#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 6.66 -0.42 1.61 0.15 -1.26 -4.97 113.70 115.48 2d9f s SER 2 Ca 0.00 2.27 0.02 0.00 0.70 0.00 0.00 55.95 58.94 2d9f s SER 2 Cb 0.00 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.90 2d9f s SER 2 CO 0.00 -0.91 0.20 -0.44 1.20 0.00 0.00 173.24 173.28 2d9f s SER 3 N 3.19 3.92 0.00 5.45 0.01 -1.26 -5.04 113.70 119.97 2d9f s SER 3 Ca 0.73 -2.45 0.00 0.00 1.31 0.00 0.00 55.95 55.54 2d9f s SER 3 Cb -0.34 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2d9f s SER 3 CO 0.30 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2d9f n GLY 4 N 3.79 3.74 3.63 3.44 0.00 -1.26 -5.09 105.19 113.45 2d9f n GLY 4 Ca 0.06 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 2d9f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9f s SER 5 N 0.00 6.45 0.03 1.61 0.01 -1.26 -4.99 113.70 115.55 2d9f s SER 5 Ca 0.00 1.63 0.01 0.00 1.31 0.00 0.00 55.95 58.90 2d9f s SER 5 Cb 0.00 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2d9f s SER 5 CO 0.00 -1.20 -0.05 -0.44 0.41 0.00 0.00 173.24 171.96 2d9f s SER 6 N 3.94 0.53 0.12 2.44 0.01 -1.26 -5.17 113.70 114.31 2d9f s SER 6 Ca 0.69 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 57.47 2d9f s SER 6 Cb -0.25 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 2d9f s SER 6 CO 0.28 -0.20 0.13 -0.83 0.41 0.00 0.00 173.24 173.03 2d9f s GLY 7 N -1.26 0.59 -0.30 3.44 0.00 -1.26 -5.04 107.32 103.49 2d9f s GLY 7 Ca -0.10 -1.11 0.08 0.00 0.00 0.00 0.00 44.72 43.59 2d9f s GLY 7 CO -0.00 -1.11 1.69 1.18 0.00 0.00 0.00 173.10 174.86 2d9f n GLU 8 N -0.08 3.25 -0.23 2.90 -0.58 -1.26 -4.56 120.64 120.08 2d9f n GLU 8 Ca -0.09 -2.68 0.03 0.00 -0.42 0.00 0.00 57.16 54.00 2d9f n GLU 8 Cb 0.63 -2.10 0.15 0.00 -0.57 0.00 0.00 31.44 29.55 2d9f n GLU 8 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2d9f h GLU 9 N 2.18 0.30 -5.57 3.49 4.11 -2.02 -3.43 114.58 113.64 2d9f h GLU 9 Ca 0.28 -0.02 -0.63 0.00 0.07 0.00 0.00 59.36 59.06 2d9f h GLU 9 Cb 2.21 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 31.30 2d9f h GLU 9 CO 0.70 0.20 -0.42 -1.58 0.07 0.00 0.00 179.01 177.98 2d9f s TRP 10 N -6.07 1.79 -0.18 2.06 0.52 -1.26 -5.07 118.94 110.73 2d9f s TRP 10 Ca -0.13 -0.88 -0.09 0.00 0.02 0.00 0.00 56.10 55.02 2d9f s TRP 10 Cb 0.19 -1.77 -0.05 0.00 -1.15 0.00 0.00 33.47 30.70 2d9f s TRP 10 CO 0.75 -0.10 0.12 -1.17 0.02 0.00 0.00 176.95 176.57 2d9f s LEU 11 N -4.07 4.18 -0.68 2.99 0.20 -1.07 -4.93 118.68 115.30 2d9f s LEU 11 Ca 0.20 0.26 -0.20 0.00 0.69 0.00 0.00 54.13 55.09 2d9f s LEU 11 Cb -0.00 -2.06 0.10 0.00 -0.43 0.00 0.00 46.19 43.80 2d9f s LEU 11 CO 0.12 0.24 0.87 1.51 -0.29 0.00 0.00 176.35 178.80 2d9f s ASP 12 N -0.00 6.28 0.21 3.68 -4.77 -1.26 -1.72 116.67 119.08 2d9f s ASP 12 Ca 0.09 -1.43 -0.11 0.00 -3.30 0.00 0.00 52.55 47.80 2d9f s ASP 12 Cb -0.11 -2.35 0.15 0.00 -1.09 0.00 0.00 42.92 39.51 2d9f s ASP 12 CO -0.00 -1.20 1.87 0.40 0.70 0.00 0.00 175.17 176.94 2d9f h ILE 13 N 5.88 1.17 0.00 2.11 2.04 -1.84 -3.02 117.51 123.86 2d9f h ILE 13 Ca -0.20 -0.33 -0.30 0.00 1.00 0.00 0.00 64.86 65.02 2d9f h ILE 13 Cb 1.07 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2d9f h ILE 13 CO 1.12 0.18 -1.78 0.18 0.00 0.00 0.00 178.15 177.84 2d9f n LEU 14 N -4.59 0.82 0.00 1.44 4.77 -1.26 -5.00 117.00 113.18 2d9f n LEU 14 Ca 0.07 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2d9f n LEU 14 Cb 0.03 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2d9f n LEU 14 CO 0.35 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2d9f n GLY 15 N 1.58 1.84 0.20 -0.72 0.00 -1.14 -4.92 105.19 102.03 2d9f n GLY 15 Ca -0.19 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2d9f n GLY 15 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d9f h ASN 16 N 1.13 0.62 0.00 1.61 2.35 -1.94 -3.48 115.58 115.88 2d9f h ASN 16 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2d9f h ASN 16 Cb 0.00 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2d9f h ASN 16 CO 0.00 0.78 0.00 0.61 -1.65 0.00 0.00 177.43 177.17 2d9f n GLY 17 N -0.34 1.27 0.12 2.83 0.00 -1.26 -5.02 105.19 102.78 2d9f n GLY 17 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.41 -8.57 0.99 -0.00 -1.92 -3.36 115.31 102.05 2d9f h LEU 18 Ca 0.00 0.04 -0.59 0.00 -0.00 0.00 0.00 57.88 57.34 2d9f h LEU 18 Cb 0.00 0.15 -0.10 0.00 -0.00 