#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 0.14 -3.70 1.61 7.64 -1.26 -4.94 113.62 113.11 2d9f n SER 2 Ca 0.00 0.28 -0.17 0.00 1.01 0.00 0.00 58.87 59.98 2d9f n SER 2 Cb 0.00 0.14 -0.17 0.00 -1.01 0.00 0.00 64.21 63.17 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 -5.21 0.64 0.00 6.43 0.15 -1.26 -4.97 113.70 109.49 2d9f s SER 3 Ca 0.00 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2d9f s SER 3 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2d9f s SER 3 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2d9f n GLY 4 N 4.92 -1.99 3.52 9.45 0.00 -1.26 -5.16 105.19 114.66 2d9f n GLY 4 Ca -0.12 0.71 -0.25 0.00 0.00 0.00 0.00 46.02 46.35 2d9f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d9f s SER 5 N 2.00 3.63 -0.30 1.61 1.04 -1.26 -5.12 113.70 115.30 2d9f s SER 5 Ca 0.00 -1.16 -0.08 0.00 0.48 0.00 0.00 55.95 55.19 2d9f s SER 5 Cb 0.00 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2d9f s SER 5 CO 0.00 -0.16 0.11 -0.44 0.98 0.00 0.00 173.24 173.73 2d9f s SER 6 N -3.58 5.29 0.00 7.02 0.01 -1.26 -4.70 113.70 116.48 2d9f s SER 6 Ca 0.32 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2d9f s SER 6 Cb 0.01 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2d9f s SER 6 CO 0.16 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2d9f n GLY 7 N 4.91 1.99 2.60 3.44 0.00 -1.26 -4.93 105.19 111.94 2d9f n GLY 7 Ca -0.14 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 2d9f n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2d9f n GLU 8 N 0.00 -3.12 -1.99 1.61 4.07 -1.26 -2.54 120.64 117.40 2d9f n GLU 8 Ca 0.00 0.70 -0.01 0.00 -0.06 0.00 0.00 57.16 57.79 2d9f n GLU 8 Cb 0.00 -5.09 -0.00 0.00 -0.06 0.00 0.00 31.44 26.29 2d9f n GLU 8 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2d9f n GLU 9 N -3.04 -2.27 -4.51 5.31 1.02 -1.26 -4.83 120.64 111.05 2d9f n GLU 9 Ca -0.11 0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.84 2d9f n GLU 9 Cb 0.60 -4.41 -0.08 0.00 -0.02 0.00 0.00 31.44 27.54 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 1.78 -0.17 -0.32 0.52 -1.05 -5.07 118.94 112.90 2d9f s TRP 10 Ca 0.00 -1.31 -0.14 0.00 0.02 0.00 0.00 56.10 54.67 2d9f s TRP 10 Cb 0.00 -1.14 -0.05 0.00 -1.15 0.00 0.00 33.47 31.14 2d9f s TRP 10 CO 0.00 -0.33 0.30 -1.17 0.02 0.00 0.00 176.95 175.77 2d9f s LEU 11 N -3.60 4.22 -0.56 2.99 0.20 -1.01 -4.91 118.68 116.02 2d9f s LEU 11 Ca 0.24 0.48 -0.20 0.00 0.69 0.00 0.00 54.13 55.35 2d9f s LEU 11 Cb 0.02 -2.37 0.08 0.00 -0.43 0.00 0.00 46.19 43.48 2d9f s LEU 11 CO 0.15 0.08 0.70 1.51 -0.29 0.00 0.00 176.35 178.50 2d9f s ASP 12 N 0.57 6.21 0.10 3.68 1.47 -1.26 -2.00 116.67 125.44 2d9f s ASP 12 Ca 0.16 -1.09 -0.15 0.00 1.18 0.00 0.00 52.55 52.65 2d9f s ASP 12 Cb -0.13 -2.31 -0.07 0.00 -0.34 0.00 0.00 42.92 40.06 2d9f s ASP 12 CO 0.04 -1.05 1.46 0.40 0.68 0.00 0.00 175.17 176.70 2d9f h ILE 13 N 5.91 1.30 0.00 2.11 2.04 -1.88 -3.28 117.51 123.70 2d9f h ILE 13 Ca -0.28 -1.30 -0.31 0.00 1.00 0.00 0.00 64.86 63.97 2d9f h ILE 13 Cb 1.09 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 2d9f h ILE 13 CO 1.04 0.42 -1.87 0.18 0.00 0.00 0.00 178.15 177.93 2d9f n LEU 14 N -4.36 0.72 0.00 1.44 4.77 -1.26 -5.00 117.00 113.32 2d9f n LEU 14 Ca -0.03 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2d9f n LEU 14 Cb 0.40 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2d9f n LEU 14 CO 0.43 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2d9f n GLY 15 N 1.61 2.49 0.31 -0.72 0.00 -1.24 -4.92 105.19 102.71 2d9f n GLY 15 Ca -0.21 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 0.63 -0.68 0.00 1.61 -1.07 -1.92 -3.48 115.58 110.67 2d9f h ASN 16 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.41 2d9f h ASN 16 Cb 0.00 0.21 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 2d9f h ASN 16 CO 0.00 -0.42 0.00 0.61 0.07 0.00 0.00 177.43 177.69 2d9f n GLY 17 N -1.40 0.78 0.19 9.14 0.00 -1.26 -4.98 105.19 107.65 2d9f n GLY 17 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.38 -8.82 0.99 -0.00 -1.91 -3.41 115.31 101.78 2d9f h LEU 18 Ca 0.00 0.01 -0.57 0.00 -0.00 0.00 0.00 57.88 57.33 2d9f h LEU 18 Cb 0.00 0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 40.70 2d9f h LEU 18 CO 0.00 -0.13 1.04 -0.22 -0.00 0.00 0.00 178.44 179.13 2d9f s LEU 19 N -7.19 