#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8m s SER 2 N 0.00 4.84 -0.24 1.61 0.15 -1.26 -5.04 113.70 113.76 2d8m s SER 2 Ca 0.00 2.49 -0.11 0.00 0.70 0.00 0.00 55.95 59.02 2d8m s SER 2 Cb 0.00 -2.61 0.09 0.00 -1.71 0.00 0.00 66.02 61.79 2d8m s SER 2 CO 0.00 -1.84 0.56 -0.44 1.20 0.00 0.00 173.24 172.73 2d8m s SER 3 N -1.55 -0.76 0.00 5.45 0.01 -1.26 -5.15 113.70 110.44 2d8m s SER 3 Ca 0.79 1.29 0.00 0.00 1.31 0.00 0.00 55.95 59.34 2d8m s SER 3 Cb -0.33 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.35 2d8m s SER 3 CO 0.37 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2d8m n GLY 4 N 4.78 1.81 3.30 3.44 0.00 -1.26 -5.14 105.19 112.12 2d8m n GLY 4 Ca -0.17 0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2d8m n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8m s SER 5 N 0.00 4.87 0.19 1.61 1.04 -1.26 -4.99 113.70 115.16 2d8m s SER 5 Ca 0.00 -0.77 -0.13 0.00 0.48 0.00 0.00 55.95 55.53 2d8m s SER 5 Cb 0.00 -1.81 0.22 0.00 0.10 0.00 0.00 66.02 64.53 2d8m s SER 5 CO 0.00 -0.17 1.67 0.28 0.98 0.00 0.00 173.24 176.00 2d8m h SER 6 N 8.16 -0.28 0.00 7.02 0.02 -2.08 -3.45 113.55 122.95 2d8m h SER 6 Ca -0.31 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2d8m h SER 6 Cb 1.12 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2d8m h SER 6 CO 0.59 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.79 2d8m n GLY 7 N -1.34 -0.56 3.61 -3.77 0.00 -1.26 -5.14 105.19 96.73 2d8m n GLY 7 Ca 0.06 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2d8m n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d8m n GLU 8 N 0.00 0.99 -1.15 1.61 4.71 -1.26 -4.98 120.64 120.57 2d8m n GLU 8 Ca 0.00 0.38 -0.29 0.00 -0.01 0.00 0.00 57.16 57.24 2d8m n GLU 8 Cb 0.00 -2.15 0.19 0.00 -1.01 0.00 0.00 31.44 28.47 2d8m n GLU 8 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2d8m s PRO 9 N -2.62 0.11 -0.41 3.49 0.04 -1.26 -5.01 135.00 129.33 2d8m s PRO 9 Ca 0.73 0.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.07 2d8m s PRO 9 Cb -0.44 -1.71 0.05 0.00 0.04 0.00 0.00 34.50 32.44 2d8m s PRO 9 CO 0.49 -2.93 0.27 -0.98 0.04 0.00 0.00 177.00 173.89 2d8m s ARG 10 N -5.02 2.82 -0.11 4.56 3.03 -1.26 -5.07 118.95 117.90 2d8m s ARG 10 Ca 0.66 -1.20 -0.13 0.00 2.03 0.00 0.00 55.73 57.09 2d8m s ARG 10 Cb -0.18 -3.85 -0.05 0.00 -1.03 0.00 0.00 34.95 29.84 2d8m s ARG 10 CO 0.58 -0.82 0.30 0.50 -1.13 0.00 0.00 175.30 174.72 2d8m s ARG 11 N 1.56 4.03 0.49 3.89 6.06 -1.26 -4.97 118.95 128.74 2d8m s ARG 11 Ca 0.03 0.14 0.32 0.00 -2.50 0.00 0.00 55.73 53.72 2d8m s ARG 11 Cb -0.21 -3.33 1.32 0.00 0.06 0.00 0.00 34.95 32.79 2d8m s ARG 11 CO 0.06 0.45 1.93 -1.00 -2.50 0.00 0.00 175.30 174.24 2d8m h PRO 12 N 5.88 0.00 -6.16 5.12 0.13 -2.05 -3.45 132.00 131.47 2d8m h PRO 12 Ca -0.46 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.32 2d8m h PRO 12 Cb 1.19 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.51 2d8m h PRO 12 CO 0.69 0.00 -1.18 0.54 -0.23 0.00 0.00 178.00 177.82 2d8m n ARG 13 N -2.89 -1.27 -0.44 0.86 5.12 -1.26 -4.77 116.66 112.02 2d8m n ARG 13 Ca 0.01 -0.37 -0.07 0.00 -1.93 0.00 0.00 57.85 55.49 2d8m n ARG 13 Cb 0.28 -1.39 0.04 0.00 -1.16 0.00 0.00 32.46 30.23 2d8m n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2d8m n ALA 14 N -4.06 3.71 -1.35 7.54 0.00 -1.26 -4.96 120.51 120.12 2d8m n ALA 14 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2d8m n ALA 14 Cb 0.52 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2d8m n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8m n GLY 15 N 0.34 -4.09 0.00 0.00 0.00 -1.26 -4.22 105.19 95.97 2d8m n GLY 15 Ca 0.15 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.39 2d8m n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8m n PRO 16 N -1.86 0.41 0.06 1.61 -0.04 -1.26 -3.60 135.00 130.32 2d8m n PRO 16 Ca 0.00 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 2d8m n PRO 16 Cb 0.25 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 2d8m n PRO 16 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2d8m h GLU 17 N 0.00 -0.17 -0.83 0.54 4.57 -1.90 -0.43 114.58 116.35 2d8m h GLU 17 Ca 0.00 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 2d8m h GLU 17 Cb 0.04 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.57 2d8m h GLU 17 CO 0.00 -0.11 -0.49 0.39 -1.18 