0.00 0.00 40.66 40.71 2d9f h LEU 18 CO 0.00 -0.14 0.73 -0.22 -0.00 0.00 0.00 178.44 178.81 2d9f s LEU 19 N -6.25 3.84 0.44 1.67 2.96 -1.26 -3.81 118.68 116.27 2d9f s LEU 19 Ca -0.04 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 2d9f s LEU 19 Cb 0.02 -3.05 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 2d9f s LEU 19 CO 0.15 -1.28 0.35 -0.13 -1.32 0.00 0.00 176.35 174.12 2d9f s ARG 20 N 4.28 2.41 -0.08 1.98 0.52 -0.93 -2.56 118.95 124.58 2d9f s ARG 20 Ca 0.37 -1.69 -0.06 0.00 -0.52 0.00 0.00 55.73 53.83 2d9f s ARG 20 Cb -0.10 -2.25 0.03 0.00 0.52 0.00 0.00 34.95 33.15 2d9f s ARG 20 CO 0.23 -0.27 0.21 0.21 0.02 0.00 0.00 175.30 175.70 2d9f s LYS 21 N -4.13 0.21 -0.15 3.54 2.20 -0.70 -2.79 119.74 117.92 2d9f s LYS 21 Ca 0.44 0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 56.38 2d9f s LYS 21 Cb -0.02 0.01 0.05 0.00 -1.51 0.00 0.00 37.83 36.37 2d9f s LYS 21 CO 0.26 -0.08 0.05 0.21 -0.36 0.00 0.00 175.35 175.43 2d9f s LYS 22 N 0.56 0.38 -0.55 4.03 2.20 -0.32 -2.61 119.74 123.44 2d9f s LYS 22 Ca -0.04 -0.15 -0.27 0.00 -0.36 0.00 0.00 55.97 55.15 2d9f s LYS 22 Cb -0.05 -1.69 -0.02 0.00 -1.51 0.00 0.00 37.83 34.56 2d9f s LYS 22 CO -0.03 -0.57 1.88 0.99 -0.36 0.00 0.00 175.35 177.26 2d9f s THR 23 N 2.00 3.36 0.11 3.43 2.01 -1.26 -0.16 115.64 125.13 2d9f s THR 23 Ca 0.02 0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.14 2d9f s THR 23 Cb -0.15 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 2d9f s THR 23 CO -0.07 -0.76 1.39 -0.07 -0.69 0.00 0.00 174.62 174.42 2d9f h LEU 24 N 16.11 0.90 -6.91 4.42 3.38 -0.60 -3.43 115.31 129.17 2d9f h LEU 24 Ca -0.27 -0.53 -0.32 0.00 0.09 0.00 0.00 57.88 56.85 2d9f h LEU 24 Cb 1.17 -0.26 -0.36 0.00 0.09 0.00 0.00 40.66 41.30 2d9f h LEU 24 CO 1.18 1.26 -0.63 -0.69 0.09 0.00 0.00 178.44 179.64 2d9f s VAL 25 N -4.14 -0.30 0.47 1.22 1.01 0.85 -4.96 120.40 114.55 2d9f s VAL 25 Ca -0.11 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 2d9f s VAL 25 Cb 0.09 -0.59 -0.07 0.00 0.00 0.00 0.00 36.38 35.81 2d9f s VAL 25 CO 0.87 -0.14 1.16 -2.16 0.00 0.00 0.00 175.10 174.83 2d9f s PRO 26 N 2.31 3.72 0.64 2.72 0.04 -1.26 -0.20 135.00 142.97 2d9f s PRO 26 Ca 0.05 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.85 2d9f s PRO 26 Cb -0.15 -2.37 0.08 0.00 0.04 0.00 0.00 34.50 32.11 2d9f s PRO 26 CO -0.11 -0.58 0.89 0.20 0.04 0.00 0.00 177.00 177.45 2d9f s GLY 27 N -1.40 1.79 0.89 0.56 0.00 -1.26 -4.80 107.32 103.09 2d9f s GLY 27 Ca 0.64 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.68 2d9f s GLY 27 CO 0.34 -1.13 1.09 2.56 0.00 0.00 0.00 173.10 175.96 2d9f s PRO 28 N -4.96 1.31 0.11 2.90 0.04 -1.26 -4.93 135.00 128.21 2d9f s PRO 28 Ca 0.62 0.84 0.18 0.00 0.04 0.00 0.00 61.00 62.68 2d9f s PRO 28 Cb -0.08 -1.81 0.77 0.00 0.04 0.00 0.00 34.50 33.43 2d9f s PRO 28 CO 0.42 -2.21 1.57 -0.35 0.04 0.00 0.00 177.00 176.46 2d9f n PRO 29 N -3.87 0.09 0.09 0.56 -0.04 -1.26 -2.84 135.00 127.73 2d9f n PRO 29 Ca 0.07 0.33 -0.19 0.00 -0.04 0.00 0.00 63.50 63.67 2d9f n PRO 29 Cb 0.55 -1.67 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 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 2.35 0.38 -1.16 0.55 0.00 -1.99 -3.47 103.07 99.73 2d9f h GLY 30 Ca 0.00 -0.97 -0.43 0.00 0.00 0.00 0.00 47.33 45.93 2d9f h GLY 30 CO 0.00 0.85 -0.22 -1.14 0.00 0.00 0.00 176.54 176.03 2d9f n SER 31 N -3.54 -2.13 -3.64 0.19 3.41 -1.13 -5.06 113.62 101.72 2d9f n SER 31 Ca -0.16 -0.24 -0.06 0.00 -0.26 0.00 0.00 58.87 58.15 2d9f n SER 31 Cb 1.06 -1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 2d9f n SER 31 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d9f s SER 32 N -2.31 -0.47 0.20 4.04 1.04 -1.26 -4.91 113.70 110.02 2d9f s SER 32 Ca 0.67 0.83 -0.29 0.00 0.48 0.00 0.00 55.95 57.63 2d9f s SER 32 Cb -0.23 1.01 -0.17 0.00 0.10 0.00 0.00 66.02 66.73 2d9f s SER 32 CO 0.65 -0.14 0.64 0.54 0.98 0.00 0.00 173.24 175.92 2d9f n ARG 33 N 2.89 0.20 0.00 4.02 1.74 -1.26 -4.06 116.66 120.19 2d9f n ARG 33 Ca -0.15 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2d9f n ARG 33 Cb 0.57 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 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 1.02 0.23 -4.41 5.56 -0.04 -1.26 -4.96 135.00 131.14 2d9f n PRO 34 Ca 0.17 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.36 2d9f n PRO 34 Cb 0.25 