#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 -0.28 0.17 1.61 0.01 -1.26 -5.19 113.70 108.77 2d8m s SER 2 Ca 0.00 -0.54 -0.12 0.00 1.31 0.00 0.00 55.95 56.61 2d8m s SER 2 Cb 0.00 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2d8m s SER 2 CO 0.00 -1.19 0.35 -0.94 0.41 0.00 0.00 173.24 171.87 2d8m s SER 3 N -2.90 -0.05 0.00 2.44 1.04 -1.26 -5.15 113.70 107.82 2d8m s SER 3 Ca 0.11 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2d8m s SER 3 Cb -0.03 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2d8m s SER 3 CO 0.02 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2d8m n GLY 4 N -0.25 2.99 3.61 7.32 0.00 -1.26 -5.17 105.19 112.43 2d8m n GLY 4 Ca -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.99 -0.00 1.61 0.15 -1.26 -5.16 113.70 108.05 2d8m s SER 5 Ca 0.00 1.49 0.01 0.00 0.70 0.00 0.00 55.95 58.15 2d8m s SER 5 Cb 0.00 1.78 -0.00 0.00 -1.71 0.00 0.00 66.02 66.09 2d8m s SER 5 CO 0.00 -0.23 -0.02 -0.44 1.20 0.00 0.00 173.24 173.75 2d8m s SER 6 N 2.25 0.30 0.00 5.45 0.01 -1.26 -5.06 113.70 115.39 2d8m s SER 6 Ca -0.08 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2d8m s SER 6 Cb -0.09 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2d8m s SER 6 CO -0.19 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2d8m n GLY 7 N 3.03 2.28 3.25 3.44 0.00 -1.26 -5.15 105.19 110.78 2d8m n GLY 7 Ca -0.13 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.76 1.44 0.56 1.61 2.02 -1.26 -5.13 118.70 117.18 2d8m s GLU 8 Ca 0.00 -0.91 -0.19 0.00 0.02 0.00 0.00 54.97 53.89 2d8m s GLU 8 Cb 0.00 -1.53 -0.05 0.00 0.10 0.00 0.00 34.13 32.65 2d8m s GLU 8 CO 0.00 0.40 1.13 -1.25 0.02 0.00 0.00 175.26 175.55 2d8m s PRO 9 N -1.07 3.28 -0.53 0.39 0.04 -1.26 -4.97 135.00 130.88 2d8m s PRO 9 Ca 0.08 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 2d8m s PRO 9 Cb -0.09 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.49 2d8m s PRO 9 CO 0.01 -0.90 1.03 -0.98 0.04 0.00 0.00 177.00 176.20 2d8m s ARG 10 N -3.40 3.48 0.02 4.56 1.70 -1.26 -5.01 118.95 119.04 2d8m s ARG 10 Ca 0.72 0.09 0.03 0.00 -0.47 0.00 0.00 55.73 56.09 2d8m s ARG 10 Cb -0.23 -3.99 -0.01 0.00 -0.57 0.00 0.00 34.95 30.14 2d8m s ARG 10 CO 0.29 -1.46 -0.08 1.03 -1.08 0.00 0.00 175.30 174.00 2d8m s ARG 11 N 4.24 0.60 -0.58 3.89 1.81 -1.26 -5.10 118.95 122.55 2d8m s ARG 11 Ca 0.38 -0.49 -0.27 0.00 -1.72 0.00 0.00 55.73 53.63 2d8m s ARG 11 Cb -0.10 -0.52 -0.02 0.00 -0.45 0.00 0.00 34.95 33.86 2d8m s ARG 11 CO 0.24 0.13 1.85 -1.25 -0.68 0.00 0.00 175.30 175.59 2d8m s PRO 12 N -0.76 2.70 -0.01 3.54 0.04 -1.26 -4.96 135.00 134.28 2d8m s PRO 12 Ca -0.01 0.69 0.05 0.00 0.04 0.00 0.00 61.00 61.76 2d8m s PRO 12 Cb -0.06 -4.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.11 2d8m s PRO 12 CO 0.00 -2.64 -0.15 1.03 0.04 0.00 0.00 177.00 175.28 2d8m s ARG 13 N 6.90 1.26 -0.65 4.56 0.52 -1.26 -5.04 118.95 125.24 2d8m s ARG 13 Ca 0.68 -0.53 -0.01 0.00 -0.52 0.00 0.00 55.73 55.35 2d8m s ARG 13 Cb -0.13 -1.20 0.44 0.00 0.52 0.00 0.00 34.95 34.58 2d8m s ARG 13 CO 0.22 0.31 1.95 0.00 0.02 0.00 0.00 175.30 177.80 2d8m n ALA 14 N 2.77 6.22 -0.46 2.13 0.00 -1.26 -5.02 120.51 124.90 2d8m n ALA 14 Ca -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.72 2d8m n ALA 14 Cb 0.55 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.87 -3.28 0.00 0.00 0.00 -1.26 -4.25 105.19 95.53 2d8m n GLY 15 Ca 0.60 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.49 0.30 -0.03 1.61 -0.04 -1.26 -3.02 135.00 131.07 2d8m n PRO 16 Ca 0.00 0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 2d8m n PRO 16 Cb 0.09 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.95 2d8m n PRO 16 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2d8m h GLU 17 N 0.00 0.26 -0.54 0.54 4.11 -1.90 0.67 114.58 117.72 2d8m h GLU 17 Ca 0.00 -0.22 0.10 0.00 0.07 0.00 0.00 59.36 59.31 2d8m h GLU 17 Cb 0.09 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 2d8m h GLU 17 CO 0.00 0.87 0.09 1.49 0.07 0.00 0.00 179.01 181.53 2d8m h GLU 18 N -0.28 0.22 0.13 1.06 4.57 -1.71 -1.12 114.58 117.44 2d8m h GLU 18 Ca -0.02 -0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 57.84 2d8m h