#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 0.14 -0.08 1.61 1.04 -1.26 -5.15 113.70 110.00 2d8m s SER 2 Ca 0.00 0.11 -0.24 0.00 0.48 0.00 0.00 55.95 56.29 2d8m s SER 2 Cb 0.00 -0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.16 2d8m s SER 2 CO 0.00 -0.15 0.56 -0.55 0.98 0.00 0.00 173.24 174.09 2d8m s SER 3 N 1.22 -0.53 0.05 7.02 0.15 -1.26 -5.14 113.70 115.21 2d8m s SER 3 Ca -0.08 0.67 -0.30 0.00 0.70 0.00 0.00 55.95 56.94 2d8m s SER 3 Cb -0.13 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 2d8m s SER 3 CO -0.04 -0.47 1.13 -0.83 1.20 0.00 0.00 173.24 174.23 2d8m s GLY 4 N -0.87 2.56 -0.29 9.45 0.00 -1.26 -5.01 107.32 111.91 2d8m s GLY 4 Ca -0.09 0.76 -0.21 0.00 0.00 0.00 0.00 44.72 45.18 2d8m s GLY 4 CO 0.06 1.93 1.03 -0.45 0.00 0.00 0.00 173.10 175.67 2d8m s SER 5 N 1.02 -0.45 0.27 1.64 0.15 -1.26 -5.19 113.70 109.88 2d8m s SER 5 Ca 0.57 0.80 0.02 0.00 0.70 0.00 0.00 55.95 58.03 2d8m s SER 5 Cb -0.27 0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 2d8m s SER 5 CO 0.29 -0.13 0.12 -0.94 1.20 0.00 0.00 173.24 173.78 2d8m s SER 6 N 0.74 1.21 0.00 5.45 1.04 -1.26 -4.63 113.70 116.24 2d8m s SER 6 Ca -0.02 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 54.96 2d8m s SER 6 Cb -0.04 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2d8m s SER 6 CO -0.11 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2d8m n GLY 7 N -0.49 0.49 3.08 7.32 0.00 -1.26 -5.09 105.19 109.25 2d8m n GLY 7 Ca 0.01 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.12 0.70 0.76 1.61 2.02 -1.26 -5.10 118.70 117.30 2d8m s GLU 8 Ca 0.00 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.22 2d8m s GLU 8 Cb 0.00 -0.62 0.05 0.00 0.10 0.00 0.00 34.13 33.66 2d8m s GLU 8 CO 0.00 0.15 1.09 -1.25 0.02 0.00 0.00 175.26 175.27 2d8m s PRO 9 N -1.13 2.33 0.13 0.39 0.04 -1.26 -5.07 135.00 130.44 2d8m s PRO 9 Ca -0.02 1.21 0.10 0.00 0.04 0.00 0.00 61.00 62.32 2d8m s PRO 9 Cb -0.08 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2d8m s PRO 9 CO 0.01 -1.59 -0.25 1.03 0.04 0.00 0.00 177.00 176.24 2d8m s ARG 10 N -4.77 1.34 -0.11 4.56 3.00 -1.26 -5.14 118.95 116.56 2d8m s ARG 10 Ca 0.62 -1.32 -0.09 0.00 0.00 0.00 0.00 55.73 54.94 2d8m s ARG 10 Cb -0.18 -1.75 0.03 0.00 0.00 0.00 0.00 34.95 33.06 2d8m s ARG 10 CO 0.54 0.41 0.28 1.03 0.00 0.00 0.00 175.30 177.55 2d8m s ARG 11 N -2.10 0.30 -0.02 3.54 0.52 -1.26 -5.07 118.95 114.86 2d8m s ARG 11 Ca 0.13 0.45 -0.25 0.00 -0.52 0.00 0.00 55.73 55.53 2d8m s ARG 11 Cb -0.10 0.08 -0.20 0.00 0.52 0.00 0.00 34.95 35.26 2d8m s ARG 11 CO 0.06 -0.08 1.23 -1.00 0.02 0.00 0.00 175.30 175.54 2d8m h PRO 12 N 6.15 -0.05 -6.11 3.54 0.13 -2.06 -3.46 132.00 130.14 2d8m h PRO 12 Ca -0.30 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.19 2d8m h PRO 12 Cb 1.18 0.01 0.13 0.00 0.13 0.00 0.00 31.00 32.45 2d8m h PRO 12 CO 0.34 0.41 -0.53 -2.13 -0.23 0.00 0.00 178.00 175.86 2d8m n ARG 13 N -4.89 0.26 -2.71 0.86 3.00 -1.26 -4.85 116.66 107.08 2d8m n ARG 13 Ca -0.08 0.09 -0.43 0.00 -0.00 0.00 0.00 57.85 57.43 2d8m n ARG 13 Cb 0.25 -1.19 -0.03 0.00 0.00 0.00 0.00 32.46 31.50 2d8m n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2d8m