#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 -0.53 0.07 1.61 0.15 -1.26 -5.17 113.70 108.57 2d8m s SER 2 Ca 0.00 0.90 0.05 0.00 0.70 0.00 0.00 55.95 57.60 2d8m s SER 2 Cb 0.00 1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 2d8m s SER 2 CO 0.00 -0.15 -0.07 -0.44 1.20 0.00 0.00 173.24 173.79 2d8m s SER 3 N 1.06 4.62 0.00 5.45 0.01 -1.26 -5.03 113.70 118.55 2d8m s SER 3 Ca -0.06 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2d8m s SER 3 Cb -0.04 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.19 2d8m s SER 3 CO -0.13 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.34 2d8m n GLY 4 N 0.94 1.60 2.69 3.44 0.00 -1.26 -5.15 105.19 107.45 2d8m n GLY 4 Ca -0.13 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 2d8m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8m s SER 5 N 0.00 2.77 0.05 1.61 0.15 -1.26 -5.13 113.70 111.88 2d8m s SER 5 Ca 0.00 -0.79 0.08 0.00 0.70 0.00 0.00 55.95 55.94 2d8m s SER 5 Cb 0.00 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 2d8m s SER 5 CO 0.00 -0.33 -0.22 -0.55 1.20 0.00 0.00 173.24 173.34 2d8m s SER 6 N 1.96 3.50 0.00 5.45 0.15 -1.26 -5.02 113.70 118.48 2d8m s SER 6 Ca 0.01 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2d8m s SER 6 Cb -0.17 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2d8m s SER 6 CO -0.10 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2d8m n GLY 7 N 1.62 -1.08 3.08 9.45 0.00 -1.26 -5.17 105.19 111.84 2d8m n GLY 7 Ca -0.17 0.47 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 2d8m n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d8m s GLU 8 N 0.00 0.78 -0.17 1.61 0.41 -1.26 -5.11 118.70 114.96 2d8m s GLU 8 Ca 0.00 -0.58 -0.29 0.00 -0.41 0.00 0.00 54.97 53.69 2d8m s GLU 8 Cb 0.00 -0.74 -0.03 0.00 -1.78 0.00 0.00 34.13 31.58 2d8m s GLU 8 CO 0.00 0.19 1.57 -1.25 -0.49 0.00 0.00 175.26 175.28 2d8m s PRO 9 N -0.84 3.96 -0.01 0.39 0.04 -1.26 -5.00 135.00 132.28 2d8m s PRO 9 Ca 0.00 1.80 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 2d8m s PRO 9 Cb -0.06 -3.98 -0.05 0.00 0.04 0.00 0.00 34.50 30.44 2d8m s PRO 9 CO 0.00 -1.09 0.52 1.03 0.04 0.00 0.00 177.00 177.50 2d8m s ARG 10 N 4.34 4.21 0.38 4.56 3.00 -1.26 -5.03 118.95 129.15 2d8m s ARG 10 Ca 0.69 0.60 -0.24 0.00 0.00 0.00 0.00 55.73 56.78 2d8m s ARG 10 Cb -0.27 -3.31 -0.12 0.00 0.00 0.00 0.00 34.95 31.25 2d8m s ARG 10 CO 0.27 0.46 0.76 0.54 0.00 0.00 0.00 175.30 177.32 2d8m n ARG 11 N 2.50 0.88 -2.19 3.54 1.74 -1.26 -4.87 116.66 117.01 2d8m n ARG 11 Ca -0.09 0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 2d8m n ARG 11 Cb 0.51 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 2d8m n ARG 11 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2d8m s PRO 12 N -1.67 4.30 0.06 5.56 0.04 -1.26 -5.03 135.00 137.00 2d8m s PRO 12 Ca 0.63 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.76 2d8m s PRO 12 Cb -0.63 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 2d8m s PRO 12 CO 0.58 -0.51 -0.13 1.03 0.04 0.00 0.00 177.00 178.00 2d8m s ARG 13 N 1.82 2.16 -0.62 4.56 3.00 -1.26 -5.08 118.95 123.53 2d8m s ARG 13 Ca 0.65 -0.95 -0.23 0.00 0.00 0.00 0.00 55.73 55.19 2d8m s ARG 13 Cb -0.34 -2.28 0.06 0.00 0.00 0.00 0.00 34.95 32.39 2d8m s ARG 13 CO 0.29 0.54 0.96 0.00 0.00 0.00 0.00 175.30 177.08 2d8m s ALA 14 N -1.04 3.12 0.09 2.13 0.00 -1.26 -5.01 121.76 119.79 2d8m s ALA 14 Ca 0.17 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2d8m s ALA 14 Cb -0.11 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2d8m s ALA 14 CO 0.08 -2.63 0.00 0.41 0.00 0.00 0.00 175.76 173.63 2d8m n GLY 15 N 5.25 1.70 0.00 0.00 0.00 -1.26 -4.94 105.19 105.94 2d8m n GLY 15 Ca -0.02 -1.98 0.06 0.00 0.00 0.00 0.00 46.02 44.08 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 0.00 0.49 0.08 1.61 -0.04 -1.26 -3.62 135.00 132.26 2d8m n PRO 16 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2d8m n PRO 16 Cb 0.00 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.07 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 -0.23 -0.75 0.54 4.22 -1.92 1.26 114.58 117.70 2d8m h GLU 17 Ca 0.00 0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.56 2d8m h GLU 17 Cb 0.00 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2d8m