3.65 0.07 1.67 2.96 -1.26 -3.85 118.68 114.72 2d9f s LEU 19 Ca -0.06 0.88 0.05 0.00 -0.22 0.00 0.00 54.13 54.78 2d9f s LEU 19 Cb 0.01 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 2d9f s LEU 19 CO 0.19 -1.34 -0.15 -0.13 -1.32 0.00 0.00 176.35 173.61 2d9f s ARG 20 N 4.73 0.85 0.03 1.98 0.52 -1.18 -2.59 118.95 123.30 2d9f s ARG 20 Ca 0.59 -0.94 0.04 0.00 -0.52 0.00 0.00 55.73 54.90 2d9f s ARG 20 Cb -0.14 -0.87 -0.02 0.00 0.52 0.00 0.00 34.95 34.44 2d9f s ARG 20 CO 0.31 0.20 -0.11 0.21 0.02 0.00 0.00 175.30 175.92 2d9f s LYS 21 N -1.66 0.77 -0.21 3.54 2.20 -0.85 -1.21 119.74 122.33 2d9f s LYS 21 Ca -0.01 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 2d9f s LYS 21 Cb -0.10 -0.72 0.07 0.00 -1.51 0.00 0.00 37.83 35.57 2d9f s LYS 21 CO 0.02 0.18 0.06 0.21 -0.36 0.00 0.00 175.35 175.46 2d9f s LYS 22 N -1.08 0.51 -0.47 4.03 2.20 0.25 -2.41 119.74 122.77 2d9f s LYS 22 Ca -0.01 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 54.90 2d9f s LYS 22 Cb -0.07 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.23 2d9f s LYS 22 CO 0.01 -0.72 2.15 0.99 -0.36 0.00 0.00 175.35 177.42 2d9f s THR 23 N 1.91 3.17 0.00 3.43 2.01 -1.26 -0.53 115.64 124.36 2d9f s THR 23 Ca 0.01 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 61.93 2d9f s THR 23 Cb -0.17 -3.36 -0.20 0.00 0.01 0.00 0.00 72.50 68.78 2d9f s THR 23 CO -0.12 -0.32 1.16 -0.07 -0.69 0.00 0.00 174.62 174.58 2d9f h LEU 24 N 17.33 0.42 -6.78 4.42 3.38 -0.80 -3.44 115.31 129.84 2d9f h LEU 24 Ca -0.28 -0.68 -0.38 0.00 0.09 0.00 0.00 57.88 56.63 2d9f h LEU 24 Cb 1.22 -0.12 -0.37 0.00 0.09 0.00 0.00 40.66 41.48 2d9f h LEU 24 CO 1.13 1.03 -0.67 -0.69 0.09 0.00 0.00 178.44 179.33 2d9f s VAL 25 N -3.53 -0.26 0.62 1.22 1.01 0.74 -4.98 120.40 115.23 2d9f s VAL 25 Ca -0.14 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 2d9f s VAL 25 Cb 0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2d9f s VAL 25 CO 0.78 -0.35 1.12 -2.16 0.00 0.00 0.00 175.10 174.48 2d9f s PRO 26 N 2.26 2.98 0.76 2.72 0.04 -1.26 0.35 135.00 142.85 2d9f s PRO 26 Ca 0.07 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.52 2d9f s PRO 26 Cb -0.15 -1.97 0.13 0.00 0.04 0.00 0.00 34.50 32.55 2d9f s PRO 26 CO -0.19 -1.12 1.05 0.20 0.04 0.00 0.00 177.00 176.97 2d9f s GLY 27 N -2.34 1.76 0.82 0.56 0.00 -1.26 -4.81 107.32 102.06 2d9f s GLY 27 Ca 0.69 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 2d9f s GLY 27 CO 0.37 -0.97 1.09 2.56 0.00 0.00 0.00 173.10 176.15 2d9f s PRO 28 N -5.28 1.84 0.00 2.90 0.04 -1.26 -4.90 135.00 128.34 2d9f s PRO 28 Ca 0.67 1.03 0.10 0.00 0.04 0.00 0.00 61.00 62.84 2d9f s PRO 28 Cb -0.06 -1.86 0.61 0.00 0.04 0.00 0.00 34.50 33.23 2d9f s PRO 28 CO 0.46 -1.89 1.05 -0.35 0.04 0.00 0.00 177.00 176.30 2d9f n PRO 29 N -3.67 0.49 -0.11 0.56 -0.04 -1.26 -3.32 135.00 127.65 2d9f n PRO 29 Ca 0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 2d9f n PRO 29 Cb 0.54 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 2d9f n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d9f n GLY 30 N -0.02 -0.61 3.14 0.55 0.00 -1.26 -5.00 105.19 101.99 2d9f n GLY 30 Ca 0.08 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2d9f n GLY 30 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d9f n SER 31 N -4.40 -3.12 -3.64 1.61 7.64 -1.21 -5.06 113.62 105.44 2d9f n SER 31 Ca -0.31 -0.46 -0.09 0.00 1.01 0.00 0.00 58.87 59.03 2d9f n SER 31 Cb 0.65 -0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 62.93 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 -2.26 -0.38 0.46 6.43 1.04 -1.26 -4.89 113.70 112.83 2d9f s SER 32 Ca 0.50 -0.29 -0.25 0.00 0.48 0.00 0.00 55.95 56.39 2d9f s SER 32 Cb -0.10 0.62 -0.08 0.00 0.10 0.00 0.00 66.02 66.56 2d9f s SER 32 CO 0.47 -1.08 1.42 0.54 0.98 0.00 0.00 173.24 175.58 2d9f n ARG 33 N -0.41 2.17 -0.09 4.02 1.74 -1.26 -1.81 116.66 121.01 2d9f n ARG 33 Ca -0.10 0.77 -0.03 0.00 -0.77 0.00 0.00 57.85 57.73 2d9f n ARG 33 Cb 0.62 -2.61 0.02 0.00 -1.02 0.00 0.00 32.46 29.47 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 -0.29 -1.21 -4.34 5.56 -0.04 -1.26 -4.86 135.00 128.55 2d9f n PRO 34 Ca 0.06 -0.16 -0.26 0.00 -0.04 0.00 0.00 63.50 63.10 2d9f n PRO 34 Cb 0.42 -0.15 -0.10 0.00 -0.04 0.00 0.00 33.50 33.63 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 -1.18 2.93 -0.30 0.52 0.11 -1.26 -5.02 120.40 116.19 2d9f s VAL 35 Ca 0.06 -1.85 -0.23 0.00 -2.93 0.00 0.00 61.98 57.03 2d9f s VAL 35 Cb -0.01 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 2d9f s VAL 35 CO 0.05 -0.16 0.79 -0.75 -3.33 0.00 0.00 175.10 171.69 2d9f s LYS 36 N -2.93 3.97 0.00 1.54 2.20 -1.26 -3.77 119.74 119.49 2d9f s LYS 36 Ca 0.25 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 2d9f s LYS 36 Cb -0.08 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 2d9f s LYS 36 CO 0.14 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 2d9f n GLY 37 N 4.19 1.29 3.73 5.54 0.00 0.29 -4.90 105.19 115.33 2d9f n GLY 37 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.06 2.22 -0.59 1.61 -0.21 -1.25 -4.85 119.66 116.54 2d9f s GLN 38 Ca 0.00 -1.84 -0.26 0.00 0.02 0.00 0.00 55.36 53.28 2d9f s GLN 38 Cb 0.00 -1.98 0.04 0.00 1.00 0.00 0.00 33.01 32.07 2d9f s GLN 38 CO 0.00 -0.10 1.09 0.08 -2.12 0.00 0.00 175.29 174.24 2d9f s VAL 39 N -2.59 4.16 -0.21 1.09 1.01 0.16 -2.94 120.40 121.07 2d9f s VAL 39 Ca 0.41 0.55 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 2d9f s VAL 39 Cb 0.04 -4.67 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 2d9f s VAL 39 CO 0.22 -1.30 0.11 0.68 0.00 0.00 0.00 175.10 174.82 2d9f s VAL 40 N 4.57 5.09 -0.29 2.92 -7.23 -0.95 -1.49 120.40 123.03 2d9f s VAL 40 Ca 0.36 0.08 -0.05 0.00 -1.81 0.00 0.00 61.98 60.57 2d9f s VAL 40 Cb -0.10 -3.34 0.03 0.00 0.56 0.00 0.00 36.38 33.53 2d9f s VAL 40 CO 0.21 0.41 0.03 -0.89 -0.31 0.00 0.00 175.10 174.55 2d9f s THR 41 N 0.71 3.48 0.41 5.32 2.01 -0.75 -2.65 115.64 124.17 2d9f s THR 41 Ca 0.06 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.12 2d9f s THR 41 Cb -0.13 -2.86 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2d9f s THR 41 CO 0.02 0.03 0.17 0.68 -0.69 0.00 0.00 174.62 174.82 2d9f s VAL 42 N 1.39 0.41 -0.25 3.82 -7.23 0.10 -2.59 120.40 116.05 2d9f s VAL 42 Ca -0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2d9f s VAL 42 Cb -0.18 -2.31 0.03 0.00 0.56 0.00 0.00 36.38 34.49 2d9f s VAL 42 CO 0.00 0.00 -0.07 -2.28 -0.31 0.00 0.00 175.10 172.44 2d9f s HIS 43 N -3.20 3.10 -0.08 2.82 2.46 -1.16 0.25 115.29 119.48 2d9f s HIS 43 Ca 0.25 -1.71 0.05 0.00 0.47 0.00 0.00 55.06 54.11 2d9f s HIS 43 Cb 0.01 -2.04 -0.01 0.00 -0.13 0.00 0.00 32.58 30.42 2d9f s HIS 43 CO 0.17 -0.77 -0.23 -1.17 -2.47 0.00 0.00 174.74 170.28 2d9f s LEU 44 N 1.28 2.20 -0.18 8.88 1.98 -1.14 -3.34 118.68 128.35 2d9f s LEU 44 Ca -0.01 -0.48 -0.01 0.00 -2.89 0.00 0.00 54.13 50.73 2d9f s LEU 44 Cb -0.17 -1.42 0.05 0.00 0.66 0.00 0.00 46.19 45.30 2d9f s LEU 44 CO -0.05 0.22 -0.04 -1.10 -1.89 0.00 0.00 176.35 173.49 2d9f s GLN 45 N 0.01 1.31 0.03 1.98 -0.21 -1.26 -2.77 119.66 118.75 2d9f s GLN 45 Ca -0.08 -0.57 -0.25 0.00 0.02 0.00 0.00 55.36 54.48 2d9f s GLN 45 Cb -0.15 -2.11 -0.05 0.00 1.00 0.00 0.00 33.01 31.70 2d9f s GLN 45 CO 0.05 -0.50 0.76 0.99 -2.12 0.00 0.00 175.29 174.47 2d9f s THR 46 N 1.64 4.78 -0.10 -0.19 2.01 -1.21 -3.84 115.64 118.72 2d9f s THR 46 Ca -0.01 1.61 -0.15 0.00 0.31 0.00 0.00 61.69 63.45 2d9f s THR 46 Cb -0.16 -4.11 0.04 0.00 0.01 0.00 0.00 72.50 68.28 2d9f s THR 46 CO -0.07 0.35 0.39 -0.94 -0.69 0.00 0.00 174.62 173.65 2d9f s SER 47 N 0.08 -0.36 0.74 3.53 1.04 -1.01 0.12 113.70 117.83 2d9f s SER 47 Ca 0.39 0.59 -0.13 0.00 0.48 0.00 0.00 55.95 57.27 2d9f s SER 47 Cb -0.20 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.61 2d9f s SER 47 CO 0.22 -0.25 1.13 -0.76 0.98 0.00 0.00 173.24 174.56 2d9f s LEU 48 N -0.31 3.21 0.57 2.42 2.01 -0.00 0.05 118.68 126.63 2d9f s LEU 48 Ca -0.05 2.06 0.34 0.00 0.01 0.00 0.00 54.13 56.49 2d9f s LEU 48 Cb -0.03 -4.55 1.69 0.00 0.01 0.00 0.00 46.19 43.30 2d9f s LEU 48 CO 0.02 -2.06 2.13 -0.08 1.01 0.00 0.00 176.35 177.36 2d9f h GLU 49 N -0.58 0.00 0.24 1.70 4.81 -1.91 -2.64 114.58 116.20 2d9f h GLU 49 Ca -0.46 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.45 2d9f h GLU 49 Cb 1.26 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.67 2d9f h GLU 49 CO 0.51 0.05 -1.44 -0.91 -0.73 0.00 0.00 179.01 176.49 2d9f h ASN 50 N 0.00 0.80 0.00 1.04 2.35 -1.92 -3.48 115.58 114.37 2d9f h ASN 50 Ca -0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 54.82 2d9f h ASN 50 Cb 0.30 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2d9f