0.00 0.00 179.01 177.62 2d8m n GLU 18 N -3.06 -0.37 -0.07 1.92 -0.58 -1.24 -0.25 120.64 117.01 2d8m n GLU 18 Ca -0.02 1.30 -0.10 0.00 -0.42 0.00 0.00 57.16 57.92 2d8m n GLU 18 Cb 0.07 -1.91 -0.03 0.00 -0.57 0.00 0.00 31.44 29.00 2d8m n GLU 18 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2d8m h LEU 19 N 0.00 0.30 -0.96 -4.62 4.07 -1.74 -1.87 115.31 110.49 2d8m h LEU 19 Ca 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2d8m h LEU 19 Cb 0.34 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2d8m h LEU 19 CO -0.78 0.31 0.28 1.23 -1.08 0.00 0.00 178.44 178.40 2d8m h GLY 20 N 0.26 0.00 0.00 0.83 0.00 0.21 0.72 103.07 105.09 2d8m h GLY 20 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2d8m h GLY 20 CO -0.01 0.00 -1.92 0.28 0.00 0.00 0.00 176.54 174.89 2d8m n LYS 21 N -2.11 0.61 0.38 4.80 4.76 -0.22 -3.88 118.16 122.50 2d8m n LYS 21 Ca -0.01 -0.18 -0.17 0.00 -2.87 0.00 0.00 58.31 55.08 2d8m n LYS 21 Cb 0.31 -1.51 -0.08 0.00 -1.84 0.00 0.00 35.03 31.90 2d8m n LYS 21 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2d8m h ILE 22 N 0.00 0.18 -1.67 -0.18 2.04 0.77 -3.29 117.51 115.37 2d8m h ILE 22 Ca 0.00 -0.20 -0.67 0.00 1.00 0.00 0.00 64.86 64.99 2d8m h ILE 22 Cb 0.96 0.22 -0.35 0.00 -0.74 0.00 0.00 36.82 36.91 2d8m h ILE 22 CO 0.00 0.02 0.13 0.18 0.00 0.00 0.00 178.15 178.47 2d8m n LEU 23 N -5.45 6.10 -4.64 1.44 4.77 0.63 -4.79 117.00 115.06 2d8m n LEU 23 Ca -0.13 -4.99 -0.43 0.00 -0.03 0.00 0.00 56.01 50.43 2d8m n LEU 23 Cb 0.40 -0.74 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2d8m n LEU 23 CO 0.34 1.99 1.25 -1.58 -1.33 0.00 0.00 177.39 178.06 2d8m s GLN 24 N -3.79 3.98 0.00 3.23 -0.44 -1.23 -2.80 119.66 118.61 2d8m s GLN 24 Ca 0.51 1.64 0.00 0.00 -2.50 0.00 0.00 55.36 55.01 2d8m s GLN 24 Cb 0.42 -3.93 0.00 0.00 -1.64 0.00 0.00 33.01 27.87 2d8m s GLN 24 CO -0.27 -1.05 0.00 0.41 0.50 0.00 0.00 175.29 174.88 2d8m n GLY 25 N 4.25 0.57 3.44 2.59 0.00 -1.25 -5.07 105.19 109.73 2d8m n GLY 25 Ca 0.16 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2d8m n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d8m s VAL 26 N -2.18 2.65 -0.19 1.61 1.01 -1.12 -5.06 120.40 117.12 2d8m s VAL 26 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 61.98 60.63 2d8m s VAL 26 Cb 0.00 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.26 2d8m s VAL 26 CO 0.00 0.26 -0.18 -0.69 0.00 0.00 0.00 175.10 174.49 2d8m s VAL 27 N -0.98 2.19 0.06 2.92 1.01 -1.26 -0.26 120.40 124.09 2d8m s VAL 27 Ca 0.15 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.27 2d8m s VAL 27 Cb -0.10 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2d8m s VAL 27 CO 0.06 0.50 -0.18 0.68 0.00 0.00 0.00 175.10 176.15 2d8m s VAL 28 N 1.30 2.79 -0.13 2.92 -7.23 0.13 -2.00 120.40 118.17 2d8m s VAL 28 Ca 0.04 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.97 2d8m s VAL 28 Cb -0.14 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.62 2d8m s VAL 28 CO -0.12 0.28 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.05 2d8m s VAL 29 N -0.98 2.01 -0.29 1.32 1.01 -1.18 -2.53 120.40 119.75 2d8m s VAL 29 Ca 0.15 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 2d8m s VAL 29 Cb -0.10 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2d8m s VAL 29 CO 0.06 0.54 0.93 -0.76 0.00 0.00 0.00 175.10 175.87 2d8m s LEU 30 N 0.75 4.03 0.16 3.92 1.43 -1.25 -1.89 118.68 125.83 2d8m s LEU 30 Ca -0.09 0.93 0.09 0.00 -1.03 0.00 0.00 54.13 54.03 2d8m s LEU 30 Cb -0.16 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2d8m s LEU 30 CO -0.00 -0.71 -0.20 -0.55 0.23 0.00 0.00 176.35 175.12 2d8m s SER 31 N 1.55 2.79 -1.40 2.29 0.15 -0.89 -4.80 113.70 113.38 2d8m s SER 31 Ca 0.39 -0.82 -0.11 0.00 0.70 0.00 0.00 55.95 56.10 2d8m s SER 31 Cb -0.14 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2d8m s SER 31 CO 0.12 0.01 0.22 0.61 1.20 0.00 0.00 173.24 175.40 2d8m n GLY 32 N 0.47 -0.34 3.30 9.45 0.00 -1.26 -3.66 105.19 113.15 2d8m n GLY 32 Ca -0.15 0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2d8m n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2d8m s PHE 33 N -4.09 1.84 -0.02 1.61 0.08 -1.26 -4.44 117.98 111.70 2d8m s PHE 33 Ca 0.16 -0.42 -0.01 0.00 0.12 0.00 0.00 56.93 56.78 2d8m s PHE 33 Cb -0.09 -1.00 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 