h GLU 17 CO 0.00 -0.15 0.49 1.49 -2.18 0.00 0.00 179.01 178.66 2d8m h GLU 18 N -0.47 0.61 0.18 1.92 4.57 -1.92 -1.78 114.58 117.69 2d8m h GLU 18 Ca -0.02 -0.04 -0.31 0.00 -1.18 0.00 0.00 59.36 57.80 2d8m h GLU 18 Cb 0.18 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2d8m h GLU 18 CO 0.04 0.40 -1.47 -0.07 -1.18 0.00 0.00 179.01 176.73 2d8m h LEU 19 N 0.63 0.58 -2.19 1.64 4.07 -1.68 -3.29 115.31 115.07 2d8m h LEU 19 Ca 0.35 -0.69 0.06 0.00 0.08 0.00 0.00 57.88 57.68 2d8m h LEU 19 Cb 0.52 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2d8m h LEU 19 CO -0.13 1.56 0.22 1.23 -1.08 0.00 0.00 178.44 180.24 2d8m h GLY 20 N 1.02 0.00 -0.15 0.83 0.00 0.44 0.37 103.07 105.59 2d8m h GLY 20 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2d8m h GLY 20 CO 0.21 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.03 2d8m n LYS 21 N -3.86 1.35 -0.08 4.80 4.76 -0.96 -2.66 118.16 121.52 2d8m n LYS 21 Ca 0.02 -0.53 -0.09 0.00 -2.87 0.00 0.00 58.31 54.85 2d8m n LYS 21 Cb 0.35 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 2d8m n LYS 21 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2d8m n ILE 22 N -0.23 1.45 -1.48 -0.18 5.41 0.13 -4.53 119.36 119.93 2d8m n ILE 22 Ca 0.14 0.15 -0.19 0.00 1.00 0.00 0.00 62.75 63.84 2d8m n ILE 22 Cb 0.18 -2.32 0.14 0.00 -0.71 0.00 0.00 39.64 36.93 2d8m n ILE 22 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2d8m n LEU 23 N -4.55 5.70 -4.60 1.39 4.77 0.60 -4.81 117.00 115.50 2d8m n LEU 23 Ca -0.13 -4.05 -0.44 0.00 -0.03 0.00 0.00 56.01 51.36 2d8m n LEU 23 Cb 0.39 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 2d8m n LEU 23 CO 0.13 1.42 1.83 1.67 -1.33 0.00 0.00 177.39 181.11 2d8m n GLN 24 N -1.01 1.99 -0.97 3.23 -0.06 -1.09 -1.58 117.38 117.89 2d8m n GLN 24 Ca 0.48 0.57 0.00 0.00 -2.00 0.00 0.00 57.00 56.05 2d8m n GLN 24 Cb 1.07 -3.16 0.00 0.00 -4.06 0.00 0.00 30.24 24.08 2d8m n GLN 24 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2d8m n GLY 25 N 5.70 1.19 3.39 1.69 0.00 -1.26 -5.09 105.19 110.81 2d8m n GLY 25 Ca 0.30 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.11 2.22 -0.15 1.61 1.01 -0.61 -4.86 120.40 117.50 2d8m s VAL 26 Ca 0.00 -1.81 -0.00 0.00 0.00 0.00 0.00 61.98 60.17 2d8m s VAL 26 Cb 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2d8m s VAL 26 CO 0.00 0.01 -0.08 -0.69 0.00 0.00 0.00 175.10 174.34 2d8m s VAL 27 N -1.25 1.21 0.16 2.92 1.01 -1.26 -0.18 120.40 123.00 2d8m s VAL 27 Ca 0.15 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.65 2d8m s VAL 27 Cb -0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2d8m s VAL 27 CO 0.07 0.27 -0.01 0.68 0.00 0.00 0.00 175.10 176.10 2d8m s VAL 28 N 1.61 3.70 -0.11 2.92 -7.23 0.12 -2.10 120.40 119.32 2d8m s VAL 28 Ca 0.03 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2d8m s VAL 28 Cb -0.14 -2.84 0.02 0.00 0.56 0.00 0.00 36.38 33.98 2d8m s VAL 28 CO -0.08 -0.07 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.85 2d8m s VAL 29 N -1.65 1.09 -0.16 1.32 1.01 -1.18 -2.43 120.40 118.40 2d8m s VAL 29 Ca 0.27 -0.36 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 2d8m s VAL 29 Cb -0.10 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2d8m s VAL 29 CO 0.18 0.37 0.93 -0.76 0.00 0.00 0.00 175.10 175.82 2d8m s LEU 30 N 1.46 4.18 -0.03 3.92 1.43 -1.25 -1.67 118.68 126.72 2d8m s LEU 30 Ca 0.01 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 2d8m s LEU 30 Cb -0.13 -3.39 0.02 0.00 0.03 0.00 0.00 46.19 42.72 2d8m s LEU 30 CO -0.06 -0.47 0.05 -0.44 0.23 0.00 0.00 176.35 175.67 2d8m s SER 31 N 1.15 0.01 -0.45 2.29 0.01 -1.16 -4.85 113.70 110.71 2d8m s SER 31 Ca 0.42 0.10 -0.00 0.00 1.31 0.00 0.00 55.95 57.78 2d8m s SER 31 Cb -0.17 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2d8m s SER 31 CO 0.13 -0.10 0.04 0.61 0.41 0.00 0.00 173.24 174.32 2d8m n GLY 32 N 3.90 0.20 3.67 3.44 0.00 -1.26 -3.36 105.19 111.79 2d8m n GLY 32 Ca -0.24 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.37 2.73 -0.07 1.61 0.08 -1.26 -4.68 117.98 114.02 2d8m s PHE 33 Ca 0.02 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 2d8m s PHE 33 Cb -0.01 -1.30 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 2d8m s PHE 33 CO 0.02 0.56 0.16 -1.14 -0.10 0.00 0.00 175.22 