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.59 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 -0.38 2.41 -0.33 0.52 0.11 -1.26 -5.03 120.40 116.43 2d9f s VAL 35 Ca 0.00 -2.00 -0.27 0.00 -2.93 0.00 0.00 61.98 56.79 2d9f s VAL 35 Cb 0.00 -2.15 0.01 0.00 -1.53 0.00 0.00 36.38 32.71 2d9f s VAL 35 CO 0.00 -0.11 0.96 -0.75 -3.33 0.00 0.00 175.10 171.88 2d9f s LYS 36 N -2.65 3.97 0.00 1.54 2.20 -1.26 -3.53 119.74 120.00 2d9f s LYS 36 Ca 0.21 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 2d9f s LYS 36 Cb -0.08 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2d9f s LYS 36 CO 0.10 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 2d9f n GLY 37 N 4.12 0.93 3.93 5.54 0.00 -0.35 -4.89 105.19 114.48 2d9f n GLY 37 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 2.71 -0.53 1.61 -0.21 -1.23 -4.82 119.66 117.18 2d9f s GLN 38 Ca 0.00 -1.36 -0.27 0.00 0.02 0.00 0.00 55.36 53.75 2d9f s GLN 38 Cb 0.00 -2.56 0.03 0.00 1.00 0.00 0.00 33.01 31.48 2d9f s GLN 38 CO 0.00 -0.17 1.09 0.08 -2.12 0.00 0.00 175.29 174.17 2d9f s VAL 39 N -2.39 4.19 -0.18 1.09 1.01 0.36 -3.28 120.40 121.20 2d9f s VAL 39 Ca 0.50 0.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.25 2d9f s VAL 39 Cb -0.06 -4.62 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 2d9f s VAL 39 CO 0.30 -1.15 0.03 0.68 0.00 0.00 0.00 175.10 174.96 2d9f s VAL 40 N 4.48 4.41 -0.21 2.92 -7.23 -1.11 -1.29 120.40 122.37 2d9f s VAL 40 Ca 0.41 -0.16 -0.02 0.00 -1.81 0.00 0.00 61.98 60.39 2d9f s VAL 40 Cb -0.09 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.87 2d9f s VAL 40 CO 0.26 0.45 -0.09 -0.89 -0.31 0.00 0.00 175.10 174.52 2d9f s THR 41 N 0.57 2.94 0.37 5.32 2.01 -1.09 -2.98 115.64 122.78 2d9f s THR 41 Ca 0.01 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.43 2d9f s THR 41 Cb -0.13 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 2d9f s THR 41 CO 0.02 0.46 0.22 1.33 -0.69 0.00 0.00 174.62 175.95 2d9f n VAL 42 N 4.74 0.00 -3.83 3.82 0.24 -0.32 -2.60 118.33 120.38 2d9f n VAL 42 Ca -0.19 -2.39 -0.35 0.00 -2.04 0.00 0.00 64.34 59.37 2d9f n VAL 42 Cb 0.51 1.04 -0.12 0.00 -1.47 0.00 0.00 33.84 33.79 2d9f n VAL 42 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2d9f s HIS 43 N -3.22 3.61 -0.13 6.34 2.46 -1.11 -1.49 115.29 121.75 2d9f s HIS 43 Ca 0.31 -2.51 -0.05 0.00 0.47 0.00 0.00 55.06 53.27 2d9f s HIS 43 Cb 0.01 -3.12 -0.04 0.00 -0.13 0.00 0.00 32.58 29.31 2d9f s HIS 43 CO 0.22 -0.96 0.07 -1.17 -2.47 0.00 0.00 174.74 170.42 2d9f s LEU 44 N 1.10 3.94 -0.11 8.88 1.98 -0.95 -3.76 118.68 129.76 2d9f s LEU 44 Ca 0.08 0.24 -0.02 0.00 -2.89 0.00 0.00 54.13 51.54 2d9f s LEU 44 Cb -0.22 -1.95 0.04 0.00 0.66 0.00 0.00 46.19 44.71 2d9f s LEU 44 CO -0.05 0.32 0.01 -1.10 -1.89 0.00 0.00 176.35 173.64 2d9f s GLN 45 N -0.51 0.64 -0.11 1.98 -0.21 -1.26 -0.82 119.66 119.37 2d9f s GLN 45 Ca 0.10 -0.06 -0.23 0.00 0.02 0.00 0.00 55.36 55.20 2d9f s GLN 45 Cb -0.12 -1.34 -0.03 0.00 1.00 0.00 0.00 33.01 32.52 2d9f s GLN 45 CO 0.02 -0.41 0.69 0.99 -2.12 0.00 0.00 175.29 174.46 2d9f s THR 46 N 1.94 5.03 -0.12 -0.19 2.01 0.12 -4.03 115.64 120.39 2d9f s THR 46 Ca 0.03 1.38 -0.10 0.00 0.31 0.00 0.00 61.69 63.32 2d9f s THR 46 Cb -0.14 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.39 2d9f s THR 46 CO -0.06 0.20 0.30 -0.94 -0.69 0.00 0.00 174.62 173.43 2d9f s SER 47 N 0.91 -0.33 0.58 3.53 1.04 -1.03 -0.69 113.70 117.72 2d9f s SER 47 Ca 0.35 0.62 -0.20 0.00 0.48 0.00 0.00 55.95 57.20 2d9f s SER 47 Cb -0.17 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2d9f s SER 47 CO 0.15 -0.12 1.32 -0.76 0.98 0.00 0.00 173.24 174.81 2d9f s LEU 48 N 0.45 3.74 0.48 2.42 2.01 -1.00 -0.11 118.68 126.68 2d9f s LEU 48 Ca -0.02 2.67 0.31 0.00 0.01 0.00 0.00 54.13 57.10 2d9f s LEU 48 Cb -0.04 -4.43 1.41 0.00 0.01 0.00 0.00 46.19 43.15 2d9f s LEU 48 CO -0.02 -1.72 1.74 -0.08 1.01 0.00 0.00 176.35 177.28 2d9f h GLU 49 N 1.09 0.13 -0.04 1.70 4.22 -1.94 0.17 114.58 119.92 2d9f h GLU 49 Ca -0.51 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 58.90 2d9f h GLU 49 Cb 1.31 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2d9f h GLU 49 CO 0.56 0.09 -0.06 -2.95 -2.18 0.00 0.00 179.01 174.46 2d9f h ASN 50 N 0.14 0.12 0.00 1.04 7.08 -1.93 -3.48 115.58 118.55 2d9f h ASN 50 Ca 0.66 -0.55 0.00 0.00 -3.08 0.00 0.00 56.30 53.33 