#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 -3.56 -3.18 1.61 7.64 -1.26 -5.02 113.62 109.85 2d9f n SER 2 Ca 0.00 0.08 0.05 0.00 1.01 0.00 0.00 58.87 60.00 2d9f n SER 2 Cb 0.00 -0.79 -0.02 0.00 -1.01 0.00 0.00 64.21 62.39 2d9f n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d9f s SER 3 N -1.36 -0.72 0.12 6.43 0.15 -1.26 -5.17 113.70 111.89 2d9f s SER 3 Ca 0.45 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.64 2d9f s SER 3 Cb -0.08 1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 65.82 2d9f s SER 3 CO 0.71 -0.14 0.17 -0.83 1.20 0.00 0.00 173.24 174.35 2d9f s GLY 4 N 2.88 1.86 0.00 9.45 0.00 -1.26 -5.02 107.32 115.22 2d9f s GLY 4 Ca 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2d9f s GLY 4 CO -0.14 -1.06 0.00 1.44 0.00 0.00 0.00 173.10 173.33 2d9f n SER 5 N -0.09 1.85 -4.75 1.64 7.64 -1.26 -5.03 113.62 113.62 2d9f n SER 5 Ca -0.08 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.45 2d9f n SER 5 Cb 0.53 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.65 2d9f n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d9f s SER 6 N -4.46 5.58 -0.48 6.43 0.15 -1.26 -4.73 113.70 114.93 2d9f s SER 6 Ca 0.00 0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.81 2d9f s SER 6 Cb 0.00 -1.63 0.01 0.00 -1.71 0.00 0.00 66.02 62.68 2d9f s SER 6 CO 0.00 0.36 0.52 0.61 1.20 0.00 0.00 173.24 175.94 2d9f n GLY 7 N 1.90 -1.12 2.57 9.45 0.00 -1.26 -4.92 105.19 111.81 2d9f n GLY 7 Ca -0.18 0.64 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 2d9f n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2d9f n GLU 8 N -1.03 2.66 -3.46 1.61 0.00 -1.26 -4.94 120.64 114.22 2d9f n GLU 8 Ca 0.04 -3.25 -0.16 0.00 0.00 0.00 0.00 57.16 53.79 2d9f n GLU 8 Cb 0.44 -2.24 -0.04 0.00 0.00 0.00 0.00 31.44 29.60 2d9f n GLU 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2d9f n GLU 9 N -0.60 0.87 -0.90 3.44 1.02 -1.26 -5.11 120.64 118.10 2d9f n GLU 9 Ca 0.57 -2.07 -0.29 0.00 -0.02 0.00 0.00 57.16 55.35 2d9f n GLU 9 Cb 0.46 0.97 0.01 0.00 -0.02 0.00 0.00 31.44 32.87 2d9f n GLU 9 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2d9f n TRP 10 N -0.59 -2.40 -3.66 -0.32 7.02 -1.26 -4.89 117.44 111.32 2d9f n TRP 10 Ca -0.06 0.29 -0.36 0.00 -1.02 0.00 0.00 57.50 56.35 2d9f n TRP 10 Cb 0.37 -1.23 -0.08 0.00 -2.42 0.00 0.00 31.31 27.95 2d9f n TRP 10 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2d9f s LEU 11 N 4.05 4.19 -0.63 -0.99 0.20 0.68 -4.84 118.68 121.35 2d9f s LEU 11 Ca 0.40 0.26 -0.28 0.00 0.69 0.00 0.00 54.13 55.21 2d9f s LEU 11 Cb -0.34 -2.16 0.02 0.00 -0.43 0.00 0.00 46.19 43.28 2d9f s LEU 11 CO 0.51 0.13 1.31 -1.81 -0.29 0.00 0.00 176.35 176.20 2d9f s ASP 12 N 0.57 6.21 0.15 3.68 1.01 -1.26 -1.46 116.67 125.57 2d9f s ASP 12 Ca 0.10 -0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.35 2d9f s ASP 12 Cb -0.12 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 2d9f s ASP 12 CO 0.01 -1.70 1.35 0.40 0.21 0.00 0.00 175.17 175.44 2d9f h ILE 13 N 6.21 1.45 0.00 0.77 2.04 -1.86 -3.33 117.51 122.79 2d9f h ILE 13 Ca -0.26 -2.53 -0.22 0.00 1.00 0.00 0.00 64.86 62.84 2d9f h ILE 13 Cb 1.07 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 39.54 2d9f h ILE 13 CO 1.22 0.74 -2.08 0.18 0.00 0.00 0.00 178.15 178.21 2d9f n LEU 14 N -3.70 0.00 0.00 1.44 4.77 -1.26 -5.02 117.00 113.24 2d9f n LEU 14 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2d9f n LEU 14 Cb 0.81 0.30 0.00 0.00 -2.33 0.00 0.00 43.42 42.21 2d9f n LEU 14 CO 0.49 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2d9f n GLY 15 N 1.81 3.00 0.29 -0.72 0.00 -1.25 -4.89 105.19 103.42 2d9f n GLY 15 Ca -0.21 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 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 0.34 -0.61 0.00 1.61 2.35 -1.93 -3.47 115.58 113.87 2d9f h ASN 16 Ca 0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2d9f h ASN 16 Cb 0.00 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2d9f h ASN 16 CO 0.00 -0.40 0.00 0.61 -1.65 0.00 0.00 177.43 175.99 2d9f n GLY 17 N -1.38 0.50 0.13 2.83 0.00 -1.26 -5.05 105.19 100.96 2d9f n GLY 17 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.25 -8.62 0.99 -0.00 -1.91 -3.41 115.31 102.10 2d9f h LEU 18 Ca 0.00 0.01 -0.56 0.00 -0.00 0.00 0.00 57.88 57.33 2d9f h LEU 18 Cb 0.00 