h ASN 50 CO 0.01 1.69 0.00 0.61 -1.65 0.00 0.00 177.43 178.09 2d9f n GLY 51 N 1.72 0.22 2.85 2.83 0.00 -0.99 -5.13 105.19 106.70 2d9f n GLY 51 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.30 1.52 -0.19 2.61 2.01 -1.25 -4.91 115.64 115.13 2d9f s THR 52 Ca 0.00 -1.91 -0.32 0.00 0.31 0.00 0.00 61.69 59.77 2d9f s THR 52 Cb 0.00 -2.13 -0.10 0.00 0.01 0.00 0.00 72.50 70.29 2d9f s THR 52 CO 0.00 -0.66 2.07 0.54 -0.69 0.00 0.00 174.62 175.87 2d9f n ARG 53 N 4.48 1.88 -0.07 4.92 1.74 -1.26 -0.82 116.66 127.52 2d9f n ARG 53 Ca 0.01 0.61 -0.14 0.00 -0.77 0.00 0.00 57.85 57.56 2d9f n ARG 53 Cb 0.41 -2.79 -0.06 0.00 -1.02 0.00 0.00 32.46 29.00 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 6.39 1.32 -3.28 1.55 2.07 -0.65 -3.47 116.25 120.18 2d9f h VAL 54 Ca -0.41 -1.52 0.01 0.00 0.82 0.00 0.00 66.70 65.60 2d9f h VAL 54 Cb 1.27 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.76 2d9f h VAL 54 CO 0.97 0.47 0.08 0.00 0.02 0.00 0.00 177.57 179.11 2d9f s GLN 55 N -4.18 1.69 -0.30 1.57 -2.07 -1.07 -4.84 119.66 110.46 2d9f s GLN 55 Ca -0.13 -1.11 -0.02 0.00 -1.82 0.00 0.00 55.36 52.28 2d9f s GLN 55 Cb 0.07 0.55 0.10 0.00 -1.09 0.00 0.00 33.01 32.64 2d9f s GLN 55 CO 0.82 -0.75 0.10 -2.00 -1.32 0.00 0.00 175.29 172.14 2d9f s GLU 56 N -3.94 0.56 -0.45 9.60 2.12 -1.26 -3.31 118.70 122.03 2d9f s GLU 56 Ca 0.16 -0.89 -0.09 0.00 0.36 0.00 0.00 54.97 54.52 2d9f s GLU 56 Cb -0.04 -1.76 0.10 0.00 0.26 0.00 0.00 34.13 32.69 2d9f s GLU 56 CO 0.08 -0.98 0.30 -2.00 -0.54 0.00 0.00 175.26 172.13 2d9f s GLU 57 N 1.76 2.49 -0.02 4.30 2.56 -1.11 -4.96 118.70 123.71 2d9f s GLU 57 Ca 0.09 -1.66 -0.25 0.00 0.00 0.00 0.00 54.97 53.14 2d9f s GLU 57 Cb -0.17 -3.85 -0.19 0.00 2.00 0.00 0.00 34.13 31.92 2d9f s GLU 57 CO -0.28 -1.10 1.20 -1.00 -0.56 0.00 0.00 175.26 173.53 2d9f h PRO 58 N 8.41 -0.09 -3.95 4.30 0.13 -1.91 -3.02 132.00 135.87 2d9f h PRO 58 Ca -0.21 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.24 2d9f h PRO 58 Cb 1.07 0.02 -0.36 0.00 0.13 0.00 0.00 31.00 31.86 2d9f h PRO 58 CO 0.81 0.36 -0.50 -2.00 -0.23 0.00 0.00 178.00 176.45 2d9f s GLU 59 N -4.19 2.19 -0.30 0.86 2.56 -1.26 -4.32 118.70 114.24 2d9f s GLU 59 Ca -0.15 -2.26 -0.14 0.00 0.00 0.00 0.00 54.97 52.42 2d9f s GLU 59 Cb 0.02 -3.57 -0.03 0.00 2.00 0.00 0.00 34.13 32.55 2d9f s GLU 59 CO 0.62 -1.11 0.32 -1.17 -0.56 0.00 0.00 175.26 173.36 2d9f s LEU 60 N 0.38 4.20 0.05 2.70 1.98 0.14 -4.95 118.68 123.18 2d9f s LEU 60 Ca 0.14 0.00 0.08 0.00 -2.89 0.00 0.00 54.13 51.46 2d9f s LEU 60 Cb -0.22 -2.31 -0.03 0.00 0.66 0.00 0.00 46.19 44.30 2d9f s LEU 60 CO -0.04 -0.21 -0.24 0.54 -1.89 0.00 0.00 176.35 174.52 2d9f s VAL 61 N 1.96 1.92 0.24 1.68 0.11 -1.26 0.03 120.40 125.08 2d9f s VAL 61 Ca 0.11 -1.34 -0.21 0.00 -2.93 0.00 0.00 61.98 57.62 2d9f s VAL 61 Cb -0.16 -1.66 0.06 0.00 -1.53 0.00 0.00 36.38 33.09 2d9f s VAL 61 CO 0.11 0.26 0.92 0.72 -3.33 0.00 0.00 175.10 173.77 2d9f s PHE 62 N -0.83 0.01 -0.61 1.54 -0.12 -1.08 -5.00 117.98 111.88 2d9f s PHE 62 Ca 0.10 -0.47 -0.10 0.00 -0.05 0.00 0.00 56.93 56.41 2d9f s PHE 62 Cb -0.09 0.73 0.16 0.00 -0.63 0.00 0.00 43.02 43.18 2d9f s PHE 62 CO 0.02 -1.11 0.49 0.99 -0.05 0.00 0.00 175.22 175.57 2d9f s THR 63 N -2.66 4.59 0.24 -4.49 2.01 -1.26 -2.24 115.64 111.82 2d9f s THR 63 Ca 0.17 -2.18 -0.29 0.00 0.31 0.00 0.00 61.69 59.69 2d9f s THR 63 Cb -0.03 -3.95 -0.15 0.00 0.01 0.00 0.00 72.50 68.38 2d9f s THR 63 CO 0.06 -0.87 0.85 -0.11 -0.69 0.00 0.00 174.62 173.86 2d9f n LEU 64 N 4.40 0.62 0.00 4.42 7.94 -1.15 -2.21 117.00 131.01 2d9f n LEU 64 Ca 0.00 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 2d9f n LEU 64 Cb 0.42 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2d9f n LEU 64 CO 0.40 -1.98 0.00 0.61 -1.11 0.00 0.00 177.39 175.31 2d9f n GLY 65 N 1.60 2.46 0.02 -3.96 0.00 -1.26 -0.55 105.19 103.50 2d9f n GLY 65 Ca 0.13 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.25 0.64 -3.67 1.61 -0.08 -0.94 -4.97 116.55 109.38 2d9f n ASP 66 Ca 0.00 -0.33 -0.23 0.00 -1.51 0.00 0.00 54.79 52.72 2d9f n ASP 66 Cb 0.00 0.55 0.06 0.00 2.34 0.00 0.00 41.12 44.07 2d9f n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d9f h ASP 68 N -2.18 0.00 -5.86 0.00 3.32 -1.94 -3.44 116.42 106.33 2d9f h ASP 68 Ca -0.59 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 