2d9f h ASN 50 Cb 2.24 -0.04 0.00 0.00 -2.08 0.00 0.00 38.32 38.45 2d9f h ASN 50 CO -0.17 0.65 0.00 0.61 -2.08 0.00 0.00 177.43 176.44 2d9f n GLY 51 N 0.39 0.09 2.99 9.14 0.00 0.60 -5.12 105.19 113.28 2d9f n GLY 51 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.13 2.71 -0.22 2.61 2.01 -1.24 -4.88 115.64 116.49 2d9f s THR 52 Ca 0.00 -3.04 -0.38 0.00 0.31 0.00 0.00 61.69 58.58 2d9f s THR 52 Cb 0.00 -2.88 -0.14 0.00 0.01 0.00 0.00 72.50 69.49 2d9f s THR 52 CO 0.00 -0.77 1.81 0.54 -0.69 0.00 0.00 174.62 175.52 2d9f n ARG 53 N 3.44 1.51 -0.07 4.92 1.74 -1.26 -2.37 116.66 124.57 2d9f n ARG 53 Ca 0.05 0.55 -0.21 0.00 -0.77 0.00 0.00 57.85 57.47 2d9f n ARG 53 Cb 0.35 -2.31 -0.13 0.00 -1.02 0.00 0.00 32.46 29.36 2d9f n ARG 53 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2d9f n VAL 54 N 4.90 1.64 -3.64 1.55 0.31 0.13 -4.95 118.33 118.26 2d9f n VAL 54 Ca 0.26 -0.53 -0.05 0.00 -0.01 0.00 0.00 64.34 64.01 2d9f n VAL 54 Cb 0.19 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 31.37 2d9f n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d9f s GLN 55 N -2.52 0.66 0.02 5.55 1.03 -1.14 -4.98 119.66 118.29 2d9f s GLN 55 Ca -0.29 1.29 0.07 0.00 0.04 0.00 0.00 55.36 56.47 2d9f s GLN 55 Cb 0.08 0.35 -0.03 0.00 0.03 0.00 0.00 33.01 33.44 2d9f s GLN 55 CO 0.67 -0.17 -0.21 -1.83 -2.54 0.00 0.00 175.29 171.22 2d9f s GLU 56 N 2.01 2.07 -0.23 9.60 -1.05 -1.26 0.11 118.70 129.95 2d9f s GLU 56 Ca -0.09 -0.97 -0.04 0.00 -0.15 0.00 0.00 54.97 53.72 2d9f s GLU 56 Cb -0.07 -2.14 0.08 0.00 -0.44 0.00 0.00 34.13 31.55 2d9f s GLU 56 CO -0.20 0.55 0.10 -2.00 0.95 0.00 0.00 175.26 174.66 2d9f s GLU 57 N -1.18 0.21 0.11 -4.83 -6.30 0.00 -5.01 118.70 101.71 2d9f s GLU 57 Ca 0.13 -0.35 -0.14 0.00 -2.50 0.00 0.00 54.97 52.11 2d9f s GLU 57 Cb -0.10 -1.61 -0.07 0.00 0.00 0.00 0.00 34.13 32.34 2d9f s GLU 57 CO 0.03 -0.82 1.44 -1.00 0.02 0.00 0.00 175.26 174.93 2d9f h PRO 58 N 8.38 0.76 -2.64 4.30 0.13 -1.87 -2.52 132.00 138.55 2d9f h PRO 58 Ca -0.17 -0.40 -0.68 0.00 -0.87 0.00 0.00 66.00 63.87 2d9f h PRO 58 Cb 1.08 0.01 -0.36 0.00 0.13 0.00 0.00 31.00 31.86 2d9f h PRO 58 CO 0.36 1.03 -0.07 -1.91 -0.23 0.00 0.00 178.00 177.18 2d9f n GLU 59 N -4.21 3.15 -3.07 0.86 2.13 -1.26 -4.23 120.64 114.01 2d9f n GLU 59 Ca -0.03 -4.60 -0.40 0.00 0.66 0.00 0.00 57.16 52.78 2d9f n GLU 59 Cb 0.49 -2.37 -0.05 0.00 0.27 0.00 0.00 31.44 29.78 2d9f n GLU 59 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2d9f s LEU 60 N -2.37 4.16 0.07 4.31 1.98 -0.56 -4.96 118.68 121.31 2d9f s LEU 60 Ca 0.35 0.92 0.07 0.00 -2.89 0.00 0.00 54.13 52.58 2d9f s LEU 60 Cb 0.07 -2.97 -0.03 0.00 0.66 0.00 0.00 46.19 43.93 2d9f s LEU 60 CO 0.00 -0.29 -0.20 0.54 -1.89 0.00 0.00 176.35 174.51 2d9f s VAL 61 N 1.92 1.63 0.18 1.68 0.11 -1.26 -1.17 120.40 123.48 2d9f s VAL 61 Ca 0.31 -1.37 -0.23 0.00 -2.93 0.00 0.00 61.98 57.76 2d9f s VAL 61 Cb -0.16 -1.46 0.07 0.00 -1.53 0.00 0.00 36.38 33.30 2d9f s VAL 61 CO 0.11 0.04 0.99 0.72 -3.33 0.00 0.00 175.10 173.62 2d9f s PHE 62 N -1.01 -0.04 -0.49 1.54 -0.12 -1.16 -5.03 117.98 111.68 2d9f s PHE 62 Ca 0.06 -0.32 -0.11 0.00 -0.05 0.00 0.00 56.93 56.51 2d9f s PHE 62 Cb -0.09 0.67 0.12 0.00 -0.63 0.00 0.00 43.02 43.09 2d9f s PHE 62 CO 0.03 -0.90 0.39 0.99 -0.05 0.00 0.00 175.22 175.68 2d9f s THR 63 N -2.79 4.50 0.37 -4.49 2.01 -1.26 -2.76 115.64 111.22 2d9f s THR 63 Ca 0.16 -1.69 -0.25 0.00 0.31 0.00 0.00 61.69 60.22 2d9f s THR 63 Cb -0.02 -3.93 -0.12 0.00 0.01 0.00 0.00 72.50 68.44 2d9f s THR 63 CO 0.04 -0.79 0.89 -0.11 -0.69 0.00 0.00 174.62 173.95 2d9f n LEU 64 N 5.01 1.60 0.00 4.42 7.94 -1.21 -1.80 117.00 132.96 2d9f n LEU 64 Ca -0.10 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 2d9f n LEU 64 Cb 0.41 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.09 2d9f n LEU 64 CO 0.46 -1.83 0.00 0.61 -1.11 0.00 0.00 177.39 175.52 2d9f n GLY 65 N 1.36 3.35 0.73 -3.96 0.00 -1.26 -1.21 105.19 104.21 2d9f n GLY 65 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2d9f n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d9f n ASP 66 N 0.01 2.45 -3.97 1.61 9.92 -0.75 -4.95 116.55 120.87 2d9f n ASP 66 Ca 0.00 -1.74 -0.32 0.00 -0.53 0.00 0.00 54.79 52.20 2d9f n ASP 66 Cb 0.00 0.15 -0.03 0.00 -0.64 0.00 0.00 41.12 40.60 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2d9f h ASP 68 N -1.08 