GLU 18 Cb 0.92 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2d8m h GLU 18 CO 0.05 0.14 -1.52 -0.07 -1.18 0.00 0.00 179.01 176.44 2d8m h LEU 19 N 0.22 0.43 0.00 1.64 4.07 -1.73 -3.28 115.31 116.66 2d8m h LEU 19 Ca 0.28 -0.58 0.00 0.00 0.08 0.00 0.00 57.88 57.66 2d8m h LEU 19 Cb 0.40 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2d8m h LEU 19 CO -0.37 1.48 0.00 0.61 -1.08 0.00 0.00 178.44 179.07 2d8m n GLY 20 N 1.67 -0.60 1.00 0.83 0.00 0.23 -0.52 105.19 107.81 2d8m n GLY 20 Ca -0.16 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 45.94 2d8m n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d8m n LYS 21 N -1.49 2.52 -0.08 1.61 4.76 -0.47 -4.09 118.16 120.92 2d8m n LYS 21 Ca 0.01 -2.24 -0.07 0.00 -2.87 0.00 0.00 58.31 53.13 2d8m n LYS 21 Cb 0.04 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 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 1.18 1.44 -1.41 -0.18 5.41 0.32 -4.49 119.36 121.63 2d8m n ILE 22 Ca 0.18 0.18 -0.31 0.00 1.00 0.00 0.00 62.75 63.79 2d8m n ILE 22 Cb 0.53 -2.35 0.09 0.00 -0.71 0.00 0.00 39.64 37.19 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 -4.58 7.15 -4.66 1.39 4.77 0.12 -4.86 117.00 116.33 2d8m n LEU 23 Ca -0.11 -4.25 -0.42 0.00 -0.03 0.00 0.00 56.01 51.20 2d8m n LEU 23 Cb 0.34 -0.87 -0.03 0.00 -2.33 0.00 0.00 43.42 40.53 2d8m n LEU 23 CO 0.13 1.50 1.40 -1.58 -1.33 0.00 0.00 177.39 177.50 2d8m s GLN 24 N -3.72 4.18 0.00 3.23 -0.44 -1.24 -1.77 119.66 119.89 2d8m s GLN 24 Ca 0.62 2.25 0.00 0.00 -2.50 0.00 0.00 55.36 55.73 2d8m s GLN 24 Cb 0.49 -3.99 0.00 0.00 -1.64 0.00 0.00 33.01 27.87 2d8m s GLN 24 CO 0.01 -0.85 0.00 0.41 0.50 0.00 0.00 175.29 175.36 2d8m n GLY 25 N 4.18 0.77 3.72 2.59 0.00 -1.26 -5.06 105.19 110.13 2d8m n GLY 25 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.16 4.46 -0.17 1.61 1.01 -0.73 -5.04 120.40 119.38 2d8m s VAL 26 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2d8m s VAL 26 Cb 0.00 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.45 2d8m s VAL 26 CO 0.00 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 2d8m s VAL 27 N -1.05 1.59 0.32 2.92 1.01 -1.26 -1.66 120.40 122.27 2d8m s VAL 27 Ca 0.18 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.42 2d8m s VAL 27 Cb -0.12 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2d8m s VAL 27 CO 0.08 0.30 0.25 0.68 0.00 0.00 0.00 175.10 176.41 2d8m s VAL 28 N 1.45 3.67 -0.05 2.92 -7.23 -0.13 -1.68 120.40 119.36 2d8m s VAL 28 Ca 0.02 -1.43 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2d8m s VAL 28 Cb -0.15 -3.20 0.03 0.00 0.56 0.00 0.00 36.38 33.62 2d8m s VAL 28 CO -0.09 -0.22 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.78 2d8m s VAL 29 N -2.28 0.30 -0.30 1.32 1.01 -1.15 -2.58 120.40 116.71 2d8m s VAL 29 Ca 0.38 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 2d8m s VAL 29 Cb -0.06 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2d8m s VAL 29 CO 0.26 0.20 0.89 -0.76 0.00 0.00 0.00 175.10 175.68 2d8m s LEU 30 N 1.35 4.04 -0.02 3.92 1.43 -1.26 -1.24 118.68 126.90 2d8m s LEU 30 Ca -0.05 0.84 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 2d8m s LEU 30 Cb -0.13 -3.25 -0.00 0.00 0.03 0.00 0.00 46.19 42.84 2d8m s LEU 30 CO -0.02 -0.69 -0.10 -0.55 0.23 0.00 0.00 176.35 175.21 2d8m s SER 31 N 1.59 1.28 -0.93 2.29 0.15 -0.90 -4.80 113.70 112.39 2d8m s SER 31 Ca 0.37 -0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.78 2d8m s SER 31 Cb -0.14 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2d8m s SER 31 CO 0.13 0.09 0.56 0.61 1.20 0.00 0.00 173.24 175.83 2d8m n GLY 32 N 3.14 -0.04 3.32 9.45 0.00 -1.26 -2.76 105.19 117.03 2d8m n GLY 32 Ca -0.17 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.06 2.31 -0.11 1.61 0.08 -1.26 -4.57 117.98 112.97 2d8m s PHE 33 Ca 0.28 -0.43 0.01 0.00 0.12 0.00 0.00 56.93 56.91 2d8m s PHE 33 Cb -0.12 -1.45 0.02 0.00 -0.57 0.00 0.00 43.02 40.89 2d8m s PHE 33 CO 0.34 0.01 -0.13 1.14 -0.10 0.00 0.00 175.22 176.49 2d8m s GLN 34 N -0.81 2.02 0.74 0.44 -2.07 -1.26 -4.71 119.66 114.00 2d8m s GLN 34 Ca 0.10 -0.48 -0.16 0.00 -1.82 0.00 0.00 55.36 53.00 2d8m s GLN 34 Cb -0.10 -1.78 -0.03 0.00 -1.09 0.00 