55.92 2d9f h ASP 68 Cb 1.36 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 2d9f h ASP 68 CO 0.58 0.00 -0.24 1.33 -1.72 0.00 0.00 179.24 179.19 2d9f n VAL 69 N -2.69 0.00 -1.40 -1.35 0.24 -1.26 -5.07 118.33 106.79 2d9f n VAL 69 Ca 0.00 -2.08 -0.41 0.00 -2.04 0.00 0.00 64.34 59.81 2d9f n VAL 69 Cb 0.19 -0.10 0.01 0.00 -1.47 0.00 0.00 33.84 32.47 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 -1.80 1.44 0.39 1.34 2.08 -1.26 -4.66 119.36 116.88 2d9f n ILE 70 Ca 0.00 -0.50 0.12 0.00 0.56 0.00 0.00 62.75 62.93 2d9f n ILE 70 Cb 0.60 -0.39 0.49 0.00 -0.75 0.00 0.00 39.64 39.59 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 0.75 0.19 0.02 0.38 6.02 -1.01 -1.59 117.38 122.13 2d9f n GLN 71 Ca 0.11 0.43 0.11 0.00 -0.01 0.00 0.00 57.00 57.64 2d9f n GLN 71 Cb 0.41 -1.87 0.08 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.77 3.58 -0.13 -1.58 0.00 -1.25 -3.21 120.51 116.15 2d9f n ALA 72 Ca 0.02 -0.40 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 2d9f n ALA 72 Cb 0.22 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.79 2.54 0.08 0.00 7.94 -0.78 -3.88 117.00 121.11 2d9f n LEU 73 Ca 0.03 0.08 -0.05 0.00 -1.11 0.00 0.00 56.01 54.96 2d9f n LEU 73 Cb 0.39 -0.89 0.14 0.00 0.53 0.00 0.00 43.42 43.59 2d9f n LEU 73 CO 0.39 0.78 0.51 -0.78 -1.11 0.00 0.00 177.39 177.17 2d9f h ASP 74 N -0.41 0.27 0.67 1.96 1.82 -1.49 0.24 116.42 119.49 2d9f h ASP 74 Ca -0.62 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 55.87 2d9f h ASP 74 Cb 1.78 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.71 2d9f h ASP 74 CO -0.22 0.79 -0.03 0.18 -1.61 0.00 0.00 179.24 178.35 2d9f n LEU 75 N -3.90 0.06 -0.05 2.28 4.32 -1.20 -3.57 117.00 114.94 2d9f n LEU 75 Ca -0.02 0.31 -0.05 0.00 -0.02 0.00 0.00 56.01 56.23 2d9f n LEU 75 Cb 0.59 -0.34 -0.08 0.00 -1.62 0.00 0.00 43.42 41.98 2d9f n LEU 75 CO 0.44 0.01 -0.83 -1.54 -1.22 0.00 0.00 177.39 174.25 2d9f n SER 76 N -1.32 2.60 -0.05 -1.43 3.41 -1.02 -4.56 113.62 111.24 2d9f n SER 76 Ca 0.12 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.62 2d9f n SER 76 Cb 0.28 0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.21 0.00 -3.33 2.07 -0.58 0.28 116.25 114.90 2d9f h VAL 77 Ca -0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2d9f h VAL 77 Cb 1.60 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 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 -5.42 0.49 -0.35 1.57 -0.04 -1.26 -2.05 135.00 127.94 2d9f n PRO 78 Ca -0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.52 2d9f n PRO 78 Cb 0.34 -1.33 0.22 0.00 -0.04 0.00 0.00 33.50 32.69 2d9f n PRO 78 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2d9f n LEU 79 N -0.83 3.52 -3.79 1.53 4.77 0.98 -4.95 117.00 118.23 2d9f n LEU 79 Ca 0.08 -2.68 -0.13 0.00 -0.03 0.00 0.00 56.01 53.25 2d9f n LEU 79 Cb 0.04 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.58 2d9f n LEU 79 CO 0.06 0.69 -0.07 0.00 -1.33 0.00 0.00 177.39 176.73 2d9f s MET 80 N -2.22 0.34 0.70 3.23 0.23 -0.87 -5.05 119.30 115.66 2d9f s MET 80 Ca 0.35 0.28 -0.12 0.00 -1.03 0.00 0.00 55.69 55.17 2d9f s MET 80 Cb 0.26 0.16 0.02 0.00 -1.53 0.00 0.00 34.83 33.75 2d9f s MET 80 CO 0.11 -0.05 1.08 -0.51 -2.03 0.00 0.00 175.02 173.62 2d9f s ASP 81 N -0.06 5.03 -0.27 -1.18 1.11 -1.26 -4.45 116.67 115.58 2d9f s ASP 81 Ca -0.02 1.82 -0.29 0.00 0.18 0.00 0.00 52.55 54.24 2d9f s ASP 81 Cb -0.02 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.42 2d9f s ASP 81 CO 0.01 -1.68 1.59 0.54 1.18 0.00 0.00 175.17 176.81 2d9f s VAL 82 N -2.73 3.72 0.00 -1.27 0.11 -0.75 -2.69 120.40 116.79 2d9f s VAL 82 Ca 0.62 0.80 0.00 0.00 -2.93 0.00 0.00 61.98 60.47 2d9f s VAL 82 Cb -0.17 -3.80 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 2d9f s VAL 82 CO 0.49 -0.38 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 2d9f n GLY 83 N 4.80 1.39 3.24 6.54 0.00 0.96 -4.51 105.19 117.61 2d9f n GLY 83 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.27 2.83 -0.33 1.61 2.12 -1.10 -4.14 118.70 119.42 2d9f s GLU 84 Ca 0.00 -0.89 -0.19 0.00 0.36 0.00 0.00 54.97 54.25 2d9f s GLU 84 Cb 0.00 -2.24 -0.01 0.00 0.26 0.00 0.00 34.13 32.15 2d9f s GLU 84 CO 0.00 0.27 0.56 0.99 -0.54 0.00 0.00 175.26 176.54 2d9f s THR 85 N 0.12 4.98 0.03 -1.70 2.01 0.16 -3.08 115.64 118.16 2d9f s THR 85 Ca -0.12 0.54 