0.00 -5.17 0.00 3.32 -1.93 -3.44 116.42 108.11 2d9f h ASP 68 Ca -0.50 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.24 2d9f h ASP 68 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 2d9f h ASP 68 CO 0.69 0.06 -0.10 1.33 -1.72 0.00 0.00 179.24 179.50 2d9f n VAL 69 N -3.27 0.00 -1.54 -1.35 0.24 -1.26 -5.07 118.33 106.08 2d9f n VAL 69 Ca -0.01 -1.19 -0.41 0.00 -2.04 0.00 0.00 64.34 60.69 2d9f n VAL 69 Cb 0.27 -0.47 0.01 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.49 2.30 0.38 1.34 2.08 -1.26 -4.72 119.36 118.00 2d9f n ILE 70 Ca 0.04 -0.50 0.10 0.00 0.56 0.00 0.00 62.75 62.95 2d9f n ILE 70 Cb 0.35 -0.89 0.42 0.00 -0.75 0.00 0.00 39.64 38.77 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 0.20 0.12 0.02 0.38 6.02 -0.97 -1.56 117.38 121.60 2d9f n GLN 71 Ca 0.11 0.39 0.11 0.00 -0.01 0.00 0.00 57.00 57.61 2d9f n GLN 71 Cb 0.40 -1.75 0.06 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 -1.68 3.51 -0.14 -1.58 0.00 -1.25 -3.39 120.51 115.98 2d9f n ALA 72 Ca 0.02 -0.40 -0.28 0.00 0.00 0.00 0.00 53.44 52.78 2d9f n ALA 72 Cb 0.18 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.86 2.15 0.21 0.00 7.94 -0.67 -4.01 117.00 120.76 2d9f n LEU 73 Ca 0.03 0.25 0.06 0.00 -1.11 0.00 0.00 56.01 55.24 2d9f n LEU 73 Cb 0.41 -0.84 0.48 0.00 0.53 0.00 0.00 43.42 44.00 2d9f n LEU 73 CO 0.39 0.64 0.81 -0.78 -1.11 0.00 0.00 177.39 177.34 2d9f h ASP 74 N -0.81 0.00 0.30 1.96 1.82 -1.49 0.46 116.42 118.66 2d9f h ASP 74 Ca -0.68 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 55.96 2d9f h ASP 74 Cb 1.67 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.68 2d9f h ASP 74 CO -0.36 0.28 -0.08 0.18 -1.61 0.00 0.00 179.24 177.65 2d9f n LEU 75 N -3.87 0.48 -0.01 2.28 4.32 -1.22 -3.78 117.00 115.19 2d9f n LEU 75 Ca -0.02 -0.02 -0.01 0.00 -0.02 0.00 0.00 56.01 55.94 2d9f n LEU 75 Cb 0.36 -0.15 -0.02 0.00 -1.62 0.00 0.00 43.42 41.99 2d9f n LEU 75 CO 0.36 0.09 -0.59 -1.54 -1.22 0.00 0.00 177.39 174.48 2d9f n SER 76 N -0.88 4.25 -0.01 -1.43 3.41 -0.68 -4.65 113.62 113.63 2d9f n SER 76 Ca 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.66 2d9f n SER 76 Cb 0.26 0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.22 0.00 -3.33 2.07 -0.21 0.19 116.25 115.19 2d9f h VAL 77 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2d9f h VAL 77 Cb 1.11 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 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 0.48 -0.18 1.57 -0.04 -1.26 -1.92 135.00 128.24 2d9f n PRO 78 Ca -0.03 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2d9f n PRO 78 Cb 0.34 -1.29 0.14 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.79 2.84 -4.22 1.53 4.77 0.65 -4.90 117.00 116.88 2d9f n LEU 79 Ca 0.07 -2.42 -0.17 0.00 -0.03 0.00 0.00 56.01 53.46 2d9f n LEU 79 Cb 0.03 -0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 2d9f n LEU 79 CO 0.05 0.66 -0.44 0.00 -1.33 0.00 0.00 177.39 176.33 2d9f s MET 80 N -1.74 0.96 0.07 3.23 0.23 -0.81 -5.05 119.30 116.20 2d9f s MET 80 Ca 0.24 -1.19 -0.11 0.00 -1.03 0.00 0.00 55.69 53.59 2d9f s MET 80 Cb 0.17 -0.81 -0.06 0.00 -1.53 0.00 0.00 34.83 32.60 2d9f s MET 80 CO 0.08 0.15 0.41 -0.51 -2.03 0.00 0.00 175.02 173.13 2d9f s ASP 81 N -2.38 6.67 -0.37 -1.18 1.01 -1.26 -4.19 116.67 114.96 2d9f s ASP 81 Ca 0.07 0.83 -0.27 0.00 0.71 0.00 0.00 52.55 53.88 2d9f s ASP 81 Cb -0.05 -2.19 -0.07 0.00 1.01 0.00 0.00 42.92 41.62 2d9f s ASP 81 CO 0.02 0.19 2.33 0.55 0.21 0.00 0.00 175.17 178.47 2d9f n VAL 82 N 1.00 0.12 0.00 -1.27 3.14 -1.26 -0.99 118.33 119.08 2d9f n VAL 82 Ca -0.09 -0.61 0.00 0.00 -2.96 0.00 0.00 64.34 60.68 2d9f n VAL 82 Cb 0.52 -2.61 0.00 0.00 -1.06 0.00 0.00 33.84 30.69 2d9f n VAL 82 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2d9f n GLY 83 N 5.94 1.11 3.67 7.55 0.00 -0.20 -4.64 105.19 118.62 2d9f n GLY 83 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.03 2.83 -0.28 1.61 -6.30 -0.16 -4.49 118.70 111.87 2d9f s GLU 84 Ca 0.00 -0.55 -0.09 0.00 -2.50 0.00 0.00 54.97 51.83 2d9f s GLU 84 Cb 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 34.13 31.42 2d9f s GLU 84 CO 0.00 0.65 0.11 0.99 0.02 0.00 0.00 175.26 177.04 2d9f s THR 85 N -0.99 4.47 0.14 -1.70 2.01 0.72 -3.35 115.64 116.94 2d9f s THR 85 Ca 0.17 -0.31 0.09 0.00 0.31 0.00 0.00 61.69 61.94 2d9f s THR 85 Cb -0.11 