2d8m s PHE 33 CO 0.96 0.23 0.04 -1.14 -0.10 0.00 0.00 175.22 175.21 2d8m s GLN 34 N -1.97 0.02 0.84 0.44 0.74 -1.26 -4.89 119.66 113.58 2d8m s GLN 34 Ca 0.08 0.11 -0.10 0.00 0.05 0.00 0.00 55.36 55.50 2d8m s GLN 34 Cb -0.10 -0.08 0.10 0.00 1.10 0.00 0.00 33.01 34.03 2d8m s GLN 34 CO 0.05 -0.07 1.11 0.54 -0.55 0.00 0.00 175.29 176.37 2d8m s ASN 35 N 0.43 3.73 0.38 6.67 2.20 -1.26 -1.50 114.94 125.59 2d8m s ASN 35 Ca -0.03 1.95 0.17 0.00 -0.94 0.00 0.00 52.86 54.01 2d8m s ASN 35 Cb -0.05 -2.52 0.77 0.00 -2.00 0.00 0.00 41.25 37.45 2d8m s ASN 35 CO -0.01 -2.55 1.79 1.55 -2.94 0.00 0.00 177.10 174.94 2d8m h PRO 36 N -1.48 0.00 -0.77 3.55 0.13 -2.01 -3.44 132.00 127.98 2d8m h PRO 36 Ca -0.44 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.85 2d8m h PRO 36 Cb 1.25 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 2d8m h PRO 36 CO 0.48 0.37 -0.19 0.34 -0.23 0.00 0.00 178.00 178.76 2d8m n PHE 37 N -3.74 0.28 0.01 1.56 7.35 -1.10 0.91 117.46 122.73 2d8m n PHE 37 Ca -0.01 0.94 -0.10 0.00 -0.76 0.00 0.00 57.45 57.52 2d8m n PHE 37 Cb 0.45 -0.95 -0.03 0.00 0.35 0.00 0.00 39.48 39.30 2d8m n PHE 37 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2d8m h ARG 38 N 0.00 -0.30 -0.33 -4.13 2.43 -1.55 0.15 114.38 110.65 2d8m h ARG 38 Ca 0.37 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.59 2d8m h ARG 38 Cb 0.57 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 2d8m h ARG 38 CO -0.79 -0.20 0.13 0.66 -1.51 0.00 0.00 179.97 178.26 2d8m h SER 39 N -0.31 0.16 0.14 -3.80 4.64 0.23 0.25 113.55 114.85 2d8m h SER 39 Ca 0.09 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 2d8m h SER 39 Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 2d8m h SER 39 CO -0.29 0.13 -0.19 -0.08 -0.87 0.00 0.00 176.83 175.53 2d8m h GLU 40 N 0.28 -0.36 -0.54 4.77 4.57 -0.55 -1.84 114.58 120.91 2d8m h GLU 40 Ca 0.14 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2d8m h GLU 40 Cb 0.10 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2d8m h GLU 40 CO -0.13 -0.24 0.33 1.25 -1.18 0.00 0.00 179.01 179.03 2d8m h LEU 41 N -0.38 0.64 -0.74 1.64 5.85 -0.49 -2.59 115.31 119.25 2d8m h LEU 41 Ca 0.02 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.82 2d8m h LEU 41 Cb 0.38 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 2d8m h LEU 41 CO -0.08 0.50 0.30 -0.09 -0.34 0.00 0.00 178.44 178.73 2d8m h ARG 42 N 0.72 0.44 0.61 1.25 1.12 -0.21 -1.54 114.38 116.77 2d8m h ARG 42 Ca 0.19 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 59.01 2d8m h ARG 42 Cb -0.02 -0.10 0.01 0.00 -0.01 0.00 0.00 29.97 29.84 2d8m h ARG 42 CO -0.04 0.29 -0.29 0.22 -3.11 0.00 0.00 179.97 177.04 2d8m h ASP 43 N 0.45 -0.69 -0.55 -3.80 1.82 -0.96 -2.75 116.42 109.95 2d8m h ASP 43 Ca 0.40 0.02 0.11 0.00 -0.39 0.00 0.00 57.03 57.17 2d8m h ASP 43 Cb 0.59 0.18 -0.11 0.00 0.68 0.00 0.00 39.33 40.67 2d8m h ASP 43 CO -0.39 -0.49 -0.20 0.11 -1.61 0.00 0.00 179.24 176.66 2d8m h LYS 44 N -0.81 -0.07 -0.95 0.28 1.57 -1.14 0.27 116.57 115.72 2d8m h LYS 44 Ca -0.08 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 58.92 2d8m h LYS 44 Cb 0.62 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.87 2d8m h LYS 44 CO 0.14 -0.04 0.62 0.00 -0.57 0.00 0.00 179.45 179.59 2d8m h ALA 45 N 1.37 2.14 -0.13 3.86 0.00 -1.18 -0.64 119.26 124.68 2d8m h ALA 45 Ca 0.26 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2d8m h ALA 45 Cb 0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2d8m h ALA 45 CO -0.60 -0.46 -0.15 -0.07 0.00 0.00 0.00 179.25 177.97 2d8m h LEU 46 N 0.46 0.36 -0.73 0.00 3.38 -0.20 -1.43 115.31 117.15 2d8m h LEU 46 Ca 0.51 -0.49 0.14 0.00 0.09 0.00 0.00 57.88 58.13 2d8m h LEU 46 Cb 1.20 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 2d8m h LEU 46 CO -0.23 0.78 0.25 -0.33 0.09 0.00 0.00 178.44 179.00 2d8m h GLU 47 N -0.06 0.37 0.00 1.13 4.39 -0.15 0.58 114.58 120.85 2d8m h GLU 47 Ca 0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2d8m h GLU 47 Cb 0.69 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2d8m h GLU 47 CO 0.04 0.25 0.00 -0.07 -1.16 0.00 0.00 179.01 178.06 2d8m h LEU 48 N 0.39 0.00 -0.02 1.33 3.38 -1.43 0.10 115.31 119.07 2d8m h LEU 48 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2d8m h LEU 48 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2d8m