0.00 33.01 30.01 2d8m s GLN 34 CO 0.00 -0.10 0.51 0.27 -1.32 0.00 0.00 175.29 174.65 2d8m n ASN 35 N 4.32 -1.28 0.21 12.60 0.23 -1.26 -2.31 115.26 127.77 2d8m n ASN 35 Ca -0.18 0.57 0.08 0.00 -0.53 0.00 0.00 54.58 54.52 2d8m n ASN 35 Cb 0.51 -1.21 0.46 0.00 -2.08 0.00 0.00 39.78 37.46 2d8m n ASN 35 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2d8m h PRO 36 N -0.46 0.00 -0.73 -0.53 0.13 -2.01 -3.44 132.00 124.96 2d8m h PRO 36 Ca -0.45 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.77 2d8m h PRO 36 Cb 1.34 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.37 2d8m h PRO 36 CO 0.42 0.28 -0.36 0.34 -0.23 0.00 0.00 178.00 178.45 2d8m n PHE 37 N -3.59 -0.16 -0.31 1.56 7.35 -0.98 0.21 117.46 121.55 2d8m n PHE 37 Ca -0.01 0.91 0.10 0.00 -0.76 0.00 0.00 57.45 57.69 2d8m n PHE 37 Cb 0.41 -0.66 0.27 0.00 0.35 0.00 0.00 39.48 39.85 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 0.56 0.48 -4.13 2.43 -1.79 0.18 114.38 112.10 2d8m h ARG 38 Ca 0.18 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2d8m h ARG 38 Cb 0.37 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2d8m h ARG 38 CO -0.71 0.37 -0.23 0.77 -1.51 0.00 0.00 179.97 178.66 2d8m h SER 39 N 0.57 -0.55 -0.49 -3.80 0.02 0.22 -2.00 113.55 107.52 2d8m h SER 39 Ca 0.51 -0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.50 2d8m h SER 39 Cb 0.83 0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.42 2d8m h SER 39 CO -0.42 -0.15 -0.11 -0.08 -1.14 0.00 0.00 176.83 174.93 2d8m h GLU 40 N -1.05 0.01 -0.81 3.45 4.81 -0.35 -0.35 114.58 120.30 2d8m h GLU 40 Ca -0.07 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2d8m h GLU 40 Cb 0.58 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 2d8m h GLU 40 CO 0.11 0.01 0.50 1.25 -0.73 0.00 0.00 179.01 180.15 2d8m h LEU 41 N 0.01 0.79 0.69 1.64 5.85 -0.72 -2.66 115.31 120.91 2d8m h LEU 41 Ca 0.24 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2d8m h LEU 41 Cb 0.36 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2d8m h LEU 41 CO -0.50 0.52 -0.50 -0.09 -0.34 0.00 0.00 178.44 177.53 2d8m h ARG 42 N 0.93 -1.10 -0.68 1.25 2.43 -0.30 -1.77 114.38 115.14 2d8m h ARG 42 Ca 0.35 0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.70 2d8m h ARG 42 Cb 0.13 0.25 -0.12 0.00 -0.42 0.00 0.00 29.97 29.81 2d8m h ARG 42 CO -0.16 -0.73 -0.41 0.22 -1.51 0.00 0.00 179.97 177.38 2d8m h ASP 43 N -1.14 -1.45 -0.71 -3.80 3.58 -1.15 0.20 116.42 111.96 2d8m h ASP 43 Ca -0.09 0.26 0.14 0.00 0.42 0.00 0.00 57.03 57.75 2d8m h ASP 43 Cb 0.94 0.69 -0.09 0.00 1.72 0.00 0.00 39.33 42.58 2d8m h ASP 43 CO 0.04 -0.31 0.23 0.11 -2.88 0.00 0.00 179.24 176.43 2d8m h LYS 44 N -0.16 0.35 0.00 0.28 1.57 -1.34 0.26 116.57 117.53 2d8m h LYS 44 Ca 0.22 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2d8m h LYS 44 Cb 0.56 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2d8m h LYS 44 CO -0.75 0.23 -0.11 0.00 -0.57 0.00 0.00 179.45 178.25 2d8m h ALA 45 N 1.54 1.82 -0.13 3.86 0.00 0.24 -2.56 119.26 124.03 2d8m h ALA 45 Ca 0.38 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2d8m h ALA 45 Cb 0.59 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2d8m h ALA 45 CO -0.42 0.13 -0.49 -0.07 0.00 0.00 0.00 179.25 178.40 2d8m h LEU 46 N 0.00 0.66 -0.33 0.00 3.38 0.11 -2.35 115.31 116.77 2d8m h LEU 46 Ca -0.00 -0.61 0.07 0.00 0.09 0.00 0.00 57.88 57.43 2d8m h LEU 46 Cb 0.19 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 2d8m h LEU 46 CO 0.01 1.16 -0.19 -0.33 0.09 0.00 0.00 178.44 179.19 2d8m h GLU 47 N 0.19 -0.14 0.00 1.13 4.39 -0.81 0.37 114.58 119.71 2d8m h GLU 47 Ca -0.02 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2d8m h GLU 47 Cb 1.12 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2d8m h GLU 47 CO 0.10 -0.09 0.19 -0.07 -1.16 0.00 0.00 179.01 177.98 2d8m h LEU 48 N -0.14 0.00 0.00 1.33 3.38 -1.60 0.59 115.31 118.87 2d8m h LEU 48 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2d8m h LEU 48 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 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 -1.21 0.93 3.89 0.83 0.00 0.13 0.15 105.19 109.90 2d8m n GLY 49 Ca -0.02 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 