 36.38 36.27 2d9f s VAL 88 CO 0.26 0.23 0.09 0.42 -0.31 0.00 0.00 175.10 175.79 2d9f s THR 89 N 0.17 0.85 0.38 5.32 -4.23 -1.13 -1.79 115.64 115.22 2d9f s THR 89 Ca -0.02 -1.33 0.05 0.00 -1.18 0.00 0.00 61.69 59.21 2d9f s THR 89 Cb -0.08 -1.62 -0.07 0.00 1.34 0.00 0.00 72.50 72.08 2d9f s THR 89 CO 0.00 -0.63 0.03 0.00 -0.54 0.00 0.00 174.62 173.48 2d9f s ALA 90 N 1.64 2.91 0.56 3.99 0.00 -1.25 -2.85 121.76 126.75 2d9f s ALA 90 Ca 0.09 -2.03 -0.18 0.00 0.00 0.00 0.00 51.96 49.84 2d9f s ALA 90 Cb -0.17 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2d9f s ALA 90 CO -0.24 -0.20 1.06 0.34 0.00 0.00 0.00 175.76 176.72 2d9f s ASP 91 N -3.63 5.93 0.45 0.00 2.15 -1.26 -3.39 116.67 116.91 2d9f s ASP 91 Ca 0.33 1.90 0.30 0.00 0.43 0.00 0.00 52.55 55.51 2d9f s ASP 91 Cb 0.09 -2.55 1.40 0.00 -0.30 0.00 0.00 42.92 41.56 2d9f s ASP 91 CO 0.16 -1.07 1.65 -1.28 -0.17 0.00 0.00 175.17 174.46 2d9f h SER 92 N 0.86 0.25 -0.92 -0.34 0.87 -1.86 0.48 113.55 112.89 2d9f h SER 92 Ca -0.48 0.11 0.22 0.00 -1.23 0.00 0.00 61.79 60.41 2d9f h SER 92 Cb 1.23 0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 63.15 2d9f h SER 92 CO 0.58 -0.11 0.45 0.07 -0.53 0.00 0.00 176.83 177.28 2d9f h LYS 93 N 0.12 0.45 0.00 2.24 2.10 -1.91 0.51 116.57 120.09 2d9f h LYS 93 Ca 0.78 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 59.30 2d9f h LYS 93 Cb 2.46 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 33.67 2d9f h LYS 93 CO -0.35 0.30 -0.81 1.88 -2.00 0.00 0.00 179.45 178.48 2d9f h TYR 94 N 0.47 0.00 0.00 0.07 0.05 -0.39 -3.26 116.97 113.91 2d9f h TYR 94 Ca 0.57 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.35 2d9f h TYR 94 Cb 1.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.81 2d9f h TYR 94 CO -0.10 0.42 0.00 0.00 -1.05 0.00 0.00 178.16 177.43 2d9f n TYR 96 N -1.79 0.00 0.00 0.00 4.02 0.74 -4.54 117.16 115.59 2d9f n TYR 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2d9f n TYR 96 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2d9f n TYR 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2d9f n GLY 97 N 2.26 3.12 0.00 2.72 0.00 0.14 -4.67 105.19 108.75 2d9f n GLY 97 Ca 0.00 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 0.49 -0.11 1.61 -0.04 -1.26 -2.46 135.00 131.94 2d9f n PRO 98 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2d9f n PRO 98 Cb 0.00 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 31.89 2d9f n PRO 98 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2d9f n GLN 99 N -0.93 0.70 0.00 0.54 6.02 -1.26 -4.52 117.38 117.92 2d9f n GLN 99 Ca 0.10 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2d9f n GLN 99 Cb 0.05 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.80 2d9f n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2d9f n GLY 100 N 2.00 -0.63 2.40 1.08 0.00 -1.03 -4.58 105.19 104.45 2d9f n GLY 100 Ca -0.38 -2.24 -0.18 0.00 0.00 0.00 0.00 46.02 43.22 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 2.34 0.00 1.61 2.88 -0.99 -4.67 113.62 114.79 2d9f n SER 101 Ca 0.00 -2.27 0.00 0.00 -1.33 0.00 0.00 58.87 55.27 2d9f n SER 101 Cb 0.00 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2d9f n SER 101 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2d9f n ARG 102 N -1.18 0.00 -3.44 -1.46 3.00 -1.26 -4.17 116.66 108.15 2d9f n ARG 102 Ca -0.05 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.63 2d9f n ARG 102 Cb 0.40 -0.14 -0.11 0.00 0.00 0.00 0.00 32.46 32.61 2d9f n ARG 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2d9f s SER 103 N -4.71 1.50 0.76 6.15 0.15 -1.26 -2.35 113.70 113.93 2d9f s SER 103 Ca 0.00 -0.46 -0.11 0.00 0.70 0.00 0.00 55.95 56.08 2d9f s SER 103 Cb 0.00 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.83 2d9f s SER 103 CO 0.00 -0.36 1.09 -2.16 1.20 0.00 0.00 173.24 173.02 2d9f s PRO 104 N 2.35 2.33 0.22 5.44 0.04 -1.26 -5.15 135.00 138.97 2d9f s PRO 104 Ca 0.09 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.28 2d9f s PRO 104 Cb -0.15 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2d9f s PRO 104 CO -0.23 -1.59 0.48 -0.47 0.04 0.00 0.00 177.00 175.23 2d9f s TYR 105 N -2.81 3.46 -0.08 0.56 6.14 -0.99 -4.68 117.35 118.95 2d9f s TYR 105 Ca 0.62 0.64 -0.08 0.00 0.64 0.00 0.00 57.07 58.90 2d9f s TYR 105 Cb -0.18 -2.09 0.02 0.00 0.42 0.00 0.00 41.96 40.14 2d9f s TYR 105 CO 0.54 0.30 0.22 0.96 0.64 0.00 0.00 175.55 178.21 2d9f s ILE 106 N -1.86 0.01 0.49 3.14 -5.25 -1.26 -4.84 121.20 111.63 2d9f s ILE 106 Ca 0.43 -0.06 -0.22 0.00 -0.99 0.00 0.00 60.65 59.82 2d9f s ILE 106 Cb -0.11 -0.33 -0.07 0.00 2.95 0.00 0.00 42.46 44.90 2d9f s ILE 106 CO 0.26 -0.03 1.15 -2.16 -1.79 0.00 0.00 174.94 172.37 2d9f s PRO 107 N -0.03 3.61 0.78 0.37 0.04 -1.26 -2.35 135.00 136.16 2d9f s PRO 107 Ca -0.01 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 2d9f s PRO 107 Cb -0.02 -2.26 0.06 0.00 0.04 0.00 0.00 34.50 32.33 2d9f s PRO 107 CO 0.01 -0.66 1.09 -1.25 0.04 0.00 0.00 177.00 176.23 2d9f s PRO 108 N -2.92 2.18 -0.88 0.56 0.04 -1.26 -3.39 135.00 129.32 2d9f s PRO 108 Ca 0.67 1.15 -0.08 0.00 0.04 0.00 0.00 61.00 62.78 2d9f s PRO 108 Cb -0.27 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.46 2d9f s PRO 108 CO 0.32 -1.69 0.27 0.72 0.04 0.00 0.00 177.00 176.65 2d9f n HIS 109 N -3.56 -1.68 -3.87 0.56 8.25 -1.26 -4.88 115.22 108.79 2d9f n HIS 109 Ca 0.09 0.29 -0.34 0.00 -0.26 0.00 0.00 57.72 57.50 2d9f n HIS 109 Cb 0.53 -1.84 -0.13 0.00 1.12 0.00 0.00 29.99 29.67 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 -2.60 3.08 0.83 -1.41 0.00 -1.22 -4.76 121.76 115.69 2d9f s ALA 110 Ca 0.31 -2.59 -0.15 0.00 0.00 0.00 0.00 51.96 49.53 2d9f s ALA 110 Cb -0.18 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 2d9f s ALA 110 CO 0.38 -1.78 0.28 0.00 0.00 0.00 0.00 175.76 174.64 2d9f n ALA 111 N 4.39 -2.52 -3.56 0.00 0.00 -1.26 -3.84 120.51 113.70 2d9f n ALA 111 Ca 0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.90 2d9f n ALA 111 Cb 0.41 -1.72 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 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 0.79 0.37 -0.09 0.00 1.43 -1.22 -3.60 118.68 116.36 2d9f s LEU 112 Ca 0.58 0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 54.07 2d9f s LEU 112 Cb -0.28 1.