0.06 0.00 0.31 0.00 0.00 61.69 62.48 2d9f s THR 85 Cb -0.16 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 2d9f s THR 85 CO 0.07 -0.19 -0.18 0.00 -0.69 0.00 0.00 174.62 173.63 2d9f s ALA 86 N 2.49 1.48 0.25 7.40 0.00 0.60 -0.05 121.76 133.93 2d9f s ALA 86 Ca 0.21 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.31 2d9f s ALA 86 Cb -0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2d9f s ALA 86 CO 0.13 0.32 0.32 1.41 0.00 0.00 0.00 175.76 177.94 2d9f s MET 87 N -1.05 3.29 -0.08 0.00 -2.45 0.31 -0.35 119.30 118.97 2d9f s MET 87 Ca 0.05 -0.85 -0.04 0.00 -1.25 0.00 0.00 55.69 53.60 2d9f s MET 87 Cb -0.08 -2.80 0.04 0.00 1.25 0.00 0.00 34.83 33.24 2d9f s MET 87 CO 0.01 0.40 0.18 0.14 1.05 0.00 0.00 175.02 176.81 2d9f s VAL 88 N -2.03 -0.05 -0.31 10.11 -7.23 0.93 -0.58 120.40 121.25 2d9f s VAL 88 Ca 0.34 0.17 -0.00 0.00 -1.81 0.00 0.00 61.98 60.68 2d9f s VAL 88 Cb -0.09 -0.29 0.10 0.00 0.56 0.00 0.00 36.38 36.66 2d9f s VAL 88 CO 0.28 0.07 0.08 0.42 -0.31 0.00 0.00 175.10 175.64 2d9f s THR 89 N 1.22 1.12 0.33 5.32 -4.23 -0.35 -1.94 115.64 117.11 2d9f s THR 89 Ca -0.09 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 58.97 2d9f s THR 89 Cb -0.11 -1.81 -0.06 0.00 1.34 0.00 0.00 72.50 71.85 2d9f s THR 89 CO -0.07 -0.62 -0.01 0.00 -0.54 0.00 0.00 174.62 173.38 2d9f s ALA 90 N 1.50 2.59 0.58 3.99 0.00 -1.25 -3.09 121.76 126.08 2d9f s ALA 90 Ca 0.09 -2.06 -0.18 0.00 0.00 0.00 0.00 51.96 49.81 2d9f s ALA 90 Cb -0.18 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2d9f s ALA 90 CO -0.21 -0.13 1.12 0.34 0.00 0.00 0.00 175.76 176.88 2d9f s ASP 91 N -3.53 5.53 0.35 0.00 2.15 -1.26 -3.67 116.67 116.24 2d9f s ASP 91 Ca 0.33 2.13 0.16 0.00 0.43 0.00 0.00 52.55 55.59 2d9f s ASP 91 Cb 0.06 -2.57 1.15 0.00 -0.30 0.00 0.00 42.92 41.26 2d9f s ASP 91 CO 0.15 -1.34 1.64 -1.28 -0.17 0.00 0.00 175.17 174.16 2d9f h SER 92 N 0.85 0.42 -1.03 -0.34 0.87 -1.85 0.43 113.55 112.89 2d9f h SER 92 Ca -0.49 0.21 0.36 0.00 -1.23 0.00 0.00 61.79 60.65 2d9f h SER 92 Cb 1.26 0.19 -0.16 0.00 -0.44 0.00 0.00 62.40 63.25 2d9f h SER 92 CO 0.56 -0.23 0.59 0.07 -0.53 0.00 0.00 176.83 177.29 2d9f h LYS 93 N 0.22 0.19 0.00 2.24 2.10 -1.90 1.15 116.57 120.56 2d9f h LYS 93 Ca 0.76 -0.01 -0.11 0.00 -2.00 0.00 0.00 60.65 59.29 2d9f h LYS 93 Cb 1.82 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 33.08 2d9f h LYS 93 CO -0.66 0.13 -1.11 1.88 -2.00 0.00 0.00 179.45 177.68 2d9f h TYR 94 N 0.20 0.00 0.00 0.07 0.05 -0.49 -3.30 116.97 113.50 2d9f h TYR 94 Ca 0.78 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.56 2d9f h TYR 94 Cb 1.95 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.69 2d9f h TYR 94 CO -0.01 0.39 0.00 0.00 -1.05 0.00 0.00 178.16 177.49 2d9f n TYR 96 N -1.88 0.00 0.00 0.00 4.01 0.26 -4.47 117.16 115.07 2d9f n TYR 96 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2d9f n TYR 96 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2d9f n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d9f n GLY 97 N 1.95 3.62 0.00 2.72 0.00 -0.15 -4.72 105.19 108.60 2d9f n GLY 97 Ca 0.00 -1.82 0.08 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.37 0.45 -0.08 1.61 -0.04 -1.26 -2.33 135.00 131.99 2d9f n PRO 98 Ca 0.00 0.02 -0.10 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 -1.03 0.67 0.00 0.54 10.64 -1.26 -4.49 117.38 122.45 2d9f n GLN 99 Ca 0.11 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 2d9f n GLN 99 Cb 0.06 -1.60 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 1.71 1.07 3.40 2.61 0.00 -0.98 -4.70 105.19 108.29 2d9f n GLY 100 Ca -0.28 -2.28 -0.28 0.00 0.00 0.00 0.00 46.02 43.17 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 2.30 -4.57 1.61 2.88 -1.12 -4.62 113.62 110.10 2d9f n SER 101 Ca 0.00 -3.14 -0.25 0.00 -1.33 0.00 0.00 58.87 54.16 2d9f n SER 101 Cb 0.00 0.67 -0.09 0.00 -0.75 0.00 0.00 64.21 64.05 2d9f n SER 101 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2d9f s ARG 102 N -3.65 2.06 -0.22 -1.46 3.00 -1.26 -3.86 118.95 113.56 2d9f s ARG 102 Ca 0.10 -1.44 -0.15 0.00 0.00 0.00 0.00 55.73 54.24 2d9f s ARG 102 Cb 0.00 -2.07 -0.07 0.00 0.00 0.00 0.00 34.95 32.81 2d9f s ARG 102 CO 0.07 0.38 0.82 -1.13 0.00 0.00 0.00 175.30 175.44 2d9f n SER 103 N -0.47 0.24 -4.70 0.23 3.41 -1.26 -3.17 113.62 107.90 2d9f n SER 103 