3.65 -0.20 4.61 0.00 -0.89 -4.29 121.76 122.65 2d8m s ALA 50 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.35 2d8m s ALA 50 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 2d8m s ALA 50 CO 0.00 0.51 0.48 0.15 0.00 0.00 0.00 175.76 176.90 2d8m s LYS 51 N -2.92 4.19 -0.38 0.00 3.01 -0.66 -4.30 119.74 118.67 2d8m s LYS 51 Ca 0.45 0.35 -0.18 0.00 -1.01 0.00 0.00 55.97 55.58 2d8m s LYS 51 Cb -0.11 -3.55 0.01 0.00 -1.01 0.00 0.00 37.83 33.16 2d8m s LYS 51 CO 0.24 -0.12 0.50 -0.47 0.51 0.00 0.00 175.35 176.01 2d8m s TYR 52 N 1.54 3.16 -0.02 3.18 5.04 -1.26 -0.96 117.35 128.03 2d8m s TYR 52 Ca 0.23 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 2d8m s TYR 52 Cb -0.15 -2.96 -0.04 0.00 0.35 0.00 0.00 41.96 39.17 2d8m s TYR 52 CO 0.09 -0.62 0.02 1.03 -1.34 0.00 0.00 175.55 174.73 2d8m s ARG 53 N 2.35 2.91 0.42 4.97 1.81 -1.06 -5.01 118.95 125.34 2d8m s ARG 53 Ca 0.17 -0.52 0.21 0.00 -1.72 0.00 0.00 55.73 53.87 2d8m s ARG 53 Cb -0.16 -2.76 0.92 0.00 -0.45 0.00 0.00 34.95 32.51 2d8m s ARG 53 CO 0.14 0.65 1.84 -1.00 -0.68 0.00 0.00 175.30 176.26 2d8m h PRO 54 N 4.47 0.00 -4.10 3.54 0.13 -1.93 -3.35 132.00 130.76 2d8m h PRO 54 Ca -0.50 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 2d8m h PRO 54 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 2d8m h PRO 54 CO 0.58 0.28 -0.67 -0.51 -0.23 0.00 0.00 178.00 177.45 2d8m s ASP 55 N -6.37 0.37 -0.84 1.44 1.01 -1.26 -4.93 116.67 106.09 2d8m s ASP 55 Ca -0.01 -0.78 -0.26 0.00 0.71 0.00 0.00 52.55 52.22 2d8m s ASP 55 Cb 0.12 0.17 -0.12 0.00 1.01 0.00 0.00 42.92 44.09 2d8m s ASP 55 CO 0.66 -0.49 2.29 0.86 0.21 0.00 0.00 175.17 178.70 2d8m s TRP 56 N -2.93 1.30 0.52 4.23 -0.11 -1.26 -4.92 118.94 115.77 2d8m s TRP 56 Ca -0.02 1.70 -0.09 0.00 1.22 0.00 0.00 56.10 58.90 2d8m s TRP 56 Cb 0.01 -3.57 -0.05 0.00 -1.50 0.00 0.00 33.47 28.36 2d8m s TRP 56 CO -0.06 -1.55 0.90 -0.08 -4.62 0.00 0.00 176.95 171.53 2d8m s THR 57 N 13.86 4.77 -0.41 5.86 -1.32 -1.26 -4.93 115.64 132.21 2d8m s THR 57 Ca 0.87 0.64 0.16 0.00 -1.21 0.00 0.00 61.69 62.14 2d8m s THR 57 Cb -0.11 -3.83 0.16 0.00 -1.51 0.00 0.00 72.50 67.21 2d8m s THR 57 CO 0.07 -0.89 1.47 -1.14 -2.21 0.00 0.00 174.62 171.92 2d8m n ARG 58 N -2.21 0.10 0.07 7.08 0.63 -1.26 -0.40 116.66 120.67 2d8m n ARG 58 Ca 0.04 0.60 0.05 0.00 -0.92 0.00 0.00 57.85 57.61 2d8m n ARG 58 Cb 0.54 -1.84 -0.04 0.00 0.45 0.00 0.00 32.46 31.57 2d8m n ARG 58 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2d8m h ASP 59 N 0.00 0.00 -2.81 6.15 5.19 -1.97 -3.47 116.42 119.51 2d8m h ASP 59 Ca 0.00 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.86 2d8m h ASP 59 Cb 0.01 0.00 0.07 0.00 0.18 0.00 0.00 39.33 39.60 2d8m h ASP 59 CO 0.00 0.34 0.84 -1.20 -3.12 0.00 0.00 179.24 176.10 2d8m n SER 60 N -2.82 3.51 -0.08 6.45 7.64 0.47 -4.76 113.62 124.03 2d8m n SER 60 Ca -0.05 1.11 -0.11 0.00 1.01 0.00 0.00 58.87 60.83 2d8m n SER 60 Cb 0.72 -1.52 -0.08 0.00 -1.01 0.00 0.00 64.21 62.32 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 2.76 0.96 -4.77 0.44 -2.24 -0.93 -4.93 114.28 105.56 2d8m n THR 61 Ca 0.12 -0.39 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 2d8m n THR 61 Cb 0.34 -1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 67.37 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 -2.33 1.63 -0.12 4.78 3.76 -0.67 -3.42 115.29 118.91 2d8m s HIS 62 Ca -0.21 -0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.36 2d8m s HIS 62 Cb 0.06 -1.02 -0.03 0.00 1.11 0.00 0.00 32.58 32.70 2d8m s HIS 62 CO 0.40 0.01 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.06 2d8m s LEU 63 N -0.66 3.09 -0.56 0.89 2.96 -0.36 -2.95 118.68 121.10 2d8m s LEU 63 Ca 0.07 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 2d8m s LEU 63 Cb -0.07 -1.71 0.14 0.00 0.50 0.00 0.00 46.19 45.05 2d8m s LEU 63 CO 0.00 0.24 0.48 -0.63 -1.32 0.00 0.00 176.35 175.12 2d8m s ILE 64 N -0.07 4.82 -0.04 6.68 -1.09 -0.38 -1.88 121.20 129.24 2d8m s ILE 64 Ca 0.00 -1.82 -0.14 0.00 -2.23 0.00 0.00 60.65 56.46 2d8m s ILE 64 Cb -0.13 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 2d8m s ILE 64 CO 0.03 -0.86 0.36 0.00 -1.23 0.00 