0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 40.65 2d9f h LEU 18 CO 0.00 -0.08 0.93 -0.22 -0.00 0.00 0.00 178.44 179.07 2d9f s LEU 19 N -6.20 3.56 0.29 1.67 2.96 -1.26 -3.83 118.68 115.87 2d9f s LEU 19 Ca -0.04 0.20 0.09 0.00 -0.22 0.00 0.00 54.13 54.15 2d9f s LEU 19 Cb 0.00 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 2d9f s LEU 19 CO 0.13 -1.38 0.03 -0.13 -1.32 0.00 0.00 176.35 173.68 2d9f s ARG 20 N 4.70 2.28 -0.01 1.98 0.52 -1.00 -2.64 118.95 124.79 2d9f s ARG 20 Ca 0.44 -1.49 0.02 0.00 -0.52 0.00 0.00 55.73 54.18 2d9f s ARG 20 Cb -0.08 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 2d9f s ARG 20 CO 0.27 0.28 -0.07 0.21 0.02 0.00 0.00 175.30 176.01 2d9f s LYS 21 N -3.72 0.60 -0.20 3.54 2.20 -0.54 -2.37 119.74 119.26 2d9f s LYS 21 Ca 0.33 -0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 55.63 2d9f s LYS 21 Cb -0.05 -0.58 0.07 0.00 -1.51 0.00 0.00 37.83 35.76 2d9f s LYS 21 CO 0.20 0.16 0.08 0.21 -0.36 0.00 0.00 175.35 175.65 2d9f s LYS 22 N -0.19 0.24 -0.47 4.03 2.20 -0.45 -0.23 119.74 124.87 2d9f s LYS 22 Ca 0.03 -0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 55.10 2d9f s LYS 22 Cb -0.03 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.45 2d9f s LYS 22 CO -0.00 -0.73 2.08 0.99 -0.36 0.00 0.00 175.35 177.33 2d9f s THR 23 N 2.05 3.22 0.13 3.43 2.01 -1.26 -0.25 115.64 124.97 2d9f s THR 23 Ca 0.03 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.12 2d9f s THR 23 Cb -0.16 -3.45 -0.14 0.00 0.01 0.00 0.00 72.50 68.75 2d9f s THR 23 CO -0.14 -0.40 1.35 -0.07 -0.69 0.00 0.00 174.62 174.68 2d9f h LEU 24 N 16.82 0.72 -6.70 4.42 3.38 0.49 -3.44 115.31 131.00 2d9f h LEU 24 Ca -0.29 -0.49 -0.18 0.00 0.09 0.00 0.00 57.88 57.01 2d9f h LEU 24 Cb 1.21 -0.22 -0.31 0.00 0.09 0.00 0.00 40.66 41.44 2d9f h LEU 24 CO 1.13 1.27 -0.49 -0.69 0.09 0.00 0.00 178.44 179.74 2d9f s VAL 25 N -3.63 -0.54 0.54 1.22 1.01 0.79 -4.93 120.40 114.85 2d9f s VAL 25 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 2d9f s VAL 25 Cb 0.09 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.69 2d9f s VAL 25 CO 0.88 -0.08 1.13 -2.16 0.00 0.00 0.00 175.10 174.87 2d9f s PRO 26 N 2.50 3.39 0.56 2.72 0.04 -1.26 0.70 135.00 143.65 2d9f s PRO 26 Ca 0.08 1.62 0.06 0.00 0.04 0.00 0.00 61.00 62.80 2d9f s PRO 26 Cb -0.15 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.43 2d9f s PRO 26 CO -0.14 -0.82 0.77 0.20 0.04 0.00 0.00 177.00 177.05 2d9f s GLY 27 N -1.74 1.81 0.91 0.56 0.00 -1.26 -4.77 107.32 102.83 2d9f s GLY 27 Ca 0.72 -1.80 -0.12 0.00 0.00 0.00 0.00 44.72 43.52 2d9f s GLY 27 CO 0.27 -1.42 1.09 2.56 0.00 0.00 0.00 173.10 175.61 2d9f s PRO 28 N -4.70 1.12 0.00 2.90 0.04 -1.26 -4.92 135.00 128.18 2d9f s PRO 28 Ca 0.60 0.77 0.14 0.00 0.04 0.00 0.00 61.00 62.56 2d9f s PRO 28 Cb -0.08 -1.80 0.68 0.00 0.04 0.00 0.00 34.50 33.35 2d9f s PRO 28 CO 0.38 -2.33 1.43 -0.35 0.04 0.00 0.00 177.00 176.18 2d9f n PRO 29 N -3.93 0.11 -0.08 0.56 -0.04 -1.26 -3.32 135.00 127.04 2d9f n PRO 29 Ca 0.07 0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2d9f n PRO 29 Cb 0.56 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.15 0.55 0.00 -1.99 -3.47 103.07 99.45 2d9f h GLY 30 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 2d9f h GLY 30 CO 0.00 0.00 -0.23 1.44 0.00 0.00 0.00 176.54 177.75 2d9f n SER 31 N -4.60 -2.30 -3.62 0.19 7.64 -1.21 -5.06 113.62 104.66 2d9f n SER 31 Ca -0.14 -0.29 -0.08 0.00 1.01 0.00 0.00 58.87 59.37 2d9f n SER 31 Cb 0.42 -1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 62.40 2d9f n SER 31 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d9f s SER 32 N -2.36 -0.34 0.17 6.43 1.04 -1.26 -4.89 113.70 112.50 2d9f s SER 32 Ca 0.66 0.56 -0.23 0.00 0.48 0.00 0.00 55.95 57.41 2d9f s SER 32 Cb -0.22 0.53 -0.14 0.00 0.10 0.00 0.00 66.02 66.29 2d9f s SER 32 CO 0.64 -0.19 0.42 0.54 0.98 0.00 0.00 173.24 175.64 2d9f n ARG 33 N 1.54 0.00 -0.26 4.02 1.74 -1.24 -3.81 116.66 118.64 2d9f n ARG 33 Ca -0.11 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.90 2d9f n ARG 33 Cb 0.57 -0.84 0.06 0.00 -1.02 0.00 0.00 32.46 31.23 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 0.85 -1.56 -4.11 5.56 -0.04 -1.26 -4.88 135.00 129.56 2d9f n PRO 34 Ca 0.15 -0.44 -0.29 0.00 -0.04 0.00 0.00 63.50 62.88 2d9f n PRO 34 Cb 0.21 -0.41 -0.07 0.00 -0.04 0.00 0.00 33.50 33.20 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 -1.49 4.18 -0.27 0.52 0.11 -1.26 -4.96 120.40 117.23 2d9f s VAL 35 Ca 0.18 -1.02 -0.28 0.00 -2.93 0.00 0.00 61.98 57.92 2d9f s VAL 35 Cb -0.02 -3.04 0.01 0.00 -1.53 0.00 0.00 36.38 31.80 2d9f s VAL 35 CO 0.14 0.04 1.02 -0.75 -3.33 0.00 0.00 175.10 172.22 2d9f s LYS 36 N -2.57 4.17 0.00 1.54 2.20 -1.26 -3.60 119.74 120.21 2d9f s LYS 36 Ca 0.28 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 2d9f s LYS 36 Cb -0.11 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 2d9f s LYS 36 CO 0.20 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 2d9f n GLY 37 N 3.60 1.55 3.67 5.54 0.00 0.17 -4.95 105.19 114.77 2d9f n GLY 37 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.08 2.07 -0.48 1.61 -0.21 -1.24 -4.85 119.66 116.47 2d9f s GLN 38 Ca 0.00 -2.27 -0.24 0.00 0.02 0.00 0.00 55.36 52.86 2d9f s GLN 38 Cb 0.00 -1.38 0.03 0.00 1.00 0.00 0.00 33.01 32.66 2d9f s GLN 38 CO 0.00 -0.30 0.89 0.08 -2.12 0.00 0.00 175.29 173.85 2d9f s VAL 39 N -2.91 4.49 -0.17 1.09 1.01 0.35 -2.22 120.40 122.04 2d9f s VAL 39 Ca 0.17 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.64 2d9f s VAL 39 Cb 0.04 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2d9f s VAL 39 CO 0.09 -0.89 -0.03 0.68 0.00 0.00 0.00 175.10 174.95 2d9f s VAL 40 N 3.69 3.86 -0.17 2.92 -7.23 -0.71 -1.02 120.40 121.74 2d9f s VAL 40 Ca 0.33 -0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 60.13 2d9f s VAL 40 Cb -0.11 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 34.13 2d9f s VAL 40 CO 0.23 0.48 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.48 2d9f s THR 41 N 0.52 2.76 0.12 5.32 2.01 -1.07 -2.48 115.64 122.81 2d9f s THR 41 Ca -0.03 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 2d9f s THR 41 Cb -0.14 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 2d9f s THR 41 CO 0.03 0.50 0.13 0.68 -0.69 0.00 0.00 174.62 175.27 2d9f s VAL 42 N 0.94 0.12 -0.31 3.82 -7.23 -0.27 -2.66 120.40 114.80 2d9f s VAL 42 Ca -0.03 -1.62 -0.09 0.00 -1.81 0.00 0.00 61.98 58.44 2d9f s VAL 42 Cb -0.15 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.02 2d9f s VAL 42 CO -0.02 -0.54 0.13 -2.28 -0.31 0.00 0.00 175.10 172.09 2d9f s HIS 43 N -3.97 3.17 0.24 2.82 2.46 -1.10 -1.80 115.29 117.11 2d9f s HIS 43 Ca 0.16 -0.73 0.07 0.00 0.47 0.00 0.00 55.06 55.03 2d9f s HIS 43 Cb 0.06 -2.33 -0.05 0.00 -0.13 0.00 0.00 32.58 30.13 2d9f s HIS 43 CO -0.03 -0.51 -0.11 -0.48 -2.47 0.00 0.00 174.74 171.14 2d9f s LEU 44 N 1.57 2.52 -0.18 8.88 -0.00 -1.01 -3.10 118.68 127.37 2d9f s LEU 44 Ca 0.04 -1.09 -0.05 0.00 -0.00 0.00 0.00 54.13 53.03 2d9f s LEU 44 Cb -0.17 -0.67 0.09 0.00 -0.00 0.00 0.00 46.19 45.43 2d9f s LEU 44 CO 0.05 -0.23 0.33 -1.10 -0.00 0.00 0.00 176.35 175.39 2d9f s GLN 45 N -3.67 0.24 -0.22 1.48 -0.21 -1.26 -1.79 119.66 114.23 2d9f s GLN 45 Ca 0.26 0.73 -0.24 0.00 0.02 0.00 0.00 55.36 56.13 2d9f s GLN 45 Cb 0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 33.01 33.86 2d9f s GLN 45 CO 0.09 -0.39 0.77 0.99 -2.12 0.00 0.00 175.29 174.64 2d9f s THR 46 N 2.49 4.90 -0.02 -0.19 2.01 0.12 -4.21 115.64 120.73 2d9f s THR 46 Ca 0.03 1.46 -0.01 0.00 0.31 0.00 0.00 61.69 63.48 2d9f s THR 46 Cb -0.13 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.33 2d9f s THR 46 CO -0.12 -0.01 0.05 -0.44 -0.69 0.00 0.00 174.62 173.42 2d9f s SER 47 N 1.30 -0.02 0.80 3.53 0.01 -1.18 0.32 113.70 118.46 2d9f s SER 47 Ca 0.33 0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.55 2d9f s SER 47 Cb -0.16 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.14 2d9f s SER 47 CO 0.09 -0.07 0.67 0.18 0.41 0.00 0.00 173.24 174.52 2d9f n LEU 48 N 3.56 1.49 0.23 2.44 7.99 -0.92 -1.95 117.00 129.85 2d9f n LEU 48 Ca -0.19 0.52 0.14 0.00 -0.01 0.00 0.00 56.01 56.47 2d9f n LEU 48 Cb 0.56 -1.29 0.78 0.00 -0.11 0.00 0.00 43.42 43.36 2d9f n LEU 48 CO 0.23 -2.88 1.12 -0.08 -1.51 0.00 0.00 177.39 174.27 2d9f h GLU 49 N -0.80 0.00 0.03 3.23 4.81 -1.93 -2.21 114.58 117.71 2d9f h GLU 49 Ca -0.45 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 2d9f h GLU 49 Cb 1.32 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.71 2d9f h GLU 49 CO 0.41 0.00 -0.47 -2.95 -0.73 0.00 0.00 179.01 175.27 2d9f h ASN 50 N 0.00 0.36 