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2d9f s THR 85 CO 0.07 0.19 -0.20 0.00 -0.69 0.00 0.00 174.62 173.99 2d9f s ALA 86 N 1.61 1.95 0.20 7.40 0.00 -0.22 0.17 121.76 132.87 2d9f s ALA 86 Ca 0.05 -1.39 0.07 0.00 0.00 0.00 0.00 51.96 50.69 2d9f s ALA 86 Cb -0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2d9f s ALA 86 CO 0.05 0.30 0.05 1.41 0.00 0.00 0.00 175.76 177.57 2d9f s MET 87 N -2.41 2.54 -0.03 0.00 -2.45 0.77 0.35 119.30 118.07 2d9f s MET 87 Ca 0.12 -1.12 -0.00 0.00 -1.25 0.00 0.00 55.69 53.44 2d9f s MET 87 Cb -0.08 -2.40 0.03 0.00 1.25 0.00 0.00 34.83 33.64 2d9f s MET 87 CO 0.06 0.44 0.04 0.14 1.05 0.00 0.00 175.02 176.75 2d9f s VAL 88 N -1.89 -0.07 -0.31 10.11 -7.23 0.91 -1.17 120.40 120.75 2d9f s VAL 88 Ca 0.29 0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.71 2d9f s VAL 88 Cb -0.09 -0.10 0.10 0.00 0.56 0.00 0.00 36.38 36.85 2d9f s VAL 88 CO 0.20 0.10 0.07 0.42 -0.31 0.00 0.00 175.10 175.58 2d9f s THR 89 N 1.19 1.48 0.42 5.32 -4.23 -1.12 -2.07 115.64 116.64 2d9f s THR 89 Ca -0.08 -1.76 0.07 0.00 -1.18 0.00 0.00 61.69 58.74 2d9f s THR 89 Cb -0.13 -2.08 -0.06 0.00 1.34 0.00 0.00 72.50 71.57 2d9f s THR 89 CO -0.03 -0.60 0.07 0.00 -0.54 0.00 0.00 174.62 173.52 2d9f s ALA 90 N 1.32 3.39 0.51 3.99 0.00 -1.25 -2.18 121.76 127.54 2d9f s ALA 90 Ca 0.09 -2.10 -0.18 0.00 0.00 0.00 0.00 51.96 49.77 2d9f s ALA 90 Cb -0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.83 2d9f s ALA 90 CO -0.17 -0.14 1.01 0.34 0.00 0.00 0.00 175.76 176.81 2d9f s ASP 91 N -3.80 6.39 0.57 0.00 2.15 -1.26 -3.50 116.67 117.22 2d9f s ASP 91 Ca 0.35 1.76 0.35 0.00 0.43 0.00 0.00 52.55 55.45 2d9f s ASP 91 Cb 0.07 -2.54 1.44 0.00 -0.30 0.00 0.00 42.92 41.60 2d9f s ASP 91 CO 0.19 -0.75 1.68 -1.28 -0.17 0.00 0.00 175.17 174.84 2d9f h SER 92 N 1.18 0.00 -0.97 -0.34 0.87 -1.86 0.56 113.55 112.99 2d9f h SER 92 Ca -0.48 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.14 2d9f h SER 92 Cb 1.20 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.10 2d9f h SER 92 CO 0.60 0.00 0.63 0.07 -0.53 0.00 0.00 176.83 177.60 2d9f h LYS 93 N 0.00 1.12 0.00 2.24 2.10 -1.91 0.81 116.57 120.94 2d9f h LYS 93 Ca 0.54 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 2d9f h LYS 93 Cb 2.43 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 33.51 2d9f h LYS 93 CO -0.01 0.74 -0.61 1.88 -2.00 0.00 0.00 179.45 179.46 2d9f h TYR 94 N 1.16 0.00 0.00 0.07 0.05 -0.24 -3.32 116.97 114.69 2d9f h TYR 94 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.19 2d9f h TYR 94 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 2d9f h TYR 94 CO -0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 178.16 177.08 2d9f n TYR 96 N -3.25 0.00 0.00 0.00 4.02 0.80 -4.65 117.16 114.08 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 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 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 2.43 3.90 0.00 2.72 0.00 0.25 -4.78 105.19 109.70 2d9f n GLY 97 Ca 0.00 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.73 0.49 -0.06 1.61 -0.04 -1.26 -2.19 135.00 131.81 2d9f n PRO 98 Ca 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2d9f n PRO 98 Cb 0.00 -1.41 -0.15 0.00 -0.04 0.00 0.00 33.50 31.90 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 -0.91 0.89 0.00 0.54 10.64 -1.26 -4.50 117.38 122.78 2d9f n GLN 99 Ca 0.10 -0.06 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 2d9f n GLN 99 Cb 0.04 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 27.96 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 1.73 -0.87 3.47 2.61 0.00 -0.93 -4.65 105.19 106.54 2d9f n GLY 100 Ca -0.21 -2.19 -0.22 0.00 0.00 0.00 0.00 46.02 43.40 2d9f n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9f s SER 101 N -3.55 2.83 -0.26 1.61 0.15 -0.97 -4.59 113.70 108.92 2d9f s SER 101 Ca 0.00 -1.27 -0.14 0.00 0.70 0.00 0.00 55.95 55.24 2d9f s SER 101 Cb 0.00 -0.18 -0.14 0.00 -1.71 0.00 0.00 66.02 63.99 2d9f s SER 101 CO 0.00 -0.44 -0.22 0.54 1.20 0.00 0.00 173.24 174.32 2d9f n ARG 102 N -0.68 0.60 -3.22 5.44 5.12 -1.26 -3.81 116.66 118.85 2d9f n ARG 102 Ca -0.04 0.31 0.04 0.00 -1.93 0.00 0.00 57.85 56.22 2d9f n ARG 102 Cb 0.65 -1.55 -0.02 0.00 -1.16 0.00 0.00 32.46 30.38 2d9f n ARG 102 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2d9f s SER 103 N -7.28 -0.76 0.21 