0.00 174.94 173.24 2d8m h ALA 66 N 5.01 0.59 -2.47 0.00 0.00 -1.76 -3.29 119.26 117.34 2d8m h ALA 66 Ca -0.51 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.09 2d8m h ALA 66 Cb 1.21 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 2d8m h ALA 66 CO 0.63 0.68 0.43 -0.59 0.00 0.00 0.00 179.25 180.40 2d8m s PHE 67 N -4.39 -0.19 0.72 0.00 -0.71 -1.26 -4.88 117.98 107.27 2d8m s PHE 67 Ca -0.11 -0.12 -0.12 0.00 -1.04 0.00 0.00 56.93 55.54 2d8m s PHE 67 Cb 0.11 0.64 0.18 0.00 -1.21 0.00 0.00 43.02 42.74 2d8m s PHE 67 CO 0.88 -0.86 0.60 0.00 -1.34 0.00 0.00 175.22 174.50 2d8m n ALA 68 N -0.44 -2.11 -4.01 1.99 0.00 -1.26 -4.16 120.51 110.52 2d8m n ALA 68 Ca -0.07 -0.92 -0.30 0.00 0.00 0.00 0.00 53.44 52.16 2d8m n ALA 68 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2d8m n ALA 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2d8m n ASN 69 N -4.15 -2.37 -4.50 0.00 0.23 -1.26 -4.96 115.26 98.25 2d8m n ASN 69 Ca 0.08 -0.94 -0.25 0.00 -0.53 0.00 0.00 54.58 52.95 2d8m n ASN 69 Cb 0.33 -3.24 -0.10 0.00 -2.08 0.00 0.00 39.78 34.70 2d8m n ASN 69 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2d8m s THR 70 N -3.57 2.67 0.23 5.53 -4.23 -1.26 -5.05 115.64 109.96 2d8m s THR 70 Ca 0.39 -2.21 -0.01 0.00 -1.18 0.00 0.00 61.69 58.69 2d8m s THR 70 Cb -0.21 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 2d8m s THR 70 CO 0.88 -0.33 1.59 1.55 -0.54 0.00 0.00 174.62 177.77 2d8m h PRO 71 N 2.41 0.52 0.00 3.99 0.13 -1.94 -2.85 132.00 134.26 2d8m h PRO 71 Ca -0.42 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2d8m h PRO 71 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2d8m h PRO 71 CO 0.58 0.85 -0.11 1.63 -0.23 0.00 0.00 178.00 180.72 2d8m n LYS 72 N -4.01 0.27 0.08 0.86 4.76 -1.26 -2.16 118.16 116.69 2d8m n LYS 72 Ca -0.02 0.20 -0.22 0.00 -2.87 0.00 0.00 58.31 55.40 2d8m n LYS 72 Cb 0.53 -1.79 -0.13 0.00 -1.84 0.00 0.00 35.03 31.79 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 0.00 0.90 -0.00 2.13 3.20 -1.86 -3.05 116.97 118.29 2d8m h TYR 73 Ca 0.00 -0.57 0.00 0.00 3.14 0.00 0.00 58.73 61.30 2d8m h TYR 73 Cb 0.75 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2d8m h TYR 73 CO 0.00 1.42 -0.51 0.45 -1.64 0.00 0.00 178.16 177.88 2d8m n SER 74 N -3.90 0.55 0.09 -2.11 2.88 -1.13 -3.15 113.62 106.86 2d8m n SER 74 Ca -0.14 -0.32 -0.18 0.00 -1.33 0.00 0.00 58.87 56.90 2d8m n SER 74 Cb 0.93 0.28 -0.14 0.00 -0.75 0.00 0.00 64.21 64.52 2d8m n SER 74 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2d8m h GLN 75 N 0.07 0.31 0.00 -1.46 4.15 -1.50 -3.27 115.11 113.41 2d8m h GLN 75 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2d8m h GLN 75 Cb 0.50 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.39 2d8m h GLN 75 CO 0.00 1.21 -0.75 0.28 -1.93 0.00 0.00 178.83 177.65 2d8m n VAL 76 N -3.53 0.30 0.01 2.39 0.31 -1.15 -3.97 118.33 112.68 2d8m n VAL 76 Ca -0.14 -0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 63.80 2d8m n VAL 76 Cb 1.05 -0.03 -0.10 0.00 -0.91 0.00 0.00 33.84 33.85 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 -0.06 -1.39 7.52 5.85 -1.64 -1.17 115.31 124.42 2d8m h LEU 77 Ca 0.00 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.23 2d8m h LEU 77 Cb 0.74 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2d8m h LEU 77 CO 0.00 0.49 0.42 1.23 -0.34 0.00 0.00 178.44 180.24 2d8m h GLY 78 N -0.65 0.88 1.01 3.75 0.00 -1.72 -2.44 103.07 103.89 2d8m h GLY 78 Ca -0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 2d8m h GLY 78 CO 0.01 0.32 0.02 1.41 0.00 0.00 0.00 176.54 178.30 2d8m h LEU 79 N 0.84 0.85 0.00 3.11 3.38 -1.68 -3.47 115.31 118.34 2d8m h LEU 79 Ca 0.23 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2d8m h LEU 79 Cb -0.