0.00 1.04 -1.07 -1.92 -3.48 115.58 110.50 2d9f h ASN 50 Ca 0.05 -0.83 0.00 0.00 0.07 0.00 0.00 56.30 55.58 2d9f h ASN 50 Cb 0.23 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.37 2d9f h ASN 50 CO -0.00 1.15 0.00 0.61 0.07 0.00 0.00 177.43 179.26 2d9f n GLY 51 N 1.25 0.02 2.72 9.14 0.00 -0.83 -5.13 105.19 112.36 2d9f n GLY 51 Ca -0.11 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 1.34 -0.30 2.61 2.01 -1.25 -4.90 115.64 115.14 2d9f s THR 52 Ca 0.00 -2.41 -0.36 0.00 0.31 0.00 0.00 61.69 59.23 2d9f s THR 52 Cb 0.00 -1.95 -0.12 0.00 0.01 0.00 0.00 72.50 70.44 2d9f s THR 52 CO 0.00 -0.87 2.05 0.54 -0.69 0.00 0.00 174.62 175.66 2d9f n ARG 53 N 3.70 1.22 0.03 4.92 1.74 -1.26 -2.17 116.66 124.84 2d9f n ARG 53 Ca 0.07 0.38 -0.04 0.00 -0.77 0.00 0.00 57.85 57.50 2d9f n ARG 53 Cb 0.35 -2.39 -0.10 0.00 -1.02 0.00 0.00 32.46 29.31 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 6.48 0.81 -1.44 1.55 2.07 -0.49 -3.48 116.25 121.74 2d9f h VAL 54 Ca -0.34 -2.45 0.11 0.00 0.82 0.00 0.00 66.70 64.85 2d9f h VAL 54 Cb 1.32 2.31 -0.26 0.00 -1.52 0.00 0.00 31.29 33.14 2d9f h VAL 54 CO 1.00 0.46 0.62 0.00 0.02 0.00 0.00 177.57 179.67 2d9f s GLN 55 N -2.78 0.43 -0.02 1.57 -2.07 -0.93 -4.83 119.66 111.04 2d9f s GLN 55 Ca -0.02 0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.75 2d9f s GLN 55 Cb 0.08 0.21 0.02 0.00 -1.09 0.00 0.00 33.01 32.23 2d9f s GLN 55 CO 0.81 -0.11 0.00 -1.83 -1.32 0.00 0.00 175.29 172.84 2d9f s GLU 56 N -0.63 0.15 -0.22 9.60 -1.05 -1.26 0.13 118.70 125.42 2d9f s GLU 56 Ca 0.02 0.05 -0.02 0.00 -0.15 0.00 0.00 54.97 54.87 2d9f s GLU 56 Cb -0.02 -0.29 0.07 0.00 -0.44 0.00 0.00 34.13 33.45 2d9f s GLU 56 CO -0.04 -0.08 0.05 -2.00 0.95 0.00 0.00 175.26 174.15 2d9f s GLU 57 N 0.62 0.66 0.23 -4.83 2.12 -0.74 -5.01 118.70 111.75 2d9f s GLU 57 Ca -0.06 -0.56 -0.00 0.00 0.36 0.00 0.00 54.97 54.71 2d9f s GLU 57 Cb -0.08 -2.04 0.23 0.00 0.26 0.00 0.00 34.13 32.50 2d9f s GLU 57 CO -0.01 -0.73 1.59 -1.00 -0.54 0.00 0.00 175.26 174.57 2d9f h PRO 58 N 8.22 0.51 -2.52 4.30 0.13 -1.88 -2.68 132.00 138.08 2d9f h PRO 58 Ca -0.16 -0.27 -0.60 0.00 -0.87 0.00 0.00 66.00 64.10 2d9f h PRO 58 Cb 1.09 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.82 2d9f h PRO 58 CO 0.37 0.85 -0.66 -1.91 -0.23 0.00 0.00 178.00 176.42 2d9f n GLU 59 N -4.01 1.96 -3.15 0.86 2.13 -1.26 -4.14 120.64 113.02 2d9f n GLU 59 Ca -0.02 -4.38 -0.40 0.00 0.66 0.00 0.00 57.16 53.02 2d9f n GLU 59 Cb 0.53 -2.14 -0.07 0.00 0.27 0.00 0.00 31.44 30.03 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 -1.82 4.06 0.10 4.31 1.98 -0.74 -4.95 118.68 121.61 2d9f s LEU 60 Ca 0.33 0.65 0.10 0.00 -2.89 0.00 0.00 54.13 52.33 2d9f s LEU 60 Cb 0.07 -2.79 -0.04 0.00 0.66 0.00 0.00 46.19 44.10 2d9f s LEU 60 CO -0.09 -0.34 -0.25 0.54 -1.89 0.00 0.00 176.35 174.32 2d9f s VAL 61 N 2.40 2.31 0.13 1.68 0.11 -1.26 -1.12 120.40 124.66 2d9f s VAL 61 Ca 0.25 -1.58 -0.26 0.00 -2.93 0.00 0.00 61.98 57.46 2d9f s VAL 61 Cb -0.16 -1.99 0.07 0.00 -1.53 0.00 0.00 36.38 32.78 2d9f s VAL 61 CO 0.09 0.20 1.01 0.72 -3.33 0.00 0.00 175.10 173.78 2d9f s PHE 62 N -0.98 -0.12 -0.47 1.54 -0.12 -1.04 -5.01 117.98 111.79 2d9f s PHE 62 Ca 0.14 -0.16 -0.15 0.00 -0.05 0.00 0.00 56.93 56.70 2d9f s PHE 62 Cb -0.10 0.63 0.08 0.00 -0.63 0.00 0.00 43.02 42.99 2d9f s PHE 62 CO 0.05 -0.75 0.39 0.99 -0.05 0.00 0.00 175.22 175.84 2d9f s THR 63 N -3.17 5.12 0.15 -4.49 2.01 -1.26 -1.74 115.64 112.26 2d9f s THR 63 Ca 0.13 -1.14 -0.34 0.00 0.31 0.00 0.00 61.69 60.65 2d9f s THR 63 Cb -0.01 -4.08 -0.16 0.00 0.01 0.00 0.00 72.50 68.27 2d9f s THR 63 CO 0.02 -0.59 1.31 -0.11 -0.69 0.00 0.00 174.62 174.55 2d9f n LEU 64 N 5.17 1.96 0.00 4.42 7.94 -0.94 -1.39 117.00 134.16 2d9f n LEU 64 Ca -0.12 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 2d9f n LEU 64 Cb 0.43 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2d9f n LEU 64 CO 0.47 -0.99 0.00 0.61 -1.11 0.00 0.00 177.39 176.37 2d9f n GLY 65 N 2.37 3.09 1.22 -3.96 0.00 -1.26 -0.66 105.19 106.00 2d9f n GLY 65 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 3.56 -3.65 1.61 8.00 -0.49 -4.92 116.55 120.67 2d9f n ASP 66 Ca 0.00 -2.22 -0.28 0.00 0.71 0.00 0.00 54.79 53.00 2d9f n ASP 66 Cb 0.00 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.58 