0.55 1.04 -1.26 -3.35 113.70 102.85 2d9f s SER 103 Ca -0.36 0.61 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 2d9f s SER 103 Cb 0.12 1.69 -0.09 0.00 0.10 0.00 0.00 66.02 67.85 2d9f s SER 103 CO 0.53 -0.14 1.29 -2.16 0.98 0.00 0.00 173.24 173.74 2d9f s PRO 104 N 2.82 4.40 0.40 4.02 0.04 -1.26 -5.12 135.00 140.29 2d9f s PRO 104 Ca 0.04 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 2d9f s PRO 104 Cb -0.11 -3.19 -0.08 0.00 0.04 0.00 0.00 34.50 31.16 2d9f s PRO 104 CO -0.15 -0.22 1.22 -0.47 0.04 0.00 0.00 177.00 177.41 2d9f s TYR 105 N -0.05 2.98 -0.06 0.56 6.14 -1.21 -4.67 117.35 121.04 2d9f s TYR 105 Ca 0.55 1.50 -0.07 0.00 0.64 0.00 0.00 57.07 59.70 2d9f s TYR 105 Cb -0.36 -3.50 0.02 0.00 0.42 0.00 0.00 41.96 38.54 2d9f s TYR 105 CO 0.39 -1.60 0.19 0.96 0.64 0.00 0.00 175.55 176.14 2d9f s ILE 106 N -1.35 0.01 0.44 3.14 -5.25 -1.25 -4.86 121.20 112.09 2d9f s ILE 106 Ca 0.57 -0.12 -0.23 0.00 -0.99 0.00 0.00 60.65 59.87 2d9f s ILE 106 Cb -0.34 -0.31 -0.08 0.00 2.95 0.00 0.00 42.46 44.69 2d9f s ILE 106 CO 0.43 -0.07 1.17 -2.16 -1.79 0.00 0.00 174.94 172.52 2d9f s PRO 107 N -0.18 3.83 0.63 0.37 0.04 -1.26 -2.29 135.00 136.14 2d9f s PRO 107 Ca -0.03 1.80 -0.16 0.00 0.04 0.00 0.00 61.00 62.65 2d9f s PRO 107 Cb -0.02 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 2d9f s PRO 107 CO 0.01 -0.50 1.11 -1.25 0.04 0.00 0.00 177.00 176.41 2d9f s PRO 108 N -2.60 2.93 -1.24 0.56 0.04 -1.26 -3.15 135.00 130.29 2d9f s PRO 108 Ca 0.62 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2d9f s PRO 108 Cb -0.29 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2d9f s PRO 108 CO 0.36 -1.15 0.00 0.72 0.04 0.00 0.00 177.00 176.96 2d9f n HIS 109 N -2.16 -0.95 -3.68 0.56 8.25 -1.26 -4.91 115.22 111.07 2d9f n HIS 109 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 2d9f n HIS 109 Cb 0.52 -2.74 -0.11 0.00 1.12 0.00 0.00 29.99 28.78 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 -2.42 3.21 1.00 -1.41 0.00 -1.19 -4.75 121.76 116.20 2d9f s ALA 110 Ca 0.00 -2.27 -0.14 0.00 0.00 0.00 0.00 51.96 49.55 2d9f s ALA 110 Cb 0.00 -2.53 0.06 0.00 0.00 0.00 0.00 23.12 20.65 2d9f s ALA 110 CO 0.00 -1.68 0.32 0.00 0.00 0.00 0.00 175.76 174.39 2d9f n ALA 111 N 4.79 -3.00 -3.65 0.00 0.00 -1.26 -3.87 120.51 113.51 2d9f n ALA 111 Ca -0.08 -0.80 -0.12 0.00 0.00 0.00 0.00 53.44 52.44 2d9f n ALA 111 Cb 0.42 -1.73 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.27 0.45 -0.15 0.00 1.43 -1.23 -3.79 118.68 114.12 2d9f s LEU 112 Ca 0.57 0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 53.95 2d9f s LEU 112 Cb -0.19 0.79 -0.01 0.00 0.03 0.00 0.00 46.19 46.81 2d9f s LEU 112 CO 0.67 -0.16 0.88 0.00 0.23 0.00 0.00 176.35 177.97 2d9f s LEU 114 N 2.05 1.56 -0.31 0.00 1.43 -0.88 -2.45 118.68 120.08 2d9f s LEU 114 Ca 0.41 -0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.17 2d9f s LEU 114 Cb -0.17 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.30 2d9f s LEU 114 CO 0.14 0.01 0.10 -0.70 0.23 0.00 0.00 176.35 176.13 2d9f s GLU 115 N 0.78 2.98 -0.06 1.70 2.12 -1.26 -0.06 118.70 124.90 2d9f s GLU 115 Ca -0.13 -0.94 -0.20 0.00 0.36 0.00 0.00 54.97 54.06 2d9f s GLU 115 Cb -0.15 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 2d9f s GLU 115 CO 0.02 -0.51 0.58 0.08 -0.54 0.00 0.00 175.26 174.89 2d9f s VAL 116 N 1.49 5.05 -0.31 3.70 1.01 0.15 -3.99 120.40 127.50 2d9f s VAL 116 Ca 0.02 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.19 2d9f s VAL 116 Cb -0.18 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.38 2d9f s VAL 116 CO 0.03 0.34 0.11 -0.89 0.00 0.00 0.00 175.10 174.69 2d9f s THR 117 N 0.38 0.77 -0.47 3.92 2.01 -1.25 -1.05 115.64 119.95 2d9f s THR 117 Ca 0.31 -1.38 -0.28 0.00 0.31 0.00 0.00 61.69 60.65 2d9f s THR 117 Cb -0.17 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.75 2d9f s THR 117 CO 0.15 -0.70 1.62 -0.22 -0.69 0.00 0.00 174.62 174.78 2d9f s LEU 118 N 1.61 3.45 -0.10 4.42 1.98 -1.21 -2.74 118.68 126.08 2d9f s LEU 118 Ca 0.10 0.71 -0.05 0.00 -2.89 0.00 0.00 54.13 52.00 2d9f s LEU 118 Cb -0.18 -3.18 -0.02 0.00 0.66 0.00 0.00 46.19 43.48 2d9f s LEU 118 CO -0.25 -1.80 -0.10 0.11 -1.89 0.00 0.00 176.35 172.42 2d9f h LYS 119 N 12.37 0.00 -2.63 1.98 1.79 -1.86 -0.50 116.57 127.71 2d9f h LYS 119 Ca -0.29 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.08 