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.45 2d8m h LEU 79 CO -0.05 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.02 2d8m n GLY 80 N -0.42 1.47 3.97 0.83 0.00 -0.92 -5.13 105.19 104.99 2d8m n GLY 80 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 1.74 -0.79 -0.02 0.00 -0.48 -5.04 107.32 100.73 2d8m s GLY 81 Ca 0.00 -1.31 -0.21 0.00 0.00 0.00 0.00 44.72 43.20 2d8m s GLY 81 CO 0.00 -1.10 1.05 -1.60 0.00 0.00 0.00 173.10 171.44 2d8m s ARG 82 N -4.56 3.35 -0.36 2.90 6.06 -1.22 -4.79 118.95 120.33 2d8m s ARG 82 Ca 0.53 -1.28 -0.24 0.00 -2.50 0.00 0.00 55.73 52.24 2d8m s ARG 82 Cb -0.10 -4.59 0.01 0.00 0.06 0.00 0.00 34.95 30.33 2d8m s ARG 82 CO 0.37 -1.80 0.80 0.42 -2.50 0.00 0.00 175.30 172.59 2d8m s ILE 83 N 3.43 4.72 0.05 4.11 1.01 -1.26 -1.22 121.20 132.03 2d8m s ILE 83 Ca 0.27 0.96 0.04 0.00 0.00 0.00 0.00 60.65 61.92 2d8m s ILE 83 Cb -0.11 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 2d8m s ILE 83 CO 0.00 -0.43 -0.12 0.68 0.00 0.00 0.00 174.94 175.07 2d8m s VAL 84 N 3.14 0.93 1.22 2.92 -7.23 -0.79 -2.02 120.40 118.56 2d8m s VAL 84 Ca 0.32 -1.07 -0.14 0.00 -1.81 0.00 0.00 61.98 59.29 2d8m s VAL 84 Cb -0.13 -0.89 0.31 0.00 0.56 0.00 0.00 36.38 36.23 2d8m s VAL 84 CO 0.17 -0.16 1.01 -0.13 -0.31 0.00 0.00 175.10 175.68 2d8m s ARG 85 N -1.38 -1.36 0.15 4.82 0.52 -1.18 -3.22 118.95 117.30 2d8m s ARG 85 Ca -0.02 0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 2d8m s ARG 85 Cb -0.09 -1.51 -0.04 0.00 0.52 0.00 0.00 34.95 33.84 2d8m s ARG 85 CO 0.01 -3.99 1.35 1.57 0.02 0.00 0.00 175.30 174.27 2d8m h LYS 86 N -2.81 0.37 -1.21 3.54 2.10 -1.90 -3.22 116.57 113.44 2d8m h LYS 86 Ca -0.61 -0.37 0.35 0.00 -2.00 0.00 0.00 60.65 58.02 2d8m h LYS 86 Cb 1.34 0.10 -0.05 0.00 -0.90 0.00 0.00 32.23 32.72 2d8m h LYS 86 CO 0.48 1.04 1.20 0.39 -2.00 0.00 0.00 179.45 180.56 2d8m n GLU 87 N -3.76 0.01 0.46 0.07 -0.58 -1.26 0.04 120.64 115.62 2d8m n GLU 87 Ca -0.05 0.97 -0.18 0.00 -0.42 0.00 0.00 57.16 57.48 2d8m n GLU 87 Cb 0.79 -2.37 -0.09 0.00 -0.57 0.00 0.00 31.44 29.21 2d8m n GLU 87 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 2d8m h TRP 88 N 0.00 -1.09 -0.71 -0.32 7.01 -1.93 -1.54 115.95 117.36 2d8m h TRP 88 Ca 0.57 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.57 2d8m h TRP 88 Cb 2.96 0.36 -0.04 0.00 -2.10 0.00 0.00 29.16 30.34 2d8m h TRP 88 CO 0.00 -0.68 0.46 0.28 -2.79 0.00 0.00 178.44 175.71 2d8m h VAL 89 N -1.28 1.13 0.07 2.65 2.07 -0.63 -1.45 116.25 118.81 2d8m h VAL 89 Ca -0.12 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.11 2d8m h VAL 89 Cb 0.90 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2d8m h VAL 89 CO 0.20 0.17 -0.35 -0.07 0.02 0.00 0.00 177.57 177.53 2d8m h LEU 90 N 0.91 -1.04 0.65 2.57 -0.00 -1.44 -2.49 115.31 114.47 2d8m h LEU 90 Ca 0.27 0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 58.25 2d8m h LEU 90 Cb -0.04 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2d8m h LEU 90 CO -0.09 -0.43 -0.34 0.44 -0.00 0.00 0.00 178.44 178.02 2d8m h ASP 91 N -0.55 -0.84 -1.19 -0.43 5.19 -1.09 0.19 116.42 117.70 2d8m h ASP 91 Ca 0.04 0.04 0.38 0.00 -0.62 0.00 0.00 57.03 56.87 2d8m h ASP 91 Cb 0.60 0.23 -0.08 0.00 0.18 0.00 0.00 39.33 40.26 2d8m h ASP 91 CO -0.24 -0.56 0.81 0.00 -3.12 0.00 0.00 179.24 176.13 2d8m h HIS 93 N 0.00 0.00 -0.92 0.00 -0.00 -0.99 0.18 115.15 113.42 2d8m h HIS 93 Ca 0.67 0.00 0.30 0.00 -0.00 0.00 0.00 60.37 61.34 2d8m h HIS 93 Cb 2.37 0.00 -0.17 0.00 -0.00 0.00 0.00 27.41 29.61 2d8m h HIS 93 CO -0.00 0.18 0.20 -2.13 -0.00 0.00 0.00 177.93 176.18 2d8m n ARG 94 N -4.64 -0.07 -0.05 5.26 3.00 0.14 0.19 116.66 120.50 2d8m n ARG 94 Ca -0.08 1.34 0.00 0.00 -0.00 0.00 0.00 57.85 59.11 2d8m n ARG 94 Cb 0.25 -2.23 -0.16 0.00 0.00 0.00 0.00 32.46 30.32 2d8m n ARG 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2d8m n MET 95 N -5.25 0.67 -2.64 -0.14 2.81 0.14 -5.00 117.12 107.70 2d8m n MET 95 Ca 0.27 -0.07 -0.10 0.00 -1.81 0.00 0.00 57.70 55.98 2d8m n MET 95 Cb 0.89 -1.55 0.02 0.00 -0.71 0.00 0.00 33.22 31.87 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 -2.54 -2.38 -4.31 0.03 1.74 0.13 -5.04 116.66 104.29 2d8m n ARG 96 Ca -0.18 0.42 -0.16 0.00 -0.77 0.00 0.00 57.85 57.15 2d8m n ARG 96 Cb 0.87 -4.24 -0.10 0.00 -1.02 0.00 0.00 32.46 27.96 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 -5.11 1.30 -0.17 5.56 1.70 -0.67 -4.82 118.95 116.75 2d8m s ARG 97 Ca 0.15 -1.65 -0.26 0.00 -0.47 0.00 0.00 55.73 53.49 2d8m s ARG 97 Cb -0.07 -0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 33.76 2d8m s ARG 97 CO 0.19 -0.11 0.89 0.50 -1.08 0.00 0.00 175.30 