Ca -0.08 0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 2d9f n SER 103 Cb 0.58 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2d9f n SER 103 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2d9f s PRO 104 N 2.39 4.31 0.44 4.33 0.04 -1.26 -5.14 135.00 140.12 2d9f s PRO 104 Ca 0.45 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 63.29 2d9f s PRO 104 Cb -0.53 -3.40 -0.09 0.00 0.04 0.00 0.00 34.50 30.53 2d9f s PRO 104 CO 0.23 -0.49 1.05 -0.47 0.04 0.00 0.00 177.00 177.36 2d9f s TYR 105 N 1.67 3.11 -0.04 0.56 6.14 -1.19 -4.81 117.35 122.80 2d9f s TYR 105 Ca 0.64 1.61 -0.03 0.00 0.64 0.00 0.00 57.07 59.93 2d9f s TYR 105 Cb -0.34 -3.12 0.01 0.00 0.42 0.00 0.00 41.96 38.93 2d9f s TYR 105 CO 0.29 -0.79 0.09 0.96 0.64 0.00 0.00 175.55 176.75 2d9f s ILE 106 N -1.79 -0.00 0.47 3.14 -5.25 -1.25 -4.93 121.20 111.58 2d9f s ILE 106 Ca 0.63 0.02 -0.22 0.00 -0.99 0.00 0.00 60.65 60.08 2d9f s ILE 106 Cb -0.20 -0.14 -0.07 0.00 2.95 0.00 0.00 42.46 45.00 2d9f s ILE 106 CO 0.25 0.01 1.16 -2.16 -1.79 0.00 0.00 174.94 172.40 2d9f s PRO 107 N 0.14 3.70 0.70 0.37 0.04 -1.26 -2.79 135.00 135.90 2d9f s PRO 107 Ca -0.01 1.76 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 2d9f s PRO 107 Cb -0.02 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.19 2d9f s PRO 107 CO -0.00 -0.59 1.10 -1.25 0.04 0.00 0.00 177.00 176.30 2d9f s PRO 108 N -2.78 2.61 -1.00 0.56 0.04 -1.26 -3.19 135.00 129.99 2d9f s PRO 108 Ca 0.65 1.31 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2d9f s PRO 108 Cb -0.28 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2d9f s PRO 108 CO 0.34 -1.39 0.00 0.72 0.04 0.00 0.00 177.00 176.71 2d9f n HIS 109 N -2.81 -1.05 -3.69 0.56 8.25 -1.26 -4.90 115.22 110.33 2d9f n HIS 109 Ca 0.10 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.17 2d9f n HIS 109 Cb 0.52 -2.39 -0.12 0.00 1.12 0.00 0.00 29.99 29.13 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 -2.24 3.15 0.96 -1.41 0.00 -1.19 -4.72 121.76 116.30 2d9f s ALA 110 Ca 0.00 -1.88 -0.12 0.00 0.00 0.00 0.00 51.96 49.96 2d9f s ALA 110 Cb 0.00 -2.43 0.07 0.00 0.00 0.00 0.00 23.12 20.77 2d9f s ALA 110 CO 0.00 -1.45 0.59 0.00 0.00 0.00 0.00 175.76 174.90 2d9f n ALA 111 N 4.86 -2.23 -3.63 0.00 0.00 -1.26 -3.80 120.51 114.45 2d9f n ALA 111 Ca -0.11 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.57 2d9f n ALA 111 Cb 0.44 -1.89 -0.12 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.63 0.22 -0.21 0.00 1.43 -1.24 -3.64 118.68 112.60 2d9f s LEU 112 Ca 0.60 0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 54.15 2d9f s LEU 112 Cb -0.21 1.09 -0.00 0.00 0.03 0.00 0.00 46.19 47.10 2d9f s LEU 112 CO 0.65 -0.17 0.92 0.00 0.23 0.00 0.00 176.35 177.98 2d9f s LEU 114 N 2.77 1.85 -0.41 0.00 1.43 -0.82 -2.40 118.68 121.10 2d9f s LEU 114 Ca 0.40 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2d9f s LEU 114 Cb -0.16 -1.13 0.09 0.00 0.03 0.00 0.00 46.19 45.03 2d9f s LEU 114 CO 0.09 0.08 0.23 -0.70 0.23 0.00 0.00 176.35 176.27 2d9f s GLU 115 N 0.62 2.43 0.07 1.70 2.12 -1.25 -0.05 118.70 124.34 2d9f s GLU 115 Ca -0.14 -1.56 -0.17 0.00 0.36 0.00 0.00 54.97 53.46 2d9f s GLU 115 Cb -0.16 -3.69 -0.06 0.00 0.26 0.00 0.00 34.13 30.47 2d9f s GLU 115 CO 0.04 -0.97 0.52 0.08 -0.54 0.00 0.00 175.26 174.39 2d9f s VAL 116 N 1.33 4.85 -0.25 3.70 1.01 0.53 -3.97 120.40 127.61 2d9f s VAL 116 Ca 0.04 1.01 -0.03 0.00 0.00 0.00 0.00 61.98 63.00 2d9f s VAL 116 Cb -0.23 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.46 2d9f s VAL 116 CO -0.00 0.48 0.25 -0.89 0.00 0.00 0.00 175.10 174.93 2d9f s THR 117 N -1.20 -0.34 -0.21 3.92 2.01 -1.21 -0.29 115.64 118.33 2d9f s THR 117 Ca 0.30 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.68 2d9f s THR 117 Cb -0.18 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2d9f s THR 117 CO 0.18 -0.36 1.70 -0.22 -0.69 0.00 0.00 174.62 175.22 2d9f s LEU 118 N 2.32 3.88 -0.16 4.42 1.98 -1.18 -2.97 118.68 126.98 2d9f s LEU 118 Ca 0.08 1.70 -0.13 0.00 -2.89 0.00 0.00 54.13 52.89 2d9f s LEU 118 Cb -0.15 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.13 2d9f s LEU 118 CO -0.23 -1.32 -0.26 0.29 -1.89 0.00 0.00 176.35 172.94 2d9f n LYS 119 N 7.77 0.48 -3.67 1.98 4.76 -1.07 -0.03 118.16 128.39 2d9f n LYS 119 Ca 0.20 0.37 -0.14 0.00 -2.87 0.00 0.00 