2d9f h LYS 119 Cb 1.13 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.57 2d9f h LYS 119 CO 1.12 0.00 -0.14 0.95 -1.08 0.00 0.00 179.45 180.31 2d9f s THR 120 N -1.81 0.02 -0.15 -0.16 -4.23 -1.24 -4.50 115.64 103.57 2d9f s THR 120 Ca -0.09 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.29 2d9f s THR 120 Cb 0.01 -0.70 0.02 0.00 1.34 0.00 0.00 72.50 73.17 2d9f s THR 120 CO 0.13 -0.08 -0.19 0.00 -0.54 0.00 0.00 174.62 173.94 2d9f s ALA 121 N -0.49 2.12 0.25 3.99 0.00 -1.26 -2.67 121.76 123.71 2d9f s ALA 121 Ca -0.06 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 2d9f s ALA 121 Cb -0.03 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 2d9f s ALA 121 CO 0.03 -0.23 0.30 0.14 0.00 0.00 0.00 175.76 175.99 2d9f s VAL 122 N 1.17 0.00 -0.13 0.00 -7.23 -0.41 -4.99 120.40 108.81 2d9f s VAL 122 Ca 0.00 -1.79 0.19 0.00 -1.81 0.00 0.00 61.98 58.58 2d9f s VAL 122 Cb -0.14 -2.45 -0.19 0.00 0.56 0.00 0.00 36.38 34.16 2d9f s VAL 122 CO -0.08 0.00 0.62 -0.67 -0.31 0.00 0.00 175.10 174.66 2d9f n ASP 123 N -0.67 0.47 -4.81 4.85 2.03 -1.26 0.13 116.55 117.29 2d9f n ASP 123 Ca 0.02 0.20 -0.35 0.00 0.52 0.00 0.00 54.79 55.17 2d9f n ASP 123 Cb 0.64 0.85 -0.06 0.00 -0.72 0.00 0.00 41.12 41.82 2d9f n ASP 123 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2d9f s ARG 124 N -3.07 4.32 0.43 -0.67 3.00 -1.26 -4.57 118.95 117.13 2d9f s ARG 124 Ca -0.05 1.03 -0.24 0.00 0.00 0.00 0.00 55.73 56.46 2d9f s ARG 124 Cb 0.10 -2.69 -0.08 0.00 0.00 0.00 0.00 34.95 32.28 2d9f s ARG 124 CO 0.84 0.26 1.18 -1.25 0.00 0.00 0.00 175.30 176.33 2d9f s PRO 125 N -2.32 3.91 -0.25 3.54 0.04 -1.26 -4.86 135.00 133.80 2d9f s PRO 125 Ca 0.50 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 63.35 2d9f s PRO 125 Cb -0.15 -2.55 -0.17 0.00 0.04 0.00 0.00 34.50 31.66 2d9f s PRO 125 CO 0.20 -0.44 -0.19 -0.25 0.04 0.00 0.00 177.00 176.36 2d9f n ASP 126 N -0.19 1.99 -4.35 6.66 8.00 -1.26 -4.74 116.55 122.66 2d9f n ASP 126 Ca 0.06 -0.03 -0.46 0.00 0.71 0.00 0.00 54.79 55.07 2d9f n ASP 126 Cb 0.47 -0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 2d9f n ASP 126 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2d9f s LEU 127 N -6.74 6.31 0.35 0.64 2.96 -1.26 -5.04 118.68 115.90 2d9f s LEU 127 Ca -0.34 -3.07 -0.21 0.00 -0.22 0.00 0.00 54.13 50.29 2d9f s LEU 127 Cb 0.10 -2.24 -0.10 0.00 0.50 0.00 0.00 46.19 44.45 2d9f s LEU 127 CO 0.60 -0.50 0.87 -0.70 -1.32 0.00 0.00 176.35 175.30 2d9f s GLU 128 N -0.16 4.28 -0.29 1.98 2.56 -1.26 -5.07 118.70 120.75 2d9f s GLU 128 Ca 0.27 1.04 -0.17 0.00 0.00 0.00 0.00 54.97 56.11 2d9f s GLU 128 Cb -0.09 -2.50 0.14 0.00 2.00 0.00 0.00 34.13 33.69 2d9f s GLU 128 CO -0.08 0.15 0.98 0.00 -0.56 0.00 0.00 175.26 175.76 2d9f s MET 129 N -2.66 0.38 -0.21 4.30 0.23 -1.26 -5.14 119.30 114.94 2d9f s MET 129 Ca 0.54 0.64 -0.19 0.00 -1.03 0.00 0.00 55.69 55.65 2d9f s MET 129 Cb -0.13 0.08 -0.03 0.00 -1.53 0.00 0.00 34.83 33.23 2d9f s MET 129 CO 0.18 -0.08 0.56 -1.12 -2.03 0.00 0.00 175.02 172.54 2d9f s SER 130 N 1.26 6.60 -0.56 -1.18 0.01 -1.26 -5.00 113.70 113.57 2d9f s SER 130 Ca -0.08 0.72 0.07 0.00 1.31 0.00 0.00 55.95 57.96 2d9f s SER 130 Cb -0.04 -2.31 0.29 0.00 0.21 0.00 0.00 66.02 64.17 2d9f s SER 130 CO -0.14 -0.23 0.78 0.61 0.41 0.00 0.00 173.24 174.66 2d9f n GLY 131 N 3.91 4.68 3.62 3.44 0.00 -1.26 -5.07 105.19 114.51 2d9f n GLY 131 Ca -0.03 -2.51 -0.43 0.00 0.00 0.00 0.00 46.02 43.05 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 -2.60 3.64 0.73 1.61 0.04 -1.26 -4.98 135.00 132.18 2d9f s PRO 132 Ca 0.42 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 2d9f s PRO 132 Cb 0.21 -4.08 0.04 0.00 0.04 0.00 0.00 34.50 30.71 2d9f s PRO 132 CO -0.07 -1.49 1.20 0.45 0.04 0.00 0.00 177.00 177.14 2d9f s SER 133 N 4.74 4.19 -0.14 6.66 0.15 -1.26 -5.00 113.70 123.03 2d9f s SER 133 Ca 0.73 2.34 -0.10 0.00 0.70 0.00 0.00 55.95 59.61 2d9f s SER 133 Cb -0.23 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.45 2d9f s SER 133 CO 0.31 -2.26 0.20 -0.55 1.20 0.00 0.00 173.24 172.14 2d9f s SER 134 N -2.07 6.39 0.00 5.45 0.15 -1.26 -5.34 113.70 117.02 2d9f s SER 134 Ca 0.74 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.86 2d9f s SER 134 Cb -0.29 -2.12 0.01 0.00 -1.71 0.00 0.00 66.02 61.91 2d9f s SER 134 CO 0.46 0.25 0.55 0.61 1.20 0.00 0.00 173.24 176.31