174.72 2d8m s GLN 34 N -3.72 0.12 0.74 0.44 2.00 -1.26 -4.82 119.66 113.15 2d8m s GLN 34 Ca 0.33 0.36 -0.15 0.00 -2.00 0.00 0.00 55.36 53.90 2d8m s GLN 34 Cb -0.06 -0.12 0.04 0.00 0.80 0.00 0.00 33.01 33.67 2d8m s GLN 34 CO 0.21 -0.14 1.21 0.54 -0.50 0.00 0.00 175.29 176.61 2d8m s ASN 35 N 0.98 4.14 0.31 6.67 6.03 -1.26 -0.46 114.94 131.35 2d8m s ASN 35 Ca -0.07 2.37 0.10 0.00 -1.03 0.00 0.00 52.86 54.22 2d8m s ASN 35 Cb -0.09 -2.59 0.49 0.00 -3.03 0.00 0.00 41.25 36.03 2d8m s ASN 35 CO -0.05 -2.30 1.70 1.55 -2.03 0.00 0.00 177.10 175.97 2d8m h PRO 36 N -0.33 0.09 -0.72 3.55 0.13 -2.01 -3.44 132.00 129.26 2d8m h PRO 36 Ca -0.48 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 64.68 2d8m h PRO 36 Cb 1.30 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.34 2d8m h PRO 36 CO 0.49 0.55 -0.40 0.34 -0.23 0.00 0.00 178.00 178.76 2d8m n PHE 37 N -3.97 -0.25 -0.25 1.56 7.35 -0.93 0.12 117.46 121.10 2d8m n PHE 37 Ca -0.02 0.90 0.02 0.00 -0.76 0.00 0.00 57.45 57.60 2d8m n PHE 37 Cb 0.51 -0.60 0.10 0.00 0.35 0.00 0.00 39.48 39.84 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 0.02 0.62 -4.13 2.43 -1.05 0.19 114.38 112.46 2d8m h ARG 38 Ca 0.15 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2d8m h ARG 38 Cb 0.33 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2d8m h ARG 38 CO -0.69 0.01 -0.30 1.03 -1.51 0.00 0.00 179.97 178.52 2d8m h SER 39 N 0.02 -0.71 -0.54 -3.80 0.87 0.63 -3.01 113.55 107.02 2d8m h SER 39 Ca 0.37 -0.02 0.10 0.00 -1.23 0.00 0.00 61.79 61.00 2d8m h SER 39 Cb 0.59 0.18 -0.11 0.00 -0.44 0.00 0.00 62.40 62.62 2d8m h SER 39 CO -0.74 -0.38 -0.31 -0.08 -0.53 0.00 0.00 176.83 174.79 2d8m h GLU 40 N -1.04 -0.16 -1.00 2.24 4.81 -0.09 0.21 114.58 119.56 2d8m h GLU 40 Ca -0.09 0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.44 2d8m h GLU 40 Cb 0.69 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 29.97 2d8m h GLU 40 CO 0.14 -0.11 0.56 1.25 -0.73 0.00 0.00 179.01 180.13 2d8m h LEU 41 N -0.17 0.57 -0.03 1.64 5.85 -0.66 0.42 115.31 122.92 2d8m h LEU 41 Ca 0.22 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 2d8m h LEU 41 Cb 0.54 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 2d8m h LEU 41 CO -0.63 -0.03 -0.02 -0.09 -0.34 0.00 0.00 178.44 177.33 2d8m h ARG 42 N 0.44 0.07 -0.73 1.25 2.43 -0.48 -2.39 114.38 114.97 2d8m h ARG 42 Ca 0.68 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.92 2d8m h ARG 42 Cb 1.44 -0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.87 2d8m h ARG 42 CO -0.55 0.46 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.48 2d8m h ASP 43 N -0.32 -1.60 -0.09 -3.80 5.19 0.08 0.68 116.42 116.56 2d8m h ASP 43 Ca 0.01 0.27 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2d8m h ASP 43 Cb 0.44 0.74 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 2d8m h ASP 43 CO 0.00 -0.31 0.06 0.11 -3.12 0.00 0.00 179.24 175.98 2d8m h LYS 44 N -0.15 0.12 -1.02 3.56 1.57 -1.51 -2.26 116.57 116.89 2d8m h LYS 44 Ca 0.21 -0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.25 2d8m h LYS 44 Cb 0.55 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 2d8m h LYS 44 CO -0.79 0.12 0.69 0.00 -0.57 0.00 0.00 179.45 178.90 2d8m h ALA 45 N 0.99 2.55 -0.34 3.86 0.00 -0.55 0.17 119.26 125.95 2d8m h ALA 45 Ca 0.03 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2d8m h ALA 45 Cb 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2d8m h ALA 45 CO -0.01 -0.89 -0.25 -0.07 0.00 0.00 0.00 179.25 178.03 2d8m h LEU 46 N 0.23 0.81 -0.73 0.00 3.38 -0.34 -2.62 115.31 116.04 2d8m h LEU 46 Ca 0.53 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2d8m h LEU 46 Cb 1.65 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.11 2d8m h LEU 46 CO -0.15 1.08 0.39 -0.33 0.09 0.00 0.00 178.44 179.51 2d8m h GLU 47 N 0.55 0.65 0.00 1.13 4.39 -0.48 0.21 114.58 121.02 2d8m h GLU 47 Ca 0.07 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2d8m h GLU 47 Cb 0.81 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2d8m h GLU 47 CO 0.07 0.43 0.00 1.28 -1.16 0.00 0.00 179.01 179.63 2d8m n LEU 48 N -4.81 0.58 0.00 1.33 4.77 -1.05 -0.43 117.00 117.38 2d8m n LEU 48 Ca 0.11 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 2d8m n LEU 48 Cb 0.25 