h LEU 48 CO -0.42 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.72 2d8m n GLY 49 N -0.56 1.37 3.90 0.83 0.00 0.20 -0.27 105.19 110.66 2d8m n GLY 49 Ca -0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2d8m n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d8m s ALA 50 N -2.02 3.90 -0.22 4.61 0.00 -0.54 -3.79 121.76 123.69 2d8m s ALA 50 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 2d8m s ALA 50 Cb 0.00 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 2d8m s ALA 50 CO 0.00 0.68 0.51 0.15 0.00 0.00 0.00 175.76 177.10 2d8m s LYS 51 N -2.81 4.14 -0.44 0.00 1.02 0.64 -4.33 119.74 117.96 2d8m s LYS 51 Ca 0.34 0.37 -0.17 0.00 0.02 0.00 0.00 55.97 56.52 2d8m s LYS 51 Cb -0.12 -3.59 0.04 0.00 -0.52 0.00 0.00 37.83 33.63 2d8m s LYS 51 CO 0.27 -0.22 0.44 -0.47 -0.92 0.00 0.00 175.35 174.45 2d8m s TYR 52 N 1.87 3.17 -0.04 3.18 5.04 -1.24 0.18 117.35 129.51 2d8m s TYR 52 Ca 0.23 -0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 54.33 2d8m s TYR 52 Cb -0.15 -3.00 -0.04 0.00 0.35 0.00 0.00 41.96 39.12 2d8m s TYR 52 CO 0.09 -0.75 0.05 1.03 -1.34 0.00 0.00 175.55 174.63 2d8m s ARG 53 N 2.07 3.04 0.54 4.97 1.81 -1.05 -5.00 118.95 125.34 2d8m s ARG 53 Ca 0.10 -0.44 0.33 0.00 -1.72 0.00 0.00 55.73 54.00 2d8m s ARG 53 Cb -0.19 -2.85 1.37 0.00 -0.45 0.00 0.00 34.95 32.83 2d8m s ARG 53 CO 0.12 0.67 1.99 -1.00 -0.68 0.00 0.00 175.30 176.40 2d8m h PRO 54 N 4.51 0.00 -3.96 3.54 0.13 -1.92 -3.33 132.00 130.98 2d8m h PRO 54 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.52 2d8m h PRO 54 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 2d8m h PRO 54 CO 0.59 0.03 -0.51 0.16 -0.23 0.00 0.00 178.00 178.04 2d8m s ASP 55 N -5.74 0.26 -0.39 1.44 1.47 -1.26 -4.94 116.67 107.51 2d8m s ASP 55 Ca 0.01 -0.75 -0.29 0.00 1.18 0.00 0.00 52.55 52.70 2d8m s ASP 55 Cb 0.09 0.27 -0.08 0.00 -0.34 0.00 0.00 42.92 42.87 2d8m s ASP 55 CO 0.55 -0.64 2.33 1.87 0.68 0.00 0.00 175.17 179.95 2d8m n TRP 56 N 0.15 1.61 -2.60 2.11 -0.00 -1.26 -4.94 117.44 112.51 2d8m n TRP 56 Ca -0.15 0.07 -0.22 0.00 -0.00 0.00 0.00 57.50 57.20 2d8m n TRP 56 Cb 0.61 -2.64 0.04 0.00 -0.00 0.00 0.00 31.31 29.32 2d8m n TRP 56 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2d8m s THR 57 N 9.77 2.60 -1.84 5.87 -4.23 -1.26 -4.98 115.64 121.58 2d8m s THR 57 Ca 1.03 -0.63 0.28 0.00 -1.18 0.00 0.00 61.69 61.20 2d8m s THR 57 Cb -0.41 -2.97 0.72 0.00 1.34 0.00 0.00 72.50 71.18 2d8m s THR 57 CO 0.35 0.00 2.02 -2.11 -0.54 0.00 0.00 174.62 174.34 2d8m n ARG 58 N -2.42 0.76 0.00 3.99 1.85 -1.26 -2.64 116.66 116.93 2d8m n ARG 58 Ca 0.08 0.01 0.06 0.00 -1.00 0.00 0.00 57.85 57.00 2d8m n ARG 58 Cb 0.60 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.47 2d8m n ARG 58 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2d8m n ASP 59 N -1.08 1.00 -4.69 2.89 2.03 -1.26 -4.99 116.55 110.44 2d8m n ASP 59 Ca 0.19 -1.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.08 2d8m n ASP 59 Cb 0.13 0.74 -0.03 0.00 -0.72 0.00 0.00 41.12 41.24 2d8m n ASP 59 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2d8m n SER 60 N -0.74 4.04 -0.06 1.67 7.64 -1.08 -4.48 113.62 120.61 2d8m n SER 60 Ca 0.04 0.99 -0.06 0.00 1.01 0.00 0.00 58.87 60.85 2d8m n SER 60 Cb 0.23 -1.55 -0.09 0.00 -1.01 0.00 0.00 64.21 61.79 2d8m n SER 60 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2d8m n THR 61 N 4.66 0.82 -4.01 0.44 -2.24 -0.85 -4.92 114.28 108.18 2d8m n THR 61 Ca 0.18 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.27 2d8m n THR 61 Cb 0.37 -0.72 -0.17 0.00 -2.10 0.00 0.00 70.33 67.72 2d8m n THR 61 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2d8m s HIS 62 N -2.29 0.67 -0.27 4.78 3.76 -0.94 -4.22 115.29 116.78 2d8m s HIS 62 Ca -0.07 -0.17 -0.15 0.00 -0.15 0.00 0.00 55.06 54.52 2d8m s HIS 62 Cb 0.04 -0.68 -0.04 0.00 1.11 0.00 0.00 32.58 33.01 2d8m s HIS 62 CO 0.47 -0.23 0.38 -1.17 -0.85 0.00 0.00 174.74 173.34 2d8m s LEU 63 N 1.25 4.04 -0.86 0.89 2.96 -0.53 -3.12 118.68 123.32 2d8m s LEU 63 Ca -0.06 0.30 -0.17 0.00 -0.22 0.00 0.00 54.13 53.98 2d8m s LEU 63 Cb -0.14 -2.43 0.16 0.00 0.50 0.00 0.00 46.19 44.28 2d8m s LEU 63 CO -0.02 -0.18 0.96 -0.63 -1.32 0.00 0.00 176.35 175.16 2d8m s ILE 64 N 2.04 5.01 0.08 6.68 -1.09 -0.79 -1.75 121.20 131.38 2d8m s ILE 64 Ca 