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.95 2d9f s LEU 112 CO 0.65 -0.16 0.97 0.00 0.23 0.00 0.00 176.35 178.05 2d9f s LEU 114 N 1.78 1.59 -0.46 0.00 1.43 -0.74 -2.72 118.68 119.55 2d9f s LEU 114 Ca 0.48 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.96 2d9f s LEU 114 Cb -0.19 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 44.99 2d9f s LEU 114 CO 0.19 -0.05 0.52 -0.70 0.23 0.00 0.00 176.35 176.54 2d9f s GLU 115 N 1.42 3.11 -0.02 1.70 2.12 -1.25 -0.74 118.70 125.04 2d9f s GLU 115 Ca 0.02 -0.85 -0.19 0.00 0.36 0.00 0.00 54.97 54.31 2d9f s GLU 115 Cb -0.13 -4.04 -0.05 0.00 0.26 0.00 0.00 34.13 30.17 2d9f s GLU 115 CO -0.08 -1.03 0.54 0.08 -0.54 0.00 0.00 175.26 174.22 2d9f s VAL 116 N 2.32 4.97 -0.22 3.70 1.01 0.15 -3.91 120.40 128.43 2d9f s VAL 116 Ca 0.13 1.11 -0.04 0.00 0.00 0.00 0.00 61.98 63.18 2d9f s VAL 116 Cb -0.19 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.40 2d9f s VAL 116 CO 0.13 0.44 0.10 -0.89 0.00 0.00 0.00 175.10 174.88 2d9f s THR 117 N -0.25 -0.03 -0.53 3.92 2.01 -1.25 -1.26 115.64 118.25 2d9f s THR 117 Ca 0.29 -0.45 -0.28 0.00 0.31 0.00 0.00 61.69 61.56 2d9f s THR 117 Cb -0.17 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.57 2d9f s THR 117 CO 0.15 -0.46 1.42 -0.22 -0.69 0.00 0.00 174.62 174.82 2d9f s LEU 118 N 2.10 3.43 -0.12 4.42 1.98 -1.24 -2.81 118.68 126.44 2d9f s LEU 118 Ca 0.05 0.38 -0.09 0.00 -2.89 0.00 0.00 54.13 51.58 2d9f s LEU 118 Cb -0.16 -3.14 -0.03 0.00 0.66 0.00 0.00 46.19 43.52 2d9f s LEU 118 CO -0.20 -1.67 -0.17 0.29 -1.89 0.00 0.00 176.35 172.71 2d9f n LYS 119 N 8.56 0.39 -3.93 1.98 4.76 -1.01 -0.88 118.16 128.03 2d9f n LYS 119 Ca 0.13 0.44 -0.10 0.00 -2.87 0.00 0.00 58.31 55.91 2d9f n LYS 119 Cb 0.49 -1.51 -0.10 0.00 -1.84 0.00 0.00 35.03 32.07 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 -2.13 0.11 -0.22 -0.18 -4.23 -1.19 -4.60 115.64 103.21 2d9f s THR 120 Ca -0.14 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 59.40 2d9f s THR 120 Cb 0.02 -0.58 0.09 0.00 1.34 0.00 0.00 72.50 73.37 2d9f s THR 120 CO 0.21 -0.51 0.17 0.00 -0.54 0.00 0.00 174.62 173.95 2d9f s ALA 121 N -1.91 0.08 0.38 3.99 0.00 -1.26 -1.06 121.76 121.98 2d9f s ALA 121 Ca -0.11 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.69 2d9f s ALA 121 Cb -0.06 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2d9f s ALA 121 CO -0.02 -1.33 0.22 1.33 0.00 0.00 0.00 175.76 175.96 2d9f n VAL 122 N 5.29 0.00 -0.00 0.00 0.24 0.75 -4.94 118.33 119.67 2d9f n VAL 122 Ca -0.06 -2.48 -0.15 0.00 -2.04 0.00 0.00 64.34 59.61 2d9f n VAL 122 Cb 0.48 1.06 -0.14 0.00 -1.47 0.00 0.00 33.84 33.77 2d9f n VAL 122 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2d9f h ASP 123 N 1.89 0.21 -4.12 -1.34 1.82 -1.93 1.89 116.42 114.84 2d9f h ASP 123 Ca -0.29 -0.47 -0.46 0.00 -0.39 0.00 0.00 57.03 55.42 2d9f h ASP 123 Cb 1.25 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 41.19 