175.69 2d8m s ARG 98 N -3.88 4.31 0.13 3.89 3.52 -1.26 -4.40 118.95 121.26 2d8m s ARG 98 Ca 0.28 1.13 0.10 0.00 -0.13 0.00 0.00 55.73 57.11 2d8m s ARG 98 Cb 0.06 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 2d8m s ARG 98 CO 0.08 -0.38 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.44 2d8m s LEU 99 N 2.31 2.43 0.10 -0.88 1.43 -1.26 -5.10 118.68 117.71 2d8m s LEU 99 Ca 0.41 -0.70 -0.31 0.00 -1.03 0.00 0.00 54.13 52.49 2d8m s LEU 99 Cb -0.17 -1.30 -0.07 0.00 0.03 0.00 0.00 46.19 44.68 2d8m s LEU 99 CO 0.12 0.18 1.37 -2.16 0.23 0.00 0.00 176.35 176.09 2d8m s PRO 100 N -2.11 4.33 0.09 1.29 0.04 -1.26 -4.91 135.00 132.46 2d8m s PRO 100 Ca 0.15 2.03 0.26 0.00 0.04 0.00 0.00 61.00 63.49 2d8m s PRO 100 Cb -0.10 -3.29 0.80 0.00 0.04 0.00 0.00 34.50 31.94 2d8m s PRO 100 CO 0.07 -0.43 1.67 0.45 0.04 0.00 0.00 177.00 178.80 2d8m n SER 101 N 4.10 0.48 0.21 6.66 2.88 -1.26 -3.50 113.62 123.19 2d8m n SER 101 Ca 0.11 0.31 0.08 0.00 -1.33 0.00 0.00 58.87 58.04 2d8m n SER 101 Cb 0.43 -0.32 0.47 0.00 -0.75 0.00 0.00 64.21 64.03 2d8m n SER 101 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2d8m h GLN 102 N 0.00 0.00 0.00 -1.46 3.07 -1.98 -1.16 115.11 113.58 2d8m h GLN 102 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.68 2d8m h GLN 102 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.17 2d8m h GLN 102 CO 0.00 0.28 -0.33 0.00 0.09 0.00 0.00 178.83 178.88 2d8m h ARG 103 N 0.00 0.00 -0.01 0.06 3.08 -1.98 -3.19 114.38 112.34 2d8m h ARG 103 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2d8m h ARG 103 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2d8m h ARG 103 CO 0.04 0.26 -0.49 0.66 -1.07 0.00 0.00 179.97 179.37 2d8m n TYR 104 N -3.14 0.00 -1.56 3.04 4.01 -0.97 -4.98 117.16 113.56 2d8m n TYR 104 Ca 0.02 0.00 -0.52 0.00 -0.16 0.00 0.00 57.90 57.24 2d8m n TYR 104 Cb 0.64 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.60 2d8m n TYR 104 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2d8m n LEU 105 N -0.19 1.13 -0.04 7.72 4.77 -0.48 -3.13 117.00 126.78 2d8m n LEU 105 Ca 0.09 1.13 -0.03 0.00 -0.03 0.00 0.00 56.01 57.18 2d8m n LEU 105 Cb 0.45 -1.13 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 2d8m n LEU 105 CO 0.29 -1.39 -0.20 0.24 -1.33 0.00 0.00 177.39 175.00 2d8m h MET 106 N 3.73 0.00 -7.62 3.23 2.86 -1.75 -3.47 114.93 111.90 2d8m h MET 106 Ca -0.46 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 56.72 2d8m h MET 106 Cb 1.36 0.00 0.13 0.00 0.06 0.00 0.00 31.60 33.16 2d8m h MET 106 CO 0.72 0.00 0.35 0.00 1.06 0.00 0.00 176.91 179.04 2d8m s ALA 107 N -2.83 2.64 0.52 6.32 0.00 -1.26 -4.95 121.76 122.19 2d8m s ALA 107 Ca -0.09 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2d8m s ALA 107 Cb 0.01 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2d8m s ALA 107 CO 0.13 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.23 2d8m n GLY 108 N -3.47 -3.66 0.25 0.00 0.00 -1.26 -4.69 105.19 92.37 2d8m n GLY 108 Ca 0.14 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.39 0.80 0.00 1.61 0.13 -1.99 -3.50 132.00 128.67 2d8m h PRO 109 Ca -0.07 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2d8m h PRO 109 Cb 0.97 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2d8m h PRO 109 CO 0.03 1.06 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 2d8m n GLY 110 N 0.10 -0.49 2.90 1.56 0.00 -1.26 -5.02 105.19 102.97 2d8m n GLY 110 Ca -0.02 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 2d8m n GLY 110 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d8m n SER 111 N 0.00 5.04 -4.41 1.61 7.64 -1.26 -4.95 113.62 117.30 2d8m n SER 111 Ca 0.00 -3.32 -0.45 0.00 1.01 0.00 0.00 58.87 56.11 2d8m n SER 111 Cb 0.00 -1.06 -0.01 0.00 -1.01 0.00 0.00 64.21 62.14 2d8m n SER 111 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2d8m s SER 112 N -1.32 7.02 -1.18 6.43 0.15 -1.26 -4.44 113.70 119.11 2d8m s SER 112 Ca 0.33 -2.95 -0.08 0.00 0.70 0.00 0.00 55.95 53.95 2d8m s SER 112 Cb 0.03 -2.32 0.01 0.00 -1.71 0.00 0.00 66.02 62.03 2d8m s SER 112 CO -0.00 -0.66 1.02 -1.20 1.20 0.00 0.00 173.24 173.61 2d8m n SER 113 N 4.79 -5.81 -3.96 5.45 7.64 -1.26 -4.96 113.62 115.51 2d8m