0.15 -1.77 -0.09 0.00 -2.23 0.00 0.00 60.65 56.70 2d8m s ILE 64 Cb -0.16 -4.65 -0.06 0.00 -1.58 0.00 0.00 42.46 36.02 2d8m s ILE 64 CO 0.10 -1.31 0.39 0.00 -1.23 0.00 0.00 174.94 172.88 2d8m h ALA 66 N 3.69 -0.06 -2.89 0.00 0.00 -1.77 -3.29 119.26 114.92 2d8m h ALA 66 Ca -0.49 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 53.71 2d8m h ALA 66 Cb 1.19 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 2d8m h ALA 66 CO 0.67 0.48 0.25 -0.59 0.00 0.00 0.00 179.25 180.06 2d8m s PHE 67 N -2.70 -0.48 1.08 0.00 -0.12 -1.26 -4.93 117.98 109.58 2d8m s PHE 67 Ca -0.12 0.25 -0.18 0.00 -0.05 0.00 0.00 56.93 56.83 2d8m s PHE 67 Cb 0.03 0.57 0.27 0.00 -0.63 0.00 0.00 43.02 43.26 2d8m s PHE 67 CO 0.87 -0.84 0.84 0.00 -0.05 0.00 0.00 175.22 176.03 2d8m n ALA 68 N -0.37 -3.33 -3.51 1.99 0.00 -1.26 -4.35 120.51 109.68 2d8m n ALA 68 Ca -0.15 -1.31 -0.19 0.00 0.00 0.00 0.00 53.44 51.79 2d8m n ALA 68 Cb 0.64 -0.10 0.06 0.00 0.00 0.00 0.00 19.45 20.05 2d8m n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2d8m n ASN 69 N -4.81 -2.57 -4.29 0.00 3.02 -1.26 -5.01 115.26 100.33 2d8m n ASN 69 Ca 0.12 -0.72 -0.18 0.00 -0.03 0.00 0.00 54.58 53.76 2d8m n ASN 69 Cb 0.49 -4.68 -0.11 0.00 -0.61 0.00 0.00 39.78 34.87 2d8m n ASN 69 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2d8m s THR 70 N -3.48 1.54 -0.00 3.41 -4.23 -1.26 -5.03 115.64 106.59 2d8m s THR 70 Ca 0.09 -1.97 0.32 0.00 -1.18 0.00 0.00 61.69 58.95 2d8m s THR 70 Cb -0.02 -1.81 0.36 0.00 1.34 0.00 0.00 72.50 72.38 2d8m s THR 70 CO 0.77 -0.50 1.94 1.55 -0.54 0.00 0.00 174.62 177.84 2d8m h PRO 71 N 3.05 0.00 0.01 3.99 0.13 -1.95 -2.98 132.00 134.25 2d8m h PRO 71 Ca -0.39 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.40 2d8m h PRO 71 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2d8m h PRO 71 CO 0.56 0.00 -2.02 1.63 -0.23 0.00 0.00 178.00 177.94 2d8m n LYS 72 N -2.90 0.67 0.34 0.86 4.76 -1.26 -3.63 118.16 116.99 2d8m n LYS 72 Ca 0.01 0.18 -0.18 0.00 -2.87 0.00 0.00 58.31 55.45 2d8m n LYS 72 Cb 0.28 -1.67 -0.09 0.00 -1.84 0.00 0.00 35.03 31.70 2d8m n LYS 72 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2d8m h TYR 73 N 0.01 -1.19 -0.08 2.13 3.20 -1.88 -1.93 116.97 117.22 2d8m h TYR 73 Ca -0.41 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 2d8m h TYR 73 Cb 2.08 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 40.79 2d8m h TYR 73 CO 0.01 -0.64 0.04 1.03 -1.64 0.00 0.00 178.16 176.97 2d8m h SER 74 N -1.01 0.10 -0.69 -2.11 0.87 -1.77 -1.21 113.55 107.74 2d8m h SER 74 Ca -0.07 -0.10 0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2d8m h SER 74 Cb 0.84 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.66 2d8m h SER 74 CO 0.03 0.17 -0.51 -0.61 -0.53 0.00 0.00 176.83 175.39 2d8m h GLN 75 N 0.03 -0.18 0.00 2.24 5.75 -1.60 0.97 115.11 122.31 2d8m h GLN 75 Ca 0.03 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2d8m h GLN 75 Cb 0.10 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2d8m h GLN 75 CO -0.00 -0.12 0.00 0.28 -2.65 0.00 0.00 178.83 176.34 2d8m n VAL 76 N -5.36 0.79 0.02 2.39 0.31 -0.73 -2.76 118.33 112.99 2d8m n VAL 76 Ca 0.01 0.17 -0.12 0.00 -0.01 0.00 0.00 64.34 64.39 2d8m n VAL 76 Cb 0.33 -1.11 -0.09 0.00 -0.91 0.00 0.00 33.84 32.06 2d8m n VAL 76 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2d8m h LEU 77 N 0.00 -0.10 -0.59 7.52 6.46 0.22 -1.94 115.31 126.88 2d8m h LEU 77 Ca 0.00 -0.47 -0.11 0.00 -0.12 0.00 0.00 57.88 57.18 2d8m h LEU 77 Cb 0.41 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2d8m h LEU 77 CO 0.00 0.47 -0.09 1.23 -0.62 0.00 0.00 178.44 179.43 2d8m h GLY 78 N -0.72 1.12 0.39 3.75 0.00 -1.01 -3.06 103.07 103.54 2d8m h GLY 78 Ca -0.01 -0.88 0.11 0.00 0.00 0.00 0.00 47.33 46.54 2d8m h GLY 78 CO 0.02 0.81 0.38 1.41 0.00 0.00 0.00 176.54 179.15 2d8m h LEU 79 N 0.92 0.48 0.00 3.11 3.38 -1.61 -3.46 115.31 118.13 2d8m h LEU 79 Ca 0.15 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2d8m h LEU 79 Cb 0.65 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2d8m h LEU 79 CO 0.05 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2d8m n GLY 80 N -1.31 1.99 3.99 0.83 0.00 -1.15 -5.12 105.19 104.41 2d8m n GLY 80 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2d8m n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d8m