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 2d8m n LEU 48 CO 0.26 -0.83 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 2d8m n GLY 49 N -0.94 0.85 3.91 -0.72 0.00 0.72 -0.29 105.19 108.72 2d8m n GLY 49 Ca -0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 3.74 -0.08 4.61 0.00 -0.99 -4.00 121.76 123.04 2d8m s ALA 50 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 51.96 51.15 2d8m s ALA 50 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 2d8m s ALA 50 CO 0.00 0.50 0.57 0.15 0.00 0.00 0.00 175.76 176.98 2d8m s LYS 51 N -3.05 4.37 -0.43 0.00 3.01 0.75 -4.43 119.74 119.95 2d8m s LYS 51 Ca 0.42 0.65 -0.14 0.00 -1.01 0.00 0.00 55.97 55.88 2d8m s LYS 51 Cb -0.11 -3.42 0.05 0.00 -1.01 0.00 0.00 37.83 33.33 2d8m s LYS 51 CO 0.27 0.17 0.31 -0.47 0.51 0.00 0.00 175.35 176.13 2d8m s TYR 52 N 0.53 3.26 -0.03 3.18 5.04 -1.26 0.15 117.35 128.22 2d8m s TYR 52 Ca 0.31 -0.91 -0.00 0.00 -2.44 0.00 0.00 57.07 54.02 2d8m s TYR 52 Cb -0.17 -2.81 -0.04 0.00 0.35 0.00 0.00 41.96 39.29 2d8m s TYR 52 CO 0.14 -0.71 0.03 1.03 -1.34 0.00 0.00 175.55 174.70 2d8m s ARG 53 N 1.61 2.95 0.34 4.97 1.81 -1.02 -4.64 118.95 124.96 2d8m s ARG 53 Ca 0.04 -0.50 0.13 0.00 -1.72 0.00 0.00 55.73 53.68 2d8m s ARG 53 Cb -0.21 -2.78 0.60 0.00 -0.45 0.00 0.00 34.95 32.11 2d8m s ARG 53 CO 0.07 0.66 1.74 -1.00 -0.68 0.00 0.00 175.30 176.09 2d8m h PRO 54 N 4.49 0.00 -4.23 3.54 0.13 -1.92 -3.34 132.00 130.67 2d8m h PRO 54 Ca -0.50 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 2d8m h PRO 54 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 2d8m h PRO 54 CO 0.58 0.46 -0.66 0.16 -0.23 0.00 0.00 178.00 178.31 2d8m s ASP 55 N -6.82 0.45 -0.23 1.44 1.47 -1.26 -4.88 116.67 106.84 2d8m s ASP 55 Ca -0.02 -1.00 -0.30 0.00 1.18 0.00 0.00 52.55 52.41 2d8m s ASP 55 Cb 0.13 0.22 -0.07 0.00 -0.34 0.00 0.00 42.92 42.86 2d8m s ASP 55 CO 0.73 -0.62 2.20 1.87 0.68 0.00 0.00 175.17 180.03 2d8m n TRP 56 N 0.08 1.91 -2.86 2.11 -0.00 -1.26 -4.95 117.44 112.47 2d8m n TRP 56 Ca -0.13 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.50 57.14 2d8m n TRP 56 Cb 0.61 -2.68 0.04 0.00 -0.00 0.00 0.00 31.31 29.28 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 7.79 2.65 -1.78 5.87 -4.23 -1.26 -4.98 115.64 119.70 2d8m s THR 57 Ca 1.02 -0.86 0.26 0.00 -1.18 0.00 0.00 61.69 60.93 2d8m s THR 57 Cb -0.48 -2.79 0.62 0.00 1.34 0.00 0.00 72.50 71.20 2d8m s THR 57 CO 0.39 0.00 1.89 -1.14 -0.54 0.00 0.00 174.62 175.22 2d8m n ARG 58 N -2.18 0.64 0.00 3.99 0.63 -1.26 -2.50 116.66 115.98 2d8m n ARG 58 Ca 0.10 0.02 0.05 0.00 -0.92 0.00 0.00 57.85 57.10 2d8m n ARG 58 Cb 0.60 -1.50 -0.01 0.00 0.45 0.00 0.00 32.46 31.99 2d8m n ARG 58 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2d8m n ASP 59 N -1.11 0.97 -4.66 6.15 9.92 -1.26 -5.00 116.55 121.57 2d8m n ASP 59 Ca 0.17 -0.99 -0.43 0.00 -0.53 0.00 0.00 54.79 53.00 2d8m n ASP 59 Cb 0.13 0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 41.19 2d8m n ASP 59 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2d8m n SER 60 N -0.52 3.98 -0.09 -2.24 7.64 -1.04 -4.65 113.62 116.70 2d8m n SER 60 Ca 0.03 0.88 -0.13 0.00 1.01 0.00 0.00 58.87 60.67 2d8m n SER 60 Cb 0.18 -1.50 -0.15 0.00 -1.01 0.00 0.00 64.21 61.74 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 5.58 1.48 -4.04 0.44 -2.24 -1.06 -4.90 114.28 109.53 2d8m n THR 61 Ca 0.21 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 2d8m n THR 61 Cb 0.39 -0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.52 0.46 -0.21 4.78 3.76 -0.89 -3.04 115.29 117.64 2d8m s HIS 62 Ca -0.17 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.34 2d8m s HIS 62 Cb 0.07 -0.29 0.01 0.00 1.11 0.00 0.00 32.58 33.48 2d8m s HIS 62 CO 0.76 -0.09 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.27 2d8m s LEU 63 N -1.16 2.57 -0.90 0.89 2.96 -0.84 -3.09 118.68 119.11 2d8m s LEU 63 Ca -0.09 -0.62 -0.21 0.00 -0.22 0.00 0.00 54.13 52.99 2d8m s LEU 63 Cb -0.08 -1.59 0.09 0.00 0.50 0.00 0.00 46.19 45.11 2d8m s LEU 63 CO -0.00 -0.03 1.20 -0.63 -1.32 0.00 0.00 176.35 175.57 2d8m s ILE 64 N 1.35 4.38 0.07 6.68 -1.09 -0.67 -2.85 121.20 129.06 2d8m s ILE 64 Ca 0.04 -1.04 -0.11 0.00 -2.23 0.00 0.00 60.65 57.31 2d8m s ILE 64 Cb -0.14 -4.85 -0.06 0.00 -1.58 0.00 