58.31 55.86 2d9f n LYS 119 Cb 0.45 -1.55 -0.07 0.00 -1.84 0.00 0.00 35.03 32.02 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 -2.55 0.04 -0.21 -0.18 -4.23 -1.20 -4.41 115.64 102.90 2d9f s THR 120 Ca -0.21 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 59.92 2d9f s THR 120 Cb 0.03 -0.83 0.06 0.00 1.34 0.00 0.00 72.50 73.10 2d9f s THR 120 CO 0.32 -0.20 0.00 0.00 -0.54 0.00 0.00 174.62 174.20 2d9f s ALA 121 N -1.76 1.37 0.27 3.99 0.00 -1.26 -1.81 121.76 122.56 2d9f s ALA 121 Ca -0.10 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.94 2d9f s ALA 121 Cb -0.02 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.76 2d9f s ALA 121 CO 0.03 -1.19 0.04 0.14 0.00 0.00 0.00 175.76 174.79 2d9f s VAL 122 N 1.68 0.95 0.02 0.00 -7.23 -0.55 -4.95 120.40 110.31 2d9f s VAL 122 Ca -0.03 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.09 2d9f s VAL 122 Cb -0.18 -2.57 -0.28 0.00 0.56 0.00 0.00 36.38 33.91 2d9f s VAL 122 CO -0.07 -0.13 0.91 -0.78 -0.31 0.00 0.00 175.10 174.72 2d9f h ASP 123 N 2.33 0.41 -4.17 4.85 3.58 -1.95 0.44 116.42 121.92 2d9f h ASP 123 Ca -0.39 -0.54 -0.47 0.00 0.42 0.00 0.00 57.03 56.05 2d9f h ASP 123 Cb 1.24 -0.13 0.02 0.00 1.72 0.00 0.00 39.33 42.18 2d9f h ASP 123 CO 0.65 1.44 0.37 0.00 -2.88 0.00 0.00 179.24 178.83 2d9f s ARG 124 N -2.62 3.84 0.80 0.28 1.70 -1.26 -4.46 118.95 117.22 2d9f s ARG 124 Ca -0.08 1.05 -0.11 0.00 -0.47 0.00 0.00 55.73 56.12 2d9f s ARG 124 Cb 0.07 -2.12 0.07 0.00 -0.57 0.00 0.00 34.95 32.40 2d9f s ARG 124 CO 0.86 -0.37 1.09 -1.25 -1.08 0.00 0.00 175.30 174.55 2d9f s PRO 125 N -3.93 2.07 -0.05 3.89 0.04 -1.26 -4.80 135.00 130.95 2d9f s PRO 125 Ca 0.61 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.77 2d9f s PRO 125 Cb -0.11 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2d9f s PRO 125 CO 0.30 -1.76 -0.03 -3.47 0.04 0.00 0.00 177.00 172.08 2d9f n ASP 126 N -3.59 3.68 -4.33 6.66 2.03 -1.26 -4.92 116.55 114.83 2d9f n ASP 126 Ca 0.09 -0.02 -0.46 0.00 0.52 0.00 0.00 54.79 54.92 2d9f n ASP 126 Cb 0.53 0.13 -0.05 0.00 -0.72 0.00 0.00 41.12 41.02 2d9f n ASP 126 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2d9f s LEU 127 N -5.00 6.07 -0.31 -2.67 2.96 -1.26 -5.03 118.68 113.44 2d9f s LEU 127 Ca -0.06 -1.81 -0.29 0.00 -0.22 0.00 0.00 54.13 51.75 2d9f s LEU 127 Cb 0.02 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2d9f s LEU 127 CO 0.14 -0.89 1.51 -0.70 -1.32 0.00 0.00 176.35 175.10 2d9f s GLU 128 N 1.69 3.70 -0.11 1.98 2.12 -1.26 -4.98 118.70 121.85 2d9f s GLU 128 Ca 0.07 1.34 -0.01 0.00 0.36 0.00 0.00 54.97 56.72 2d9f s GLU 128 Cb -0.26 -4.02 0.03 0.00 0.26 0.00 0.00 34.13 30.14 2d9f s GLU 128 CO 0.02 -1.40 -0.03 1.41 -0.54 0.00 0.00 175.26 174.73 2d9f s MET 129 N 4.75 1.02 0.04 4.30 1.75 -1.26 -5.14 119.30 124.76 2d9f s MET 129 Ca 0.66 -0.13 0.02 0.00 -1.25 0.00 0.00 55.69 54.99 2d9f s MET 129 Cb -0.20 -1.40 -0.04 0.00 2.84 0.00 0.00 34.83 36.04 2d9f s MET 129 CO 0.29 -0.33 0.06 0.45 -0.65 0.00 0.00 175.02 174.83 2d9f s SER 130 N 1.84 5.44 0.00 1.11 0.15 -1.26 -5.01 113.70 115.97 2d9f s SER 130 Ca 0.04 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2d9f s SER 130 Cb -0.13 -1.47 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 2d9f s SER 130 CO -0.07 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2d9f n GLY 131 N 0.88 0.58 3.77 9.45 0.00 -1.26 -5.15 105.19 113.46 2d9f n GLY 131 Ca -0.11 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 2.92 0.71 1.61 0.04 -1.26 -5.06 135.00 133.97 2d9f s PRO 132 Ca 0.00 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 2d9f s PRO 132 Cb 0.00 -1.96 0.12 0.00 0.04 0.00 0.00 34.50 32.70 2d9f s PRO 132 CO 0.00 -1.16 0.99 -1.12 0.04 0.00 0.00 177.00 175.75 2d9f s SER 133 N -2.41 4.39 -0.16 6.66 0.01 -1.26 -5.12 113.70 115.82 2d9f s SER 133 Ca 0.68 -0.34 -0.06 0.00 1.31 0.00 0.00 55.95 57.55 2d9f s SER 133 Cb -0.21 -0.07 0.07 0.00 0.21 0.00 0.00 66.02 66.02 2d9f s SER 133 CO 0.38 -1.83 0.32 -0.94 0.41 0.00 0.00 173.24 171.58 2d9f s SER 134 N -4.72 0.11 0.00 2.44 1.04 -1.26 -5.36 113.70 105.95 2d9f s SER 134 Ca 0.66 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2d9f s SER 134 Cb -0.06 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2d9f s SER 134 CO 0.44 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.03