s GLY 81 N -2.00 1.79 -0.49 -0.02 0.00 -0.74 -5.06 107.32 100.80 2d8m s GLY 81 Ca 0.00 -1.60 -0.17 0.00 0.00 0.00 0.00 44.72 42.95 2d8m s GLY 81 CO 0.00 -1.16 0.48 -1.60 0.00 0.00 0.00 173.10 170.83 2d8m s ARG 82 N -4.95 3.03 -0.38 2.90 3.52 -1.26 -4.83 118.95 116.99 2d8m s ARG 82 Ca 0.62 -1.18 -0.20 0.00 -0.13 0.00 0.00 55.73 54.85 2d8m s ARG 82 Cb -0.07 -4.12 0.01 0.00 -1.56 0.00 0.00 34.95 29.20 2d8m s ARG 82 CO 0.41 -1.10 0.60 0.42 -0.81 0.00 0.00 175.30 174.82 2d8m s ILE 83 N 2.02 4.91 0.09 4.11 1.01 -1.26 -1.45 121.20 130.64 2d8m s ILE 83 Ca 0.08 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.18 2d8m s ILE 83 Cb -0.22 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 2d8m s ILE 83 CO 0.09 -0.36 -0.16 0.68 0.00 0.00 0.00 174.94 175.18 2d8m s VAL 84 N 2.64 1.37 1.15 2.92 -7.23 -0.72 -0.59 120.40 119.95 2d8m s VAL 84 Ca 0.22 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.76 2d8m s VAL 84 Cb -0.15 -1.35 0.27 0.00 0.56 0.00 0.00 36.38 35.72 2d8m s VAL 84 CO 0.15 -0.21 1.04 -0.13 -0.31 0.00 0.00 175.10 175.64 2d8m s ARG 85 N -2.02 -0.79 0.38 4.82 0.52 -1.06 -3.11 118.95 117.69 2d8m s ARG 85 Ca 0.03 0.58 0.21 0.00 -0.52 0.00 0.00 55.73 56.03 2d8m s ARG 85 Cb -0.09 -1.59 0.49 0.00 0.52 0.00 0.00 34.95 34.28 2d8m s ARG 85 CO 0.03 -3.57 1.64 1.57 0.02 0.00 0.00 175.30 174.99 2d8m h LYS 86 N -2.50 0.00 -1.00 3.54 2.10 -1.90 -3.23 116.57 113.58 2d8m h LYS 86 Ca -0.58 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 58.29 2d8m h LYS 86 Cb 1.34 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.56 2d8m h LYS 86 CO 0.50 0.29 0.62 0.93 -2.00 0.00 0.00 179.45 179.79 2d8m h GLU 87 N 0.00 0.60 -0.90 0.07 4.39 -1.92 0.01 114.58 116.82 2d8m h GLU 87 Ca -0.00 -0.04 0.24 0.00 0.34 0.00 0.00 59.36 59.90 2d8m h GLU 87 Cb 1.04 -0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 29.42 2d8m h GLU 87 CO 0.04 0.39 0.36 2.35 -1.16 0.00 0.00 179.01 180.99 2d8m h TRP 88 N 0.61 0.57 0.31 4.33 7.01 -1.94 -0.99 115.95 125.86 2d8m h TRP 88 Ca 0.58 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.61 2d8m h TRP 88 Cb 1.11 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 2d8m h TRP 88 CO -0.00 -0.13 -0.15 0.28 -2.79 0.00 0.00 178.44 175.65 2d8m h VAL 89 N 0.31 0.20 0.00 2.65 2.07 -1.24 -2.85 116.25 117.40 2d8m h VAL 89 Ca 0.58 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2d8m h VAL 89 Cb 1.16 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2d8m h VAL 89 CO -0.59 0.05 0.00 0.18 0.02 0.00 0.00 177.57 177.23 2d8m n LEU 90 N -5.06 0.00 -0.28 2.57 4.77 -0.86 0.04 117.00 118.18 2d8m n LEU 90 Ca -0.06 0.93 0.07 0.00 -0.03 0.00 0.00 56.01 56.92 2d8m n LEU 90 Cb 0.21 -0.43 0.18 0.00 -2.33 0.00 0.00 43.42 41.05 2d8m n LEU 90 CO 0.17 -0.43 0.80 0.44 -1.33 0.00 0.00 177.39 177.04 2d8m h ASP 91 N 0.00 -0.44 -0.71 -1.43 5.19 -1.37 0.51 116.42 118.17 2d8m h ASP 91 Ca 0.00 0.22 0.08 0.00 -0.62 0.00 0.00 57.03 56.71 2d8m h ASP 91 Cb 0.00 0.40 -0.07 0.00 0.18 0.00 0.00 39.33 39.85 2d8m h ASP 91 CO 0.00 -0.23 0.38 0.00 -3.12 0.00 0.00 179.24 176.27 2d8m h HIS 93 N 0.67 -0.32 -0.94 0.00 -0.00 0.36 1.07 115.15 115.98 2d8m h HIS 93 Ca 0.34 -0.01 0.28 0.00 -0.00 0.00 0.00 60.37 60.98 2d8m h HIS 93 Cb 0.29 0.10 -0.17 0.00 -0.00 0.00 0.00 27.41 27.64 2d8m h HIS 93 CO -0.09 -0.20 0.19 -0.09 -0.00 0.00 0.00 177.93 177.75 2d8m h ARG 94 N -0.73 0.09 0.00 5.26 9.65 -0.15 1.31 114.38 129.80 2d8m h ARG 94 Ca -0.03 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2d8m h ARG 94 Cb 0.26 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2d8m h ARG 94 CO 0.06 0.06 -0.65 -1.33 2.80 0.00 0.00 179.97 180.91 2d8m n MET 95 N -5.35 0.09 -3.98 0.20 2.81 0.96 -4.96 117.12 106.89 2d8m n MET 95 Ca 0.25 0.01 -0.30 0.00 -1.81 0.00 0.00 57.70 55.85 2d8m n MET 95 Cb 0.81 -1.54 0.01 0.00 -0.71 0.00 0.00 33.22 31.78 2d8m n MET 95 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2d8m n ARG 96 N -1.67 -4.56 -4.13 0.03 1.74 0.45 -4.96 116.66 103.56 2d8m n ARG 96 Ca 0.04 0.52 -0.10 0.00 -0.77 0.00 0.00 57.85 57.54 2d8m n ARG 96 Cb 0.37 -5.24 -0.10 0.00 -1.02 0.00 0.00 32.46 26.47 2d8m n ARG 96 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2d8m s ARG 97 N -6.63 0.73 -0.53 5.56 1.70 -0.03 -4.77 118.95 114.98 2d8m s ARG 97 Ca 0.54 -1.23 -0.25 0.00 -0.47 