2d9f h ASP 123 CO 0.44 1.42 0.36 0.00 -1.61 0.00 0.00 179.24 179.85 2d9f s ARG 124 N -2.58 3.97 0.45 0.28 1.70 -1.26 -4.40 118.95 117.11 2d9f s ARG 124 Ca -0.13 1.13 -0.23 0.00 -0.47 0.00 0.00 55.73 56.03 2d9f s ARG 124 Cb 0.07 -2.13 -0.07 0.00 -0.57 0.00 0.00 34.95 32.24 2d9f s ARG 124 CO 0.80 -0.26 1.17 -1.25 -1.08 0.00 0.00 175.30 174.68 2d9f s PRO 125 N -3.54 3.79 0.37 3.89 0.04 -1.26 -4.80 135.00 133.47 2d9f s PRO 125 Ca 0.62 1.78 0.03 0.00 0.04 0.00 0.00 61.00 63.48 2d9f s PRO 125 Cb -0.11 -2.43 0.70 0.00 0.04 0.00 0.00 34.50 32.69 2d9f s PRO 125 CO 0.22 -0.53 2.02 0.38 0.04 0.00 0.00 177.00 179.13 2d9f h ASP 126 N 2.11 0.66 -2.53 6.66 2.03 -1.97 -3.40 116.42 119.98 2d9f h ASP 126 Ca -0.49 -0.02 -0.55 0.00 -0.73 0.00 0.00 57.03 55.24 2d9f h ASP 126 Cb 1.25 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 39.55 2d9f h ASP 126 CO 0.60 0.48 1.28 -0.22 -1.03 0.00 0.00 179.24 180.35 2d9f s LEU 127 N -9.67 3.45 -0.25 0.15 2.96 -1.26 -4.90 118.68 109.16 2d9f s LEU 127 Ca -0.10 0.99 -0.35 0.00 -0.22 0.00 0.00 54.13 54.45 2d9f s LEU 127 Cb 0.18 -3.23 -0.12 0.00 0.50 0.00 0.00 46.19 43.51 2d9f s LEU 127 CO 0.76 -1.88 2.02 1.21 -1.32 0.00 0.00 176.35 177.14 2d9f n GLU 128 N 8.60 1.48 -3.54 1.98 4.07 -1.26 -4.90 120.64 127.07 2d9f n GLU 128 Ca 0.22 0.48 -0.08 0.00 -0.06 0.00 0.00 57.16 57.72 2d9f n GLU 128 Cb 0.48 -2.51 -0.03 0.00 -0.06 0.00 0.00 31.44 29.32 2d9f n GLU 128 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2d9f s MET 129 N 5.14 0.65 -0.18 5.31 0.23 -1.26 -5.15 119.30 124.03 2d9f s MET 129 Ca 1.02 -0.13 -0.04 0.00 -1.03 0.00 0.00 55.69 55.51 2d9f s MET 129 Cb -0.81 0.30 0.06 0.00 -1.53 0.00 0.00 34.83 32.85 2d9f s MET 129 CO 0.52 -0.26 0.07 0.45 -2.03 0.00 0.00 175.02 173.77 2d9f s SER 130 N -2.00 2.52 0.00 -1.18 0.15 -1.26 -5.02 113.70 106.91 2d9f s SER 130 Ca 0.04 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2d9f s SER 130 Cb -0.01 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2d9f s SER 130 CO -0.05 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2d9f n GLY 131 N 5.20 -1.25 3.77 9.45 0.00 -1.26 -5.16 105.19 115.95 2d9f n GLY 131 Ca -0.08 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.48 3.06 0.15 1.61 0.04 -1.26 -5.07 135.00 133.06 2d9f s PRO 132 Ca 0.00 1.49 0.07 0.00 0.04 0.00 0.00 61.00 62.60 2d9f s PRO 132 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2d9f s PRO 132 CO 0.00 -1.06 -0.15 -1.12 0.04 0.00 0.00 177.00 174.70 2d9f s SER 133 N -2.22 2.31 0.10 6.66 0.01 -1.26 -5.14 113.70 114.17 2d9f s SER 133 Ca 0.70 -0.86 -0.24 0.00 1.31 0.00 0.00 55.95 56.85 2d9f s SER 133 Cb -0.22 -0.11 -0.07 0.00 0.21 0.00 0.00 66.02 65.84 2d9f s SER 133 CO 0.35 -0.11 0.74 -0.55 0.41 0.00 0.00 173.24 174.08 2d9f s SER 134 N -2.66 7.28 0.00 2.44 0.15 -1.26 -5.35 113.70 114.30 2d9f s SER 134 Ca 0.13 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2d9f s SER 134 Cb -0.04 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2d9f s SER 134 CO 0.05 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.24