0.00 42.46 35.83 2d8m s ILE 64 CO -0.08 -1.64 0.41 0.00 -1.23 0.00 0.00 174.94 172.40 2d8m h ALA 66 N 3.86 -0.00 -2.51 0.00 0.00 -1.83 -3.14 119.26 115.65 2d8m h ALA 66 Ca -0.49 -0.82 -0.11 0.00 0.00 0.00 0.00 54.91 53.49 2d8m h ALA 66 Cb 1.20 0.23 -0.22 0.00 0.00 0.00 0.00 17.79 19.00 2d8m h ALA 66 CO 0.66 0.52 -0.17 -0.59 0.00 0.00 0.00 179.25 179.67 2d8m s PHE 67 N -2.44 -0.40 0.70 0.00 -0.12 -1.26 -4.84 117.98 109.62 2d8m s PHE 67 Ca -0.16 0.85 -0.12 0.00 -0.05 0.00 0.00 56.93 57.46 2d8m s PHE 67 Cb 0.02 0.18 0.18 0.00 -0.63 0.00 0.00 43.02 42.77 2d8m s PHE 67 CO 0.81 -0.35 0.50 0.00 -0.05 0.00 0.00 175.22 176.13 2d8m n ALA 68 N 1.99 -2.29 -2.22 1.99 0.00 -1.26 -4.13 120.51 114.59 2d8m n ALA 68 Ca -0.17 -0.82 -0.18 0.00 0.00 0.00 0.00 53.44 52.28 2d8m n ALA 68 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 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 -4.24 -5.14 -4.81 0.00 5.03 -1.26 -5.00 115.26 99.84 2d8m n ASN 69 Ca 0.07 0.04 -0.22 0.00 0.87 0.00 0.00 54.58 55.35 2d8m n ASN 69 Cb 0.31 -4.22 -0.04 0.00 -1.02 0.00 0.00 39.78 34.81 2d8m n ASN 69 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2d8m s THR 70 N -2.85 4.39 0.25 3.41 -4.23 -1.26 -5.03 115.64 110.32 2d8m s THR 70 Ca 0.00 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2d8m s THR 70 Cb 0.00 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.47 2d8m s THR 70 CO 0.00 -0.35 1.62 1.55 -0.54 0.00 0.00 174.62 176.90 2d8m h PRO 71 N 1.51 0.40 0.00 3.99 0.13 -1.94 -2.99 132.00 133.10 2d8m h PRO 71 Ca -0.48 -0.21 -0.10 0.00 -0.87 0.00 0.00 66.00 64.33 2d8m h PRO 71 Cb 1.24 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2d8m h PRO 71 CO 0.61 0.77 -0.50 -0.22 -0.23 0.00 0.00 178.00 178.43 2d8m h LYS 72 N 0.33 0.00 0.42 0.86 1.63 -1.98 -2.99 116.57 114.84 2d8m h LYS 72 Ca 0.02 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2d8m h LYS 72 Cb 0.92 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 2d8m h LYS 72 CO 0.08 0.50 -0.20 -0.92 -3.45 0.00 0.00 179.45 175.45 2d8m h TYR 73 N 0.00 -0.53 -0.53 1.91 3.20 -1.90 -2.39 116.97 116.73 2d8m h TYR 73 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 2d8m h TYR 73 Cb 1.31 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.73 2d8m h TYR 73 CO 0.00 -0.27 0.06 1.03 -1.64 0.00 0.00 178.16 177.34 2d8m h SER 74 N -0.67 0.86 -0.60 -2.11 0.87 -1.65 -1.16 113.55 109.10 2d8m h SER 74 Ca -0.06 -0.28 0.12 0.00 -1.23 0.00 0.00 61.79 60.35 2d8m h SER 74 Cb 0.49 -0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 62.12 2d8m h SER 74 CO 0.10 0.93 -0.00 -0.61 -0.53 0.00 0.00 176.83 176.71 2d8m h GLN 75 N 0.77 0.11 0.00 2.24 4.15 -1.47 0.28 115.11 121.20 2d8m h GLN 75 Ca 0.16 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 2d8m h GLN 75 Cb 0.45 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2d8m h GLN 75 CO 0.02 0.07 -0.06 0.28 -1.93 0.00 0.00 178.83 177.21 2d8m h VAL 76 N 0.12 0.00 -0.09 2.39 2.07 -1.31 -3.23 116.25 116.20 2d8m h VAL 76 Ca 0.31 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 2d8m h VAL 76 Cb 0.49 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2d8m h VAL 76 CO -0.51 0.00 -0.52 0.25 0.02 0.00 0.00 177.57 176.81 2d8m h LEU 77 N 0.00 0.61 -0.64 2.57 5.85 0.78 -2.50 115.31 121.98 2d8m h LEU 77 Ca 0.00 -0.66 -0.14 0.00 0.84 0.00 0.00 57.88 57.92 2d8m h LEU 77 Cb 0.75 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2d8m h LEU 77 CO 0.00 1.17 -0.39 1.23 -0.34 0.00 0.00 178.44 180.11 2d8m h GLY 78 N 0.09 0.69 0.97 3.75 0.00 -1.15 -3.18 103.07 104.23 2d8m h GLY 78 Ca -0.04 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 2d8m h GLY 78 CO 0.11 0.61 0.18 1.41 0.00 0.00 0.00 176.54 178.85 2d8m h LEU 79 N 0.52 0.37 0.00 3.11 3.38 -1.62 -3.47 115.31 117.60 2d8m h LEU 79 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2d8m h LEU 79 Cb 0.90 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2d8m h LEU 79 CO 0.08 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.53 2d8m n GLY 80 N -1.04 0.99 3.96 0.83 0.00 -1.13 -5.13 105.19 103.66 2d8m n GLY 80 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.62 1.75 -0.84 -0.02 0.00 -0.96 -5.04 107.32 100.59 2d8m s GLY 81 Ca 0.00 -1.57 -0.22 0.00 0.00 0.00 0.00 44.72 42.92 