0.00 0.00 55.73 54.32 2d8m s ARG 97 Cb -0.28 -0.09 0.04 0.00 -0.57 0.00 0.00 34.95 34.05 2d8m s ARG 97 CO 0.86 -0.04 0.96 0.50 -1.08 0.00 0.00 175.30 176.51 2d8m s ARG 98 N -3.57 3.41 0.05 3.89 3.52 -1.26 -4.46 118.95 120.52 2d8m s ARG 98 Ca 0.08 -0.09 0.01 0.00 -0.13 0.00 0.00 55.73 55.59 2d8m s ARG 98 Cb 0.04 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.38 2d8m s ARG 98 CO -0.06 -1.43 0.15 -0.51 -0.81 0.00 0.00 175.30 172.64 2d8m s LEU 99 N 4.00 4.12 0.09 -0.88 1.43 -1.26 -5.07 118.68 121.11 2d8m s LEU 99 Ca 0.34 0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 2d8m s LEU 99 Cb -0.11 -2.67 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 2d8m s LEU 99 CO 0.22 0.20 1.37 -2.16 0.23 0.00 0.00 176.35 176.21 2d8m s PRO 100 N -2.29 4.33 0.03 1.29 0.04 -1.26 -4.90 135.00 132.24 2d8m s PRO 100 Ca 0.30 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.54 2d8m s PRO 100 Cb -0.13 -3.31 0.72 0.00 0.04 0.00 0.00 34.50 31.82 2d8m s PRO 100 CO 0.23 -0.44 1.54 -1.13 0.04 0.00 0.00 177.00 177.24 2d8m n SER 101 N 4.16 0.07 0.06 6.66 3.41 -1.26 -3.39 113.62 123.34 2d8m n SER 101 Ca 0.11 0.52 -0.11 0.00 -0.26 0.00 0.00 58.87 59.13 2d8m n SER 101 Cb 0.43 -0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 63.80 2d8m n SER 101 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2d8m h GLN 102 N 0.00 -0.35 0.00 4.33 4.20 -1.99 0.94 115.11 122.24 2d8m h GLN 102 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2d8m h GLN 102 Cb 0.29 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2d8m h GLN 102 CO 0.00 -0.23 0.00 2.89 -0.67 0.00 0.00 178.83 180.82 2d8m n ARG 103 N -5.35 0.07 -0.74 1.46 1.85 -1.22 -1.25 116.66 111.49 2d8m n ARG 103 Ca -0.05 0.49 -0.02 0.00 -1.00 0.00 0.00 57.85 57.27 2d8m n ARG 103 Cb 0.26 -1.70 0.21 0.00 -1.05 0.00 0.00 32.46 30.17 2d8m n ARG 103 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2d8m n TYR 104 N -1.86 1.04 -2.69 2.89 4.01 0.26 -5.01 117.16 115.81 2d8m n TYR 104 Ca 0.00 -1.48 -0.42 0.00 -0.16 0.00 0.00 57.90 55.84 2d8m n TYR 104 Cb 0.07 -0.46 -0.03 0.00 -0.31 0.00 0.00 39.34 38.62 2d8m n TYR 104 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2d8m s LEU 105 N -3.18 4.25 -0.22 7.72 1.43 -0.38 -2.58 118.68 125.73 2d8m s LEU 105 Ca 0.44 1.54 0.08 0.00 -1.03 0.00 0.00 54.13 55.16 2d8m s LEU 105 Cb 0.39 -3.56 -0.19 0.00 0.03 0.00 0.00 46.19 42.87 2d8m s LEU 105 CO 0.01 -0.44 -0.11 0.23 0.23 0.00 0.00 176.35 176.28 2d8m n MET 106 N 4.94 0.72 -4.33 1.70 2.81 0.25 -4.94 117.12 118.27 2d8m n MET 106 Ca 0.09 0.08 -0.30 0.00 -1.81 0.00 0.00 57.70 55.76 2d8m n MET 106 Cb 0.49 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.48 2d8m n MET 106 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2d8m s ALA 107 N -2.48 4.39 0.24 3.04 0.00 -1.22 -5.07 121.76 120.67 2d8m s ALA 107 Ca -0.24 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2d8m s ALA 107 Cb 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2d8m s ALA 107 CO 0.65 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2d8m n GLY 108 N -1.57 -3.48 0.00 0.00 0.00 -1.26 -4.57 105.19 94.31 2d8m n GLY 108 Ca -0.11 -1.05 0.07 0.00 0.00 0.00 0.00 46.02 44.92 2d8m n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8m n PRO 109 N -1.58 0.27 0.00 1.61 -0.04 -1.26 -4.98 135.00 129.01 2d8m n PRO 109 Ca 0.00 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2d8m n PRO 109 Cb 0.13 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 2d8m n PRO 109 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d8m n GLY 110 N -0.03 0.21 3.53 0.55 0.00 -1.26 -4.88 105.19 103.31 2d8m n GLY 110 Ca 0.08 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 2d8m n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m s SER 111 N -4.00 6.82 -0.08 1.61 0.01 -1.26 -4.84 113.70 111.96 2d8m s SER 111 Ca 0.00 -2.37 -0.02 0.00 1.31 0.00 0.00 55.95 54.87 2d8m s SER 111 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 2d8m s SER 111 CO 0.00 -1.10 2.58 -1.54 0.41 0.00 0.00 173.24 173.59 2d8m n SER 112 N 7.48 5.55 -3.67 2.44 3.41 -1.26 -4.68 113.62 122.88 2d8m n SER 112 Ca 0.39 -2.58 -0.24 0.00 -0.26 0.00 0.00 58.87 56.19 2d8m n SER 112 Cb 0.46 -1.22 0.06 0.00 -0.26 0.00 0.00 64.21 63.25 2d8m n SER 112 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d8m