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d9f n ASP 68 N -1.78 0.00 -4.18 0.00 8.00 -1.26 -4.74 116.55 112.58 2d9f n ASP 68 Ca 0.08 0.12 -0.23 0.00 0.71 0.00 0.00 54.79 55.47 2d9f n ASP 68 Cb 0.38 -0.30 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 2d9f n ASP 68 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2d9f s VAL 69 N -2.59 0.69 0.50 2.53 -7.23 -1.26 -5.03 120.40 108.00 2d9f s VAL 69 Ca 0.12 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 2d9f s VAL 69 Cb 0.09 -2.50 -0.14 0.00 0.56 0.00 0.00 36.38 34.39 2d9f s VAL 69 CO 0.20 0.00 0.06 -0.38 -0.31 0.00 0.00 175.10 174.67 2d9f n ILE 70 N -0.78 0.58 0.44 -0.62 2.08 -1.26 -4.62 119.36 115.18 2d9f n ILE 70 Ca -0.04 -0.50 0.13 0.00 0.56 0.00 0.00 62.75 62.90 2d9f n ILE 70 Cb 0.65 -0.15 0.48 0.00 -0.75 0.00 0.00 39.64 39.88 2d9f n ILE 70 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 2d9f h GLN 71 N 0.12 0.00 0.00 0.38 4.20 -1.72 -1.37 115.11 116.73 2d9f h GLN 71 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2d9f h GLN 71 Cb 1.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.22 2d9f h GLN 71 CO 0.44 0.00 -0.69 0.00 -0.67 0.00 0.00 178.83 177.91 2d9f n ALA 72 N -1.81 3.88 -0.11 3.87 0.00 -1.26 -3.22 120.51 121.87 2d9f n ALA 72 Ca 0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 53.44 52.87 2d9f n ALA 72 Cb 0.29 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.95 -4.16 117.00 121.11 2d9f n LEU 73 Ca 0.05 -0.03 -0.03 0.00 -1.11 0.00 0.00 56.01 54.88 2d9f n LEU 73 Cb 0.34 -0.74 0.12 0.00 0.53 0.00 0.00 43.42 43.67 2d9f n LEU 73 CO 0.38 0.79 0.44 -0.78 -1.11 0.00 0.00 177.39 177.11 2d9f h ASP 74 N -0.17 0.07 0.22 1.96 3.58 -1.45 0.88 116.42 121.52 2d9f h ASP 74 Ca -0.51 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 56.90 2d9f h ASP 74 Cb 1.70 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.73 2d9f h ASP 74 CO -0.13 0.72 -0.02 0.18 -2.88 0.00 0.00 179.24 177.11 2d9f n LEU 75 N -3.77 0.21 -0.02 2.28 4.32 -1.20 -3.58 117.00 115.25 2d9f n LEU 75 Ca -0.01 0.04 -0.02 0.00 -0.02 0.00 0.00 56.01 56.00 2d9f n LEU 75 Cb 0.66 -0.11 -0.03 0.00 -1.62 0.00 0.00 43.42 42.32 2d9f n LEU 75 CO 0.43 0.04 -0.62 -1.54 -1.22 0.00 0.00 177.39 174.48 2d9f n SER 76 N -0.98 4.05 0.03 -1.43 3.41 -1.06 -4.61 113.62 113.03 2d9f n SER 76 Ca 0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.67 2d9f n SER 76 Cb 0.20 0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.16 0.00 -3.33 2.07 -0.88 0.14 116.25 114.40 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 1.16 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 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 -0.13 1.57 -0.04 -1.26 -1.81 135.00 128.38 2d9f n PRO 78 Ca -0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 2d9f n PRO 78 Cb 0.36 -1.38 0.12 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.88 2.65 -4.32 1.53 4.77 0.44 -4.85 117.00 116.33 2d9f n LEU 79 Ca 0.09 -1.72 -0.20 0.00 -0.03 0.00 0.00 56.01 54.15 2d9f n LEU 79 Cb 0.04 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 2d9f n LEU 79 CO 0.07 0.63 -0.46 0.00 -1.33 0.00 0.00 177.39 176.30 2d9f s MET 80 N -0.98 1.25 -0.10 3.23 0.23 -0.75 -5.06 119.30 117.12 2d9f s MET 80 Ca 0.20 -1.45 -0.12 0.00 -1.03 0.00 0.00 55.69 53.30 2d9f s MET 80 Cb 0.11 -1.18 -0.05 0.00 -1.53 0.00 0.00 34.83 32.19 2d9f s MET 80 CO 0.15 0.22 0.27 -0.51 -2.03 0.00 0.00 175.02 173.13 2d9f s ASP 81 N -2.88 6.52 -0.13 -1.18 1.01 -1.26 -3.71 116.67 115.04 2d9f s ASP 81 Ca 0.17 0.61 -0.36 0.00 0.71 0.00 0.00 52.55 53.68 2d9f s ASP 81 Cb -0.04 -2.16 -0.13 0.00 1.01 0.00 0.00 42.92 41.59 2d9f s ASP 81 CO 0.06 0.26 1.78 0.55 0.21 0.00 0.00 175.17 178.03 2d9f n VAL 82 N 2.60 0.41 0.00 -1.27 3.14 -1.25 -0.92 118.33 121.04 2d9f n VAL 82 Ca -0.15 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 2d9f n VAL 82 Cb 0.53 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.74 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 4.16 0.52 3.56 7.55 0.00 -0.54 -4.47 105.19 115.97 2d9f n GLY 83 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.72 3.16 -0.18 1.61 -6.30 -0.10 -4.44 118.70 111.72 2d9f s GLU 84 Ca 0.00 -0.51 -0.18 0.00 -2.50 0.00 0.00 54.97 51.78 2d9f s GLU 84 Cb 0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 34.13 31.34 2d9f s GLU 84 