2d8m s GLY 81 CO 0.00 -1.46 1.19 -1.60 0.00 0.00 0.00 173.10 171.23 2d8m s ARG 82 N -4.17 3.38 -0.35 2.90 6.06 -1.17 -4.85 118.95 120.74 2d8m s ARG 82 Ca 0.46 -1.04 -0.25 0.00 -2.50 0.00 0.00 55.73 52.41 2d8m s ARG 82 Cb -0.08 -4.69 0.01 0.00 0.06 0.00 0.00 34.95 30.25 2d8m s ARG 82 CO 0.30 -1.97 0.86 0.42 -2.50 0.00 0.00 175.30 172.41 2d8m s ILE 83 N 4.24 4.67 0.18 4.11 1.01 -1.26 -1.98 121.20 132.18 2d8m s ILE 83 Ca 0.33 1.10 0.04 0.00 0.00 0.00 0.00 60.65 62.12 2d8m s ILE 83 Cb -0.08 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.08 2d8m s ILE 83 CO 0.01 -0.45 -0.04 0.68 0.00 0.00 0.00 174.94 175.13 2d8m s VAL 84 N 3.26 1.02 1.19 2.92 -7.23 -1.13 -1.05 120.40 119.38 2d8m s VAL 84 Ca 0.35 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 2d8m s VAL 84 Cb -0.13 -2.09 0.28 0.00 0.56 0.00 0.00 36.38 35.00 2d8m s VAL 84 CO 0.17 -0.53 1.10 -0.13 -0.31 0.00 0.00 175.10 175.40 2d8m s ARG 85 N -3.83 -1.13 0.13 4.82 0.52 -1.18 -2.93 118.95 115.34 2d8m s ARG 85 Ca 0.23 -0.02 0.07 0.00 -0.52 0.00 0.00 55.73 55.49 2d8m s ARG 85 Cb 0.04 -1.60 -0.19 0.00 0.52 0.00 0.00 34.95 33.73 2d8m s ARG 85 CO 0.04 -3.66 1.29 1.57 0.02 0.00 0.00 175.30 174.56 2d8m h LYS 86 N -2.55 0.00 -0.99 3.54 2.10 -1.87 -3.29 116.57 113.51 2d8m h LYS 86 Ca -0.46 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.39 2d8m h LYS 86 Cb 1.30 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.52 2d8m h LYS 86 CO 0.36 0.97 0.59 1.49 -2.00 0.00 0.00 179.45 180.86 2d8m h GLU 87 N 0.00 0.69 -1.66 0.07 4.81 -1.93 0.01 114.58 116.57 2d8m h GLU 87 Ca -0.01 -0.04 0.52 0.00 -0.13 0.00 0.00 59.36 59.70 2d8m h GLU 87 Cb 1.74 -0.16 -0.11 0.00 0.63 0.00 0.00 28.75 30.85 2d8m h GLU 87 CO 0.13 0.46 1.14 2.35 -0.73 0.00 0.00 179.01 182.36 2d8m h TRP 88 N 0.71 0.26 0.13 0.92 7.01 -1.95 0.76 115.95 123.79 2d8m h TRP 88 Ca 0.58 0.01 -0.34 0.00 2.11 0.00 0.00 58.89 61.26 2d8m h TRP 88 Cb 0.95 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 2d8m h TRP 88 CO -0.01 -0.14 -1.79 0.28 -2.79 0.00 0.00 178.44 173.98 2d8m h VAL 89 N 0.01 0.78 0.57 2.65 2.07 -1.25 -3.14 116.25 117.94 2d8m h VAL 89 Ca 0.90 -2.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 2d8m h VAL 89 Cb 3.27 2.57 0.01 0.00 -1.52 0.00 0.00 31.29 35.61 2d8m h VAL 89 CO -0.24 0.81 -0.27 -0.07 0.02 0.00 0.00 177.57 177.82 2d8m h LEU 90 N -0.07 -0.64 -0.25 2.57 3.38 0.42 0.30 115.31 121.01 2d8m h LEU 90 Ca -0.38 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.60 2d8m h LEU 90 Cb 1.94 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.84 2d8m h LEU 90 CO 0.08 -0.41 0.12 -2.24 0.09 0.00 0.00 178.44 176.08 2d8m h ASP 91 N -0.83 0.18 -0.03 -0.43 3.04 -0.62 0.16 116.42 117.90 2d8m h ASP 91 Ca -0.08 0.01 0.03 0.00 -3.24 0.00 0.00 57.03 53.75 2d8m h ASP 91 Cb 0.61 -0.02 -0.03 0.00 -1.04 0.00 0.00 39.33 38.84 2d8m h ASP 91 CO 0.13 0.14 -0.15 0.00 -2.04 0.00 0.00 179.24 177.32 2d8m h HIS 93 N -0.23 -0.67 -0.57 0.00 -0.00 -0.73 1.50 115.15 114.45 2d8m h HIS 93 Ca 0.06 -0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.52 2d8m h HIS 93 Cb 0.31 0.22 -0.11 0.00 -0.00 0.00 0.00 27.41 27.83 2d8m h HIS 93 CO -0.21 -0.41 -0.26 -0.09 -0.00 0.00 0.00 177.93 176.96 2d8m h ARG 94 N -0.72 -0.11 -0.00 5.26 9.65 -0.47 0.51 114.38 128.49 2d8m h ARG 94 Ca -0.07 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2d8m h ARG 94 Cb 0.55 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2d8m h ARG 94 CO 0.12 -0.07 -0.10 -1.33 2.80 0.00 0.00 179.97 181.39 2d8m n MET 95 N -5.43 0.66 -4.11 0.20 2.81 0.47 -4.92 117.12 106.80 2d8m n MET 95 Ca 0.05 -0.21 -0.32 0.00 -1.81 0.00 0.00 57.70 55.41 2d8m n MET 95 Cb 0.34 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.33 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 -0.98 -3.27 -4.17 0.03 1.74 0.50 -4.94 116.66 105.56 2d8m n ARG 96 Ca 0.14 0.39 -0.12 0.00 -0.77 0.00 0.00 57.85 57.49 2d8m n ARG 96 Cb 0.27 -4.86 -0.09 0.00 -1.02 0.00 0.00 32.46 26.76 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 -6.80 1.28 -0.35 5.56 1.70 -0.38 -4.82 118.95 115.14 2d8m s ARG 97 Ca 0.45 -1.59 -0.18 0.00 -0.47 0.00 0.00 55.73 53.93 2d8m s ARG 97 Cb -0.24 0.30 -0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2d8m s ARG 97 CO 0.91 -0.44 