n SER 113 N 1.62 -4.14 -1.24 4.04 7.64 -1.26 -4.86 113.62 115.42 2d8m n SER 113 Ca 0.21 -0.67 -0.04 0.00 1.01 0.00 0.00 58.87 59.38 2d8m n SER 113 Cb 0.65 -4.56 0.10 0.00 -1.01 0.00 0.00 64.21 59.39 2d8m n SER 113 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2d8m n GLU 114 N -4.62 1.84 -4.14 1.43 0.00 -1.26 -4.87 120.64 109.02 2d8m n GLU 114 Ca -0.10 -1.08 -0.23 0.00 0.00 0.00 0.00 57.16 55.76 2d8m n GLU 114 Cb 0.59 -1.57 -0.06 0.00 0.00 0.00 0.00 31.44 30.40 2d8m n GLU 114 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2d8m s GLU 115 N -1.35 2.41 0.33 3.44 0.41 -1.26 -5.04 118.70 117.64 2d8m s GLU 115 Ca 0.20 -1.46 0.08 0.00 -0.41 0.00 0.00 54.97 53.37 2d8m s GLU 115 Cb 0.16 -2.21 -0.03 0.00 -1.78 0.00 0.00 34.13 30.26 2d8m s GLU 115 CO 0.05 0.20 0.21 0.34 -0.49 0.00 0.00 175.26 175.57 2d8m s ASP 116 N -3.80 5.01 0.06 -0.19 2.15 -1.26 -5.03 116.67 113.60 2d8m s ASP 116 Ca 0.36 -0.61 -0.24 0.00 0.43 0.00 0.00 52.55 52.49 2d8m s ASP 116 Cb -0.04 -0.89 -0.17 0.00 -0.30 0.00 0.00 42.92 41.52 2d8m s ASP 116 CO 0.22 -0.29 1.59 -0.08 -0.17 0.00 0.00 175.17 176.44 2d8m h GLU 117 N 1.42 -0.03 0.00 4.34 4.22 -2.01 -3.40 114.58 119.12 2d8m h GLU 117 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.00 2d8m h GLU 117 Cb 1.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2d8m h GLU 117 CO 0.61 0.12 -0.77 0.00 -2.18 0.00 0.00 179.01 176.78 2d8m n ALA 118 N -2.18 0.91 -3.31 2.92 0.00 -1.26 -5.08 120.51 112.51 2d8m n ALA 118 Ca -0.08 -0.67 -0.14 0.00 0.00 0.00 0.00 53.44 52.55 2d8m n ALA 118 Cb 0.11 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 2d8m n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d8m s SER 119 N -5.61 -0.33 -0.24 0.00 0.15 -1.26 -5.07 113.70 101.33 2d8m s SER 119 Ca -0.22 0.35 -0.17 0.00 0.70 0.00 0.00 55.95 56.60 2d8m s SER 119 Cb 0.03 0.45 -0.14 0.00 -1.71 0.00 0.00 66.02 64.66 2d8m s SER 119 CO 0.33 -0.43 -0.14 1.57 1.20 0.00 0.00 173.24 175.76 2d8m n HIS 120 N 1.45 0.42 0.03 3.44 -0.00 -1.26 -4.52 115.22 114.77 2d8m n HIS 120 Ca -0.20 0.18 -0.10 0.00 0.46 0.00 0.00 57.72 58.06 2d8m n HIS 120 Cb 0.56 -0.98 -0.04 0.00 -0.12 0.00 0.00 29.99 29.41 2d8m n HIS 120 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2d8m h SER 121 N -1.00 -0.37 0.00 0.26 0.87 -2.00 -3.49 113.55 107.83 2d8m h SER 121 Ca -0.48 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2d8m h SER 121 Cb 1.39 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2d8m h SER 121 CO -0.29 -0.17 0.00 0.61 -0.53 0.00 0.00 176.83 176.45 2d8m n GLY 122 N -1.26 0.13 0.00 5.77 0.00 -1.26 -4.98 105.19 103.59 2d8m n GLY 122 Ca -0.04 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2d8m n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d8m n GLY 123 N 0.00 -1.05 3.55 -0.02 0.00 -1.26 -4.98 105.19 101.44 2d8m n GLY 123 Ca 0.00 0.94 -0.34 0.00 0.00 0.00 0.00 46.02 46.62 2d8m n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8m s SER 124 N 0.00 5.09 0.65 1.61 1.04 -1.26 -5.11 113.70 115.72 2d8m s SER 124 Ca 0.00 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.44 2d8m s SER 124 Cb 0.00 -1.82 0.11 0.00 0.10 0.00 0.00 66.02 64.42 2d8m s SER 124 CO 0.00 0.19 0.90 -0.83 0.98 0.00 0.00 173.24 174.48 2d8m s GLY 125 N 0.27 1.72 -0.95 7.32 0.00 -1.26 -4.99 107.32 109.44 2d8m s GLY 125 Ca -0.01 -2.05 -0.24 0.00 0.00 0.00 0.00 44.72 42.42 2d8m s GLY 125 CO 0.02 -1.51 1.95 2.56 0.00 0.00 0.00 173.10 176.12 2d8m s PRO 126 N -4.90 2.54 -0.10 2.90 0.04 -1.26 -4.95 135.00 129.27 2d8m s PRO 126 Ca 0.65 -0.43 -0.04 0.00 0.04 0.00 0.00 61.00 61.22 2d8m s PRO 126 Cb -0.05 -5.09 -0.04 0.00 0.04 0.00 0.00 34.50 29.36 2d8m s PRO 126 CO 0.42 -3.49 0.05 -1.54 0.04 0.00 0.00 177.00 172.48 2d8m s SER 127 N 7.79 5.60 0.37 6.66 1.04 -1.26 -5.10 113.70 128.80 2d8m s SER 127 Ca 0.70 0.23 -0.15 0.00 0.48 0.00 0.00 55.95 57.21 2d8m s SER 127 Cb -0.06 -1.69 -0.08 0.00 0.10 0.00 0.00 66.02 64.29 2d8m s SER 127 CO 0.02 0.37 0.79 -0.55 0.98 0.00 0.00 173.24 174.85 2d8m s SER 128 N -0.82 6.72 0.00 7.02 0.15 -1.26 -5.29 113.70 120.22 2d8m s SER 128 Ca 0.13 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.10 2d8m s SER 128 Cb -0.12 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2d8m s SER 128 CO 0.03 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.77