CO 0.00 0.50 0.47 0.99 0.02 0.00 0.00 175.26 177.24 2d9f s THR 85 N -0.35 5.16 0.01 -1.70 2.01 0.22 -3.73 115.64 117.25 2d9f s THR 85 Ca 0.06 0.88 0.02 0.00 0.31 0.00 0.00 61.69 62.95 2d9f s THR 85 Cb -0.12 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2d9f s THR 85 CO 0.02 0.24 -0.06 0.00 -0.69 0.00 0.00 174.62 174.13 2d9f s ALA 86 N 1.26 0.50 0.21 7.40 0.00 -0.36 0.11 121.76 130.88 2d9f s ALA 86 Ca 0.23 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.85 2d9f s ALA 86 Cb -0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 2d9f s ALA 86 CO 0.09 0.08 0.28 1.41 0.00 0.00 0.00 175.76 177.62 2d9f s MET 87 N -0.54 3.27 -0.02 0.00 -2.45 0.65 -0.60 119.30 119.61 2d9f s MET 87 Ca -0.01 -0.79 -0.00 0.00 -1.25 0.00 0.00 55.69 53.64 2d9f s MET 87 Cb -0.04 -2.82 0.03 0.00 1.25 0.00 0.00 34.83 33.25 2d9f s MET 87 CO -0.00 0.46 0.03 0.14 1.05 0.00 0.00 175.02 176.70 2d9f s VAL 88 N -1.91 -0.06 -0.31 10.11 -7.23 0.44 -1.35 120.40 120.09 2d9f s VAL 88 Ca 0.34 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 2d9f s VAL 88 Cb -0.09 -0.08 0.10 0.00 0.56 0.00 0.00 36.38 36.86 2d9f s VAL 88 CO 0.27 0.09 0.07 0.42 -0.31 0.00 0.00 175.10 175.65 2d9f s THR 89 N 1.08 1.26 0.28 5.32 -4.23 -1.00 -1.99 115.64 116.36 2d9f s THR 89 Ca -0.09 -1.60 0.11 0.00 -1.18 0.00 0.00 61.69 58.93 2d9f s THR 89 Cb -0.13 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 2d9f s THR 89 CO -0.03 -0.61 -0.18 0.00 -0.54 0.00 0.00 174.62 173.26 2d9f s ALA 90 N 1.43 2.70 0.58 3.99 0.00 -1.25 -2.36 121.76 126.84 2d9f s ALA 90 Ca 0.09 -1.88 -0.18 0.00 0.00 0.00 0.00 51.96 49.98 2d9f s ALA 90 Cb -0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2d9f s ALA 90 CO -0.19 0.23 1.13 0.34 0.00 0.00 0.00 175.76 177.27 2d9f s ASP 91 N -3.50 5.55 0.46 0.00 2.15 -1.26 -3.66 116.67 116.40 2d9f s ASP 91 Ca 0.30 2.13 0.32 0.00 0.43 0.00 0.00 52.55 55.73 2d9f s ASP 91 Cb -0.04 -2.57 1.45 0.00 -0.30 0.00 0.00 42.92 41.46 2d9f s ASP 91 CO 0.14 -1.33 1.64 0.77 -0.17 0.00 0.00 175.17 176.22 2d9f h SER 92 N 0.88 0.21 -0.92 -0.34 4.64 -1.87 0.55 113.55 116.69 2d9f h SER 92 Ca -0.49 0.11 0.22 0.00 -0.47 0.00 0.00 61.79 61.16 2d9f h SER 92 Cb 1.26 0.10 -0.12 0.00 -0.31 0.00 0.00 62.40 63.32 2d9f h SER 92 CO 0.56 -0.13 0.46 0.07 -0.87 0.00 0.00 176.83 176.92 2d9f h LYS 93 N 0.09 0.47 0.00 4.77 2.10 -1.89 0.35 116.57 122.46 2d9f h LYS 93 Ca 0.81 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 59.35 2d9f h LYS 93 Cb 2.63 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 33.84 2d9f h LYS 93 CO -0.34 0.31 -0.82 1.88 -2.00 0.00 0.00 179.45 178.48 2d9f h TYR 94 N 0.48 0.00 0.03 0.07 0.05 -0.25 -3.28 116.97 114.07 2d9f h TYR 94 Ca 0.58 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 -0.09 0.30 -0.01 0.00 -1.05 0.00 0.00 178.16 177.30 2d9f n TYR 96 N -2.27 0.00 0.00 0.00 4.02 0.59 -4.61 117.16 114.89 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 1.85 3.37 0.00 2.72 0.00 0.73 -4.70 105.19 109.16 2d9f n GLY 97 Ca 0.00 -1.88 0.08 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.32 0.43 -0.07 1.61 -0.04 -1.26 -2.37 135.00 131.98 2d9f n PRO 98 Ca 0.00 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 2d9f n PRO 98 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.06 0.67 0.00 0.54 10.64 -1.26 -4.50 117.38 122.41 2d9f n GLN 99 Ca 0.11 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 2d9f n GLN 99 Cb 0.07 -1.61 0.00 0.00 -0.86 0.00 0.00 30.24 27.84 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 1.75 0.72 3.84 2.61 0.00 -1.00 -4.69 105.19 108.43 2d9f n GLY 100 Ca -0.29 -2.24 -0.27 0.00 0.00 0.00 0.00 46.02 43.22 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 0.00 4.51 -0.05 1.61 0.15 -1.10 -4.70 113.70 114.12 2d9f s SER 101 Ca 0.00 -1.27 -0.06 0.00 0.70 0.00 0.00 55.95 55.32 2d9f s SER 101 Cb 0.00 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.48 2d9f s SER 101 CO 0.00 -0.91 -0.12 0.54 1.20 0.00 0.00 173.24 173.95 2d9f n ARG 102 N -1.54 0.18 -3.34 5.44 5.12 -1.26 -4.10 116.66 117.15 2d9f n ARG 102 Ca -0.05 0.07 -0.07 0.00 -1.93 0.00 0.00 57.85 55.87 2d9f n ARG 102 Cb 0.65 -0.76 -0.07 0.00 -1.16 0.00 0.00 32.46 31.12 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 -4.87 0.02 0.59 0.55 1.04 -1.26 -2.78 113.70 106.97 2d9f s SER 103 