0.51 0.50 -1.08 0.00 0.00 175.30 175.70 2d8m s ARG 98 N -4.10 3.59 0.06 3.89 3.52 -1.26 -4.56 118.95 120.08 2d8m s ARG 98 Ca 0.37 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.75 2d8m s ARG 98 Cb 0.06 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 2d8m s ARG 98 CO 0.12 -0.66 0.23 -0.51 -0.81 0.00 0.00 175.30 173.68 2d8m s LEU 99 N 2.38 4.35 -0.50 -0.88 1.43 -1.26 -5.04 118.68 119.16 2d8m s LEU 99 Ca 0.18 0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.35 2d8m s LEU 99 Cb -0.16 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 2d8m s LEU 99 CO 0.13 0.18 1.79 -2.16 0.23 0.00 0.00 176.35 176.52 2d8m s PRO 100 N -2.39 2.97 0.56 1.29 0.04 -1.26 -4.85 135.00 131.36 2d8m s PRO 100 Ca 0.34 0.92 0.30 0.00 0.04 0.00 0.00 61.00 62.59 2d8m s PRO 100 Cb -0.13 -4.28 1.46 0.00 0.04 0.00 0.00 34.50 31.59 2d8m s PRO 100 CO 0.25 -2.31 1.89 1.03 0.04 0.00 0.00 177.00 177.91 2d8m h SER 101 N 13.78 0.00 -0.94 6.66 0.87 -1.96 0.46 113.55 132.42 2d8m h SER 101 Ca -0.29 0.00 0.20 0.00 -1.23 0.00 0.00 61.79 60.47 2d8m h SER 101 Cb 1.16 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.04 2d8m h SER 101 CO 1.14 0.00 0.61 -0.61 -0.53 0.00 0.00 176.83 177.44 2d8m h GLN 102 N 0.00 0.54 0.00 2.24 4.15 -1.99 0.42 115.11 120.47 2d8m h GLN 102 Ca 0.32 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.61 2d8m h GLN 102 Cb 1.45 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.00 2d8m h GLN 102 CO -0.00 0.35 -0.47 0.00 -1.93 0.00 0.00 178.83 176.78 2d8m h ARG 103 N 0.55 0.00 -0.64 1.69 3.08 -1.30 -2.98 114.38 114.78 2d8m h ARG 103 Ca 0.51 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.42 2d8m h ARG 103 Cb 1.06 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.02 2d8m h ARG 103 CO -0.25 0.47 0.17 0.66 -1.07 0.00 0.00 179.97 179.95 2d8m n TYR 104 N -3.53 2.19 -2.14 3.04 4.01 0.13 -4.96 117.16 115.91 2d8m n TYR 104 Ca -0.00 -1.07 -0.42 0.00 -0.16 0.00 0.00 57.90 56.24 2d8m n TYR 104 Cb 0.58 -0.61 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 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 -2.94 4.27 -0.16 7.72 1.43 -0.32 -3.13 118.68 125.56 2d8m s LEU 105 Ca 0.54 2.06 -0.23 0.00 -1.03 0.00 0.00 54.13 55.46 2d8m s LEU 105 Cb 0.43 -3.53 -0.20 0.00 0.03 0.00 0.00 46.19 42.91 2d8m s LEU 105 CO 0.13 -0.88 0.46 -0.03 0.23 0.00 0.00 176.35 176.26 2d8m h MET 106 N 9.15 0.00 -6.15 1.70 4.05 -1.43 -3.48 114.93 118.77 2d8m h MET 106 Ca -0.35 0.00 -0.59 0.00 -0.28 0.00 0.00 59.70 58.48 2d8m h MET 106 Cb 1.15 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.84 2d8m h MET 106 CO 0.96 0.86 -0.68 0.00 0.23 0.00 0.00 176.91 178.27 2d8m s ALA 107 N -2.33 3.01 0.00 0.39 0.00 -1.23 -5.07 121.76 116.53 2d8m s ALA 107 Ca -0.20 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 49.93 2d8m s ALA 107 Cb 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.66 2d8m s ALA 107 CO 0.57 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.96 2d8m n GLY 108 N -0.80 1.93 0.25 0.00 0.00 -1.26 -4.80 105.19 100.52 2d8m n GLY 108 Ca -0.05 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.44 2d8m n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8m h PRO 109 N 0.00 0.00 0.00 1.61 0.13 -2.01 -3.49 132.00 128.25 2d8m h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2d8m h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2d8m h PRO 109 CO 0.00 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.29 2d8m n GLY 110 N -0.05 -0.50 3.57 1.56 0.00 -1.26 -5.03 105.19 103.48 2d8m n GLY 110 Ca -0.00 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 2d8m n GLY 110 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d8m s SER 111 N -4.00 6.30 -0.16 1.61 1.04 -1.26 -4.68 113.70 112.54 2d8m s SER 111 Ca 0.00 -1.74 -0.17 0.00 0.48 0.00 0.00 55.95 54.53 2d8m s SER 111 Cb 0.00 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 2d8m s SER 111 CO 0.00 -1.71 -0.32 -0.24 0.98 0.00 0.00 173.24 171.95 2d8m n SER 112 N 9.92 1.79 -2.73 7.02 2.88 -1.26 -4.79 113.62 126.46 2d8m n SER 112 Ca 0.41 0.30 -0.24 0.00 -1.33 0.00 0.00 58.87 58.02 2d8m n SER 112 Cb 0.48 -0.72 -0.01 0.00 -0.75 0.00 0.00 64.21 63.21 2d8m n SER 112 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d8m n SER 113 N -4.31 