n SER 113 Ca 0.28 -0.46 -0.33 0.00 1.01 0.00 0.00 58.87 59.37 2d8m n SER 113 Cb 0.43 -4.42 -0.08 0.00 -1.01 0.00 0.00 64.21 59.13 2d8m n SER 113 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2d8m n GLU 114 N -4.40 2.49 -4.01 1.43 1.02 -1.26 -5.05 120.64 110.86 2d8m n GLU 114 Ca 0.01 -4.51 -0.35 0.00 -0.02 0.00 0.00 57.16 52.29 2d8m n GLU 114 Cb 0.55 -2.36 -0.11 0.00 -0.02 0.00 0.00 31.44 29.50 2d8m n GLU 114 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2d8m s GLU 115 N -1.62 3.88 0.61 3.49 -1.05 -1.26 -5.01 118.70 117.74 2d8m s GLU 115 Ca 0.29 -0.39 -0.19 0.00 -0.15 0.00 0.00 54.97 54.53 2d8m s GLU 115 Cb -0.03 -3.21 -0.03 0.00 -0.44 0.00 0.00 34.13 30.43 2d8m s GLU 115 CO -0.12 0.18 1.24 0.16 0.95 0.00 0.00 175.26 177.68 2d8m s ASP 116 N 0.61 4.96 -0.02 0.83 -4.77 -1.26 -4.96 116.67 112.07 2d8m s ASP 116 Ca 0.03 2.49 -0.25 0.00 -3.30 0.00 0.00 52.55 51.51 2d8m s ASP 116 Cb -0.13 -2.61 -0.20 0.00 -1.09 0.00 0.00 42.92 38.90 2d8m s ASP 116 CO 0.02 -1.76 1.26 -0.08 0.70 0.00 0.00 175.17 175.30 2d8m h GLU 117 N 0.76 -0.05 -0.84 2.11 4.81 -2.05 -3.45 114.58 115.87 2d8m h GLU 117 Ca -0.51 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.83 2d8m h GLU 117 Cb 1.31 0.01 -0.21 0.00 0.63 0.00 0.00 28.75 30.50 2d8m h GLU 117 CO 0.54 0.40 -0.22 0.00 -0.73 0.00 0.00 179.01 179.01 2d8m s ALA 118 N -4.34 -2.60 0.82 2.92 0.00 -1.26 -5.16 121.76 112.14 2d8m s ALA 118 Ca -0.15 1.55 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 2d8m s ALA 118 Cb 0.02 -2.36 0.09 0.00 0.00 0.00 0.00 23.12 20.87 2d8m s ALA 118 CO 0.65 -1.53 1.14 -1.12 0.00 0.00 0.00 175.76 174.90 2d8m s SER 119 N 2.87 3.80 0.11 0.00 0.01 -1.26 -5.02 113.70 114.22 2d8m s SER 119 Ca 0.15 2.11 -0.05 0.00 1.31 0.00 0.00 55.95 59.46 2d8m s SER 119 Cb -0.12 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 2d8m s SER 119 CO -0.21 -2.51 0.35 -1.00 0.41 0.00 0.00 173.24 170.28 2d8m s HIS 120 N -2.56 3.51 0.00 2.43 0.09 -1.26 -5.01 115.29 112.49 2d8m s HIS 120 Ca 0.67 0.57 0.00 0.00 -0.00 0.00 0.00 55.06 56.29 2d8m s HIS 120 Cb -0.22 -2.01 0.00 0.00 -0.00 0.00 0.00 32.58 30.35 2d8m s HIS 120 CO 0.53 0.48 0.00 0.43 -0.00 0.00 0.00 174.74 176.19 2d8m n SER 121 N 0.37 1.27 -0.93 1.40 7.64 -1.26 -5.14 113.62 116.97 2d8m n SER 121 Ca -0.05 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.87 2d8m n SER 121 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 2d8m n SER 121 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8m n GLY 122 N 3.12 -3.41 3.35 0.23 0.00 -1.26 -4.87 105.19 102.35 2d8m n GLY 122 Ca 0.00 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.99 1.83 0.38 -0.02 0.00 -1.26 -5.08 107.32 98.19 2d8m s GLY 123 Ca 0.00 -1.54 0.04 0.00 0.00 0.00 0.00 44.72 43.22 2d8m s GLY 123 CO 0.00 0.71 0.06 -0.45 0.00 0.00 0.00 173.10 173.42 2d8m s SER 124 N 1.51 2.99 0.05 1.64 0.15 -1.26 -5.02 113.70 113.76 2d8m s SER 124 Ca 0.02 -1.48 -0.27 0.00 0.70 0.00 0.00 55.95 54.92 2d8m s SER 124 Cb -0.18 0.06 0.09 0.00 -1.71 0.00 0.00 66.02 64.28 2d8m s SER 124 CO 0.04 -0.68 0.86 -0.83 1.20 0.00 0.00 173.24 173.83 2d8m s GLY 125 N -3.61 -0.43 0.22 9.45 0.00 -1.26 -5.00 107.32 106.69 2d8m s GLY 125 Ca 0.29 0.75 -0.01 0.00 0.00 0.00 0.00 44.72 45.76 2d8m s GLY 125 CO 0.14 0.24 1.58 -0.56 0.00 0.00 0.00 173.10 174.50 2d8m h PRO 126 N 2.00 0.54 0.04 2.90 0.13 -2.03 -3.33 132.00 132.25 2d8m h PRO 126 Ca -0.24 -0.29 -0.36 0.00 -0.87 0.00 0.00 66.00 64.24 2d8m h PRO 126 Cb 1.25 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2d8m h PRO 126 CO 0.30 0.87 -2.07 0.45 -0.23 0.00 0.00 178.00 177.33 2d8m n SER 127 N -4.01 2.00 -4.70 1.44 2.88 -1.26 -4.97 113.62 105.00 2d8m n SER 127 Ca -0.02 0.19 -0.29 0.00 -1.33 0.00 0.00 58.87 57.42 2d8m n SER 127 Cb 0.53 -0.76 0.17 0.00 -0.75 0.00 0.00 64.21 63.40 2d8m n SER 127 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d8m s SER 128 N -6.95 2.82 0.00 -3.46 0.01 -1.25 -5.27 113.70 99.60 2d8m s SER 128 Ca -0.30 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.13 2d8m s SER 128 Cb 0.09 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.49 2d8m s SER 128 CO 0.64 -3.00 0.00 0.61 0.41 0.00 0.00 173.24 171.89