Ca -0.10 0.35 -0.18 0.00 0.48 0.00 0.00 55.95 56.51 2d9f s SER 103 Cb 0.01 1.26 -0.04 0.00 0.10 0.00 0.00 66.02 67.35 2d9f s SER 103 CO 0.14 -0.29 1.12 -2.16 0.98 0.00 0.00 173.24 173.03 2d9f s PRO 104 N 2.59 3.15 0.29 4.02 0.04 -1.26 -5.14 135.00 138.69 2d9f s PRO 104 Ca 0.13 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.49 2d9f s PRO 104 Cb -0.15 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 2d9f s PRO 104 CO -0.16 -1.00 0.81 -0.47 0.04 0.00 0.00 177.00 176.22 2d9f s TYR 105 N -1.98 3.55 -0.01 0.56 6.14 -1.12 -4.68 117.35 119.81 2d9f s TYR 105 Ca 0.71 1.47 -0.01 0.00 0.64 0.00 0.00 57.07 59.87 2d9f s TYR 105 Cb -0.23 -2.70 0.00 0.00 0.42 0.00 0.00 41.96 39.46 2d9f s TYR 105 CO 0.32 0.20 0.03 0.96 0.64 0.00 0.00 175.55 177.70 2d9f s ILE 106 N -1.73 0.01 0.45 3.14 -5.25 -1.26 -4.87 121.20 111.69 2d9f s ILE 106 Ca 0.50 -0.08 -0.23 0.00 -0.99 0.00 0.00 60.65 59.84 2d9f s ILE 106 Cb -0.15 -0.08 -0.07 0.00 2.95 0.00 0.00 42.46 45.11 2d9f s ILE 106 CO 0.20 -0.05 1.17 -2.16 -1.79 0.00 0.00 174.94 172.31 2d9f s PRO 107 N -0.12 3.78 0.61 0.37 0.04 -1.26 -2.69 135.00 135.72 2d9f s PRO 107 Ca -0.02 1.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 2d9f s PRO 107 Cb -0.01 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 2d9f s PRO 107 CO -0.00 -0.53 1.12 -1.25 0.04 0.00 0.00 177.00 176.38 2d9f s PRO 108 N -2.66 3.05 -1.11 0.56 0.04 -1.26 -3.21 135.00 130.41 2d9f s PRO 108 Ca 0.63 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2d9f s PRO 108 Cb -0.29 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2d9f s PRO 108 CO 0.35 -1.06 0.00 0.72 0.04 0.00 0.00 177.00 177.05 2d9f n HIS 109 N -1.91 -1.39 -3.85 0.56 8.25 -1.26 -4.92 115.22 110.70 2d9f n HIS 109 Ca 0.11 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.21 2d9f n HIS 109 Cb 0.52 -2.84 -0.13 0.00 1.12 0.00 0.00 29.99 28.65 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 -2.64 2.90 0.99 -1.41 0.00 -1.20 -4.79 121.76 115.61 2d9f s ALA 110 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 2d9f s ALA 110 Cb 0.00 -2.05 0.18 0.00 0.00 0.00 0.00 23.12 21.25 2d9f s ALA 110 CO 0.00 -1.23 1.10 0.00 0.00 0.00 0.00 175.76 175.63 2d9f s ALA 111 N 1.33 0.88 -0.16 0.00 0.00 -1.26 -3.54 121.76 119.01 2d9f s ALA 111 Ca -0.03 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 2d9f s ALA 111 Cb -0.19 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.63 2d9f s ALA 111 CO 0.00 -3.03 0.39 -0.51 0.00 0.00 0.00 175.76 172.62 2d9f s LEU 112 N -6.73 0.07 -0.08 0.00 1.43 -1.24 -3.62 118.68 108.51 2d9f s LEU 112 Ca 0.67 0.84 -0.26 0.00 -1.03 0.00 0.00 54.13 54.35 2d9f s LEU 112 Cb -0.23 1.29 -0.03 0.00 0.03 0.00 0.00 46.19 47.26 2d9f s LEU 112 CO 0.60 -0.18 0.83 0.00 0.23 0.00 0.00 176.35 177.83 2d9f s LEU 114 N 1.26 1.42 -0.43 0.00 1.43 -0.84 -3.08 118.68 118.44 2d9f s LEU 114 Ca 0.42 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 2d9f s LEU 114 Cb -0.18 -0.79 0.06 0.00 0.03 0.00 0.00 46.19 45.30 2d9f s LEU 114 CO 0.19 -0.04 0.32 -0.70 0.23 0.00 0.00 176.35 176.35 2d9f s GLU 115 N 1.12 2.87 -0.12 1.70 2.12 -1.26 -0.42 118.70 124.70 2d9f s GLU 115 Ca -0.06 -1.27 -0.21 0.00 0.36 0.00 0.00 54.97 53.79 2d9f s GLU 115 Cb -0.14 -3.96 -0.03 0.00 0.26 0.00 0.00 34.13 30.25 2d9f s GLU 115 CO -0.01 -0.91 0.62 0.08 -0.54 0.00 0.00 175.26 174.49 2d9f s VAL 116 N 1.59 5.08 -0.34 3.70 1.01 0.23 -3.72 120.40 127.94 2d9f s VAL 116 Ca 0.04 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.25 2d9f s VAL 116 Cb -0.22 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.32 2d9f s VAL 116 CO 0.06 0.22 0.12 -0.89 0.00 0.00 0.00 175.10 174.62 2d9f s THR 117 N 1.12 1.21 -0.21 3.92 2.01 -1.18 -1.22 115.64 121.29 2d9f s THR 117 Ca 0.31 -1.