3.82 -3.33 -3.46 2.88 -1.26 -4.95 113.62 103.00 2d8m n SER 113 Ca -0.13 -3.50 -0.36 0.00 -1.33 0.00 0.00 58.87 53.55 2d8m n SER 113 Cb 0.48 -0.52 -0.02 0.00 -0.75 0.00 0.00 64.21 63.40 2d8m n SER 113 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2d8m n GLU 114 N -0.27 3.19 -1.90 -1.46 0.28 -1.26 -4.93 120.64 114.29 2d8m n GLU 114 Ca 0.31 -2.06 -0.32 0.00 -0.16 0.00 0.00 57.16 54.92 2d8m n GLU 114 Cb 0.59 -2.78 0.02 0.00 1.43 0.00 0.00 31.44 30.71 2d8m n GLU 114 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2d8m s GLU 115 N 2.64 3.18 0.33 3.44 4.04 -1.26 -5.08 118.70 126.00 2d8m s GLU 115 Ca 0.60 1.14 0.05 0.00 0.04 0.00 0.00 54.97 56.81 2d8m s GLU 115 Cb 0.16 -2.02 -0.07 0.00 0.02 0.00 0.00 34.13 32.23 2d8m s GLU 115 CO -0.05 -0.91 0.01 0.34 -1.84 0.00 0.00 175.26 172.80 2d8m s ASP 116 N -3.06 2.83 -0.16 0.83 2.15 -1.26 -5.08 116.67 112.91 2d8m s ASP 116 Ca 0.62 -1.31 -0.09 0.00 0.43 0.00 0.00 52.55 52.20 2d8m s ASP 116 Cb -0.16 -0.18 -0.07 0.00 -0.30 0.00 0.00 42.92 42.21 2d8m s ASP 116 CO 0.42 -0.48 -0.22 -0.62 -0.17 0.00 0.00 175.17 174.09 2d8m n GLU 117 N -0.71 0.36 -3.04 4.34 -0.58 -1.26 -5.04 120.64 114.71 2d8m n GLU 117 Ca -0.04 0.16 -0.12 0.00 -0.42 0.00 0.00 57.16 56.73 2d8m n GLU 117 Cb 0.66 -1.11 0.05 0.00 -0.57 0.00 0.00 31.44 30.46 2d8m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8m n ALA 118 N -3.80 -0.84 -3.19 0.62 0.00 -1.26 -5.04 120.51 107.00 2d8m n ALA 118 Ca -0.32 0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 2d8m n ALA 118 Cb 0.70 -2.89 -0.16 0.00 0.00 0.00 0.00 19.45 17.10 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 -3.33 1.82 -0.02 0.00 0.15 -1.26 -5.13 113.70 105.92 2d8m s SER 119 Ca 0.25 -0.30 -0.13 0.00 0.70 0.00 0.00 55.95 56.46 2d8m s SER 119 Cb -0.11 -0.66 -0.05 0.00 -1.71 0.00 0.00 66.02 63.48 2d8m s SER 119 CO 0.41 0.08 0.36 -2.28 1.20 0.00 0.00 173.24 173.01 2d8m s HIS 120 N 0.36 3.71 -0.23 3.44 2.46 -1.26 -5.01 115.29 118.76 2d8m s HIS 120 Ca -0.09 0.91 -0.16 0.00 0.47 0.00 0.00 55.06 56.20 2d8m s HIS 120 Cb -0.13 -2.23 -0.10 0.00 -0.13 0.00 0.00 32.58 29.99 2d8m s HIS 120 CO 0.03 0.66 -0.29 0.45 -2.47 0.00 0.00 174.74 173.12 2d8m n SER 121 N 1.85 1.93 0.00 9.88 2.88 -1.26 -5.13 113.62 123.77 2d8m n SER 121 Ca -0.15 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2d8m n SER 121 Cb 0.53 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2d8m n SER 121 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d8m n GLY 122 N 1.36 -1.45 3.55 0.46 0.00 -1.26 -5.06 105.19 102.80 2d8m n GLY 122 Ca -0.36 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 2d8m n GLY 122 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d8m s GLY 123 N 0.00 0.79 -0.16 -0.02 0.00 -1.26 -4.97 107.32 101.70 2d8m s GLY 123 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.37 2d8m s GLY 123 CO 0.00 2.81 -0.19 -0.45 0.00 0.00 0.00 173.10 175.27 2d8m s SER 124 N 4.77 3.31 0.00 1.64 0.15 -1.26 -5.02 113.70 117.29 2d8m s SER 124 Ca 0.43 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2d8m s SER 124 Cb -0.08 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2d8m s SER 124 CO 0.12 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2d8m n GLY 125 N 4.25 -1.67 3.67 9.45 0.00 -1.26 -4.37 105.19 115.26 2d8m n GLY 125 Ca -0.20 0.89 -0.29 0.00 0.00 0.00 0.00 46.02 46.42 2d8m n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8m s PRO 126 N 0.00 0.23 1.03 1.61 0.04 -1.26 -5.02 135.00 131.63 2d8m s PRO 126 Ca 0.00 0.45 -0.12 0.00 0.04 0.00 0.00 61.00 61.37 2d8m s PRO 126 Cb 0.00 -1.72 0.21 0.00 0.04 0.00 0.00 34.50 33.03 2d8m s PRO 126 CO 0.00 -2.85 1.07 0.45 0.04 0.00 0.00 177.00 175.71 2d8m s SER 127 N -3.48 2.18 1.02 6.66 0.15 -1.26 -5.03 113.70 113.94 2d8m s SER 127 Ca 0.66 1.56 -0.13 0.00 0.70 0.00 0.00 55.95 58.74 2d8m s SER 127 Cb -0.18 -2.24 0.18 0.00 -1.71 0.00 0.00 66.02 62.07 2d8m s SER 127 CO 0.58 -3.46 1.01 -1.20 1.20 0.00 0.00 173.24 171.37 2d8m n SER 128 N -4.43 -0.16 0.00 5.45 7.64 -1.26 -5.22 113.62 115.64 2d8m n SER 128 Ca 0.06 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.61 2d8m n SER 128 Cb 0.55 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2d8m n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64