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.22 2d9f s THR 117 Cb -0.16 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 2d9f s THR 117 CO 0.13 -0.71 1.68 -0.22 -0.69 0.00 0.00 174.62 174.81 2d9f s LEU 118 N 1.22 3.87 -0.13 4.42 1.98 -1.24 -2.72 118.68 126.08 2d9f s LEU 118 Ca 0.12 1.68 -0.12 0.00 -2.89 0.00 0.00 54.13 52.92 2d9f s LEU 118 Cb -0.19 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.09 2d9f s LEU 118 CO -0.17 -1.32 -0.23 0.29 -1.89 0.00 0.00 176.35 173.03 2d9f n LYS 119 N 7.77 0.40 -3.75 1.98 4.76 -1.09 -1.47 118.16 126.75 2d9f n LYS 119 Ca 0.20 0.27 -0.13 0.00 -2.87 0.00 0.00 58.31 55.77 2d9f n LYS 119 Cb 0.45 -1.32 -0.10 0.00 -1.84 0.00 0.00 35.03 32.22 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 -2.33 0.00 -0.14 -0.18 -4.23 -1.24 -4.46 115.64 103.06 2d9f s THR 120 Ca -0.19 -0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.29 2d9f s THR 120 Cb 0.03 -0.50 0.02 0.00 1.34 0.00 0.00 72.50 73.38 2d9f s THR 120 CO 0.28 -0.02 -0.15 0.00 -0.54 0.00 0.00 174.62 174.19 2d9f s ALA 121 N 0.05 1.89 0.29 3.99 0.00 -1.26 -2.61 121.76 124.10 2d9f s ALA 121 Ca -0.01 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2d9f s ALA 121 Cb -0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 2d9f s ALA 121 CO 0.01 -0.28 0.26 0.14 0.00 0.00 0.00 175.76 175.88 2d9f s VAL 122 N 1.31 0.00 -0.11 0.00 -7.23 -0.19 -4.99 120.40 109.19 2d9f s VAL 122 Ca 0.01 -1.94 0.13 0.00 -1.81 0.00 0.00 61.98 58.37 2d9f s VAL 122 Cb -0.13 -2.51 -0.24 0.00 0.56 0.00 0.00 36.38 34.06 2d9f s VAL 122 CO -0.08 0.00 0.41 -0.67 -0.31 0.00 0.00 175.10 174.44 2d9f n ASP 123 N -1.10 0.64 -4.83 4.85 2.03 -1.26 0.13 116.55 117.01 2d9f n ASP 123 Ca 0.05 0.24 -0.34 0.00 0.52 0.00 0.00 54.79 55.26 2d9f n ASP 123 Cb 0.63 0.28 -0.06 0.00 -0.72 0.00 0.00 41.12 41.25 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 -2.55 4.18 0.80 -0.67 3.00 -1.26 -4.46 118.95 117.98 2d9f s ARG 124 Ca -0.08 0.90 -0.11 0.00 0.00 0.00 0.00 55.73 56.44 2d9f s ARG 124 Cb 0.07 -2.49 0.07 0.00 0.00 0.00 0.00 34.95 32.61 2d9f s ARG 124 CO 0.82 0.17 1.09 -1.25 0.00 0.00 0.00 175.30 176.12 2d9f s PRO 125 N -2.74 2.02 -0.55 3.54 0.04 -1.26 -4.85 135.00 131.20 2d9f s PRO 125 Ca 0.54 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 2d9f s PRO 125 Cb -0.12 -1.88 0.30 0.00 0.04 0.00 0.00 34.50 32.84 2d9f s PRO 125 CO 0.18 -1.79 2.15 -3.47 0.04 0.00 0.00 177.00 174.11 2d9f n ASP 126 N -3.61 7.10 -4.22 6.66 2.03 -1.26 -4.81 116.55 118.44 2d9f n ASP 126 Ca 0.09 -3.48 -0.44 0.00 0.52 0.00 0.00 54.79 51.48 2d9f n ASP 126 Cb 0.53 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 2d9f n ASP 126 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2d9f n LEU 127 N -0.18 5.83 -4.66 -2.67 7.94 -1.26 -5.02 117.00 116.98 2d9f n LEU 127 Ca 0.49 -4.77 -0.31 0.00 -1.11 0.00 0.00 56.01 50.31 2d9f n LEU 127 Cb 0.55 -1.49 0.17 0.00 0.53 0.00 0.00 43.42 43.18 2d9f n LEU 127 CO 0.55 1.19 0.67 -1.83 -1.11 0.00 0.00 177.39 176.86 2d9f s GLU 128 N -0.14 0.90 -0.52 1.96 4.04 -1.26 -3.87 118.70 119.81 2d9f s GLU 128 Ca 0.37 1.51 -0.03 0.00 0.04 0.00 0.00 54.97 56.87 2d9f s GLU 128 Cb -0.00 -1.72 0.00 0.00 0.02 0.00 0.00 34.13 32.43 2d9f s GLU 128 CO 0.00 -2.70 0.46 -0.12 -1.84 0.00 0.00 175.26 171.06 2d9f n MET 129 N -4.28 -3.06 -3.04 -4.83 0.00 -1.26 -5.00 117.12 95.66 2d9f n MET 129 Ca 0.11 0.33 -0.41 0.00 0.00 0.00 0.00 57.70 57.73 2d9f n MET 129 Cb 0.52 -3.83 -0.06 0.00 0.00 0.00 0.00 33.22 29.85 2d9f n MET 129 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2d9f s SER 130 N -3.20 6.60 0.00 6.12 0.15 -1.25 -4.72 113.70 117.40 2d9f s SER 130 Ca 0.19 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.48 2d9f s SER 130 Cb -0.08 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2d9f s SER 130 CO 0.29 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2d9f n GLY 131 N 4.21 0.09 3.56 9.45 0.00 -1.26 -5.08 105.19 116.16 2d9f n GLY 131 Ca 0.01 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 2.72 0.69 1.61 0.04 -1.26 -4.98 135.00 133.82 2d9f s PRO 132 Ca 0.00 0.69 -0.12 0.00 0.04 0.00 0.00 61.00 61.61 2d9f s PRO 132 Cb 0.00 -4.36 0.01 0.00 0.04 0.00 0.00 34.50 30.19 2d9f s PRO 132 CO 0.00 -2.62 1.08 -1.12 0.04 0.00 0.00 177.00 174.38 2d9f s SER 133 N 7.79 5.17 0.00 6.66 0.01 -1.26 -5.07 113.70 127.00 2d9f s SER 133 Ca 0.68 1.77 -0.04 0.00 1.31 0.00 0.00 55.95 59.67 2d9f s SER 133 Cb -0.14 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.57 2d9f s SER 133 CO 0.22 -1.59 0.08 -0.94 0.41 0.00 0.00 173.24 171.43 2d9f s SER 134 N -3.30 0.06 0.00 2.44 1.04 -1.26 -5.32 113.70 107.37 2d9f s SER 134 Ca 0.61 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2d9f s SER 134 Cb -0.16 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2d9f s SER 134 CO 0.50 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.04