s ALA 14 N -1.25 3.46 0.00 5.13 0.00 -1.26 -4.91 121.76 122.93 2d8m s ALA 14 Ca 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2d8m s ALA 14 Cb -0.78 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2d8m s ALA 14 CO 0.58 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 175.22 2d8m n GLY 15 N 4.08 5.58 0.00 0.00 0.00 -1.26 -5.00 105.19 108.59 2d8m n GLY 15 Ca 0.10 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.05 1.61 -0.04 -1.26 -2.78 135.00 132.97 2d8m n PRO 16 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2d8m n PRO 16 Cb 0.00 -1.41 -0.13 0.00 -0.04 0.00 0.00 33.50 31.92 2d8m n PRO 16 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2d8m n GLU 17 N -0.91 0.68 -0.08 0.54 2.13 -1.26 -2.80 120.64 118.94 2d8m n GLU 17 Ca 0.10 0.35 -0.07 0.00 0.66 0.00 0.00 57.16 58.20 2d8m n GLU 17 Cb 0.04 -1.69 -0.00 0.00 0.27 0.00 0.00 31.44 30.06 2d8m n GLU 17 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2d8m h GLU 18 N -0.34 0.12 -0.12 5.31 4.57 -1.87 -1.02 114.58 121.23 2d8m h GLU 18 Ca -0.43 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 57.60 2d8m h GLU 18 Cb 1.77 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 30.34 2d8m h GLU 18 CO -0.06 0.08 -0.48 -0.07 -1.18 0.00 0.00 179.01 177.30 2d8m h LEU 19 N 0.12 0.62 -2.01 1.64 -0.00 -1.76 -3.07 115.31 110.85 2d8m h LEU 19 Ca 0.14 -0.63 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 2d8m h LEU 19 Cb 0.17 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2d8m h LEU 19 CO -0.21 1.14 0.04 1.23 -0.00 0.00 0.00 178.44 180.65 2d8m h GLY 20 N 0.14 0.00 0.47 0.83 0.00 -0.30 0.26 103.07 104.46 2d8m h GLY 20 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2d8m h GLY 20 CO 0.10 0.00 -0.13 0.28 0.00 0.00 0.00 176.54 176.79 2d8m n LYS 21 N -2.59 0.93 -0.07 4.80 4.76 -0.41 -2.91 118.16 122.66 2d8m n LYS 21 Ca -0.02 -0.42 -0.09 0.00 -2.87 0.00 0.00 58.31 54.91 2d8m n LYS 21 Cb 0.09 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.75 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 1.03 0.35 -0.89 -0.18 2.04 -0.50 -3.39 117.51 115.97 2d8m h ILE 22 Ca 0.00 -1.38 -0.60 0.00 1.00 0.00 0.00 64.86 63.88 2d8m h ILE 22 Cb 0.40 0.78 -0.31 0.00 -0.74 0.00 0.00 36.82 36.95 2d8m h ILE 22 CO 0.00 0.12 0.40 0.18 0.00 0.00 0.00 178.15 178.84 2d8m n LEU 23 N -4.60 6.72 -4.62 1.44 4.77 0.14 -4.76 117.00 116.08 2d8m n LEU 23 Ca -0.12 -4.29 -0.43 0.00 -0.03 0.00 0.00 56.01 51.14 2d8m n LEU 23 Cb 0.33 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 2d8m n LEU 23 CO 0.12 1.56 1.69 -1.58 -1.33 0.00 0.00 177.39 177.85 2d8m s GLN 24 N -3.68 3.50 0.00 3.23 2.00 -1.15 -1.81 119.66 121.75 2d8m s GLN 24 Ca 0.59 2.08 0.00 0.00 -2.00 0.00 0.00 55.36 56.03 2d8m s GLN 24 Cb 0.48 -4.26 0.00 0.00 0.80 0.00 0.00 33.01 30.03 2d8m s GLN 24 CO 0.01 -1.67 0.00 0.41 -0.50 0.00 0.00 175.29 173.54 2d8m n GLY 25 N 5.26 1.17 3.41 2.59 0.00 -1.26 -5.09 105.19 111.27 2d8m n GLY 25 Ca 0.25 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 2.30 -0.06 1.61 1.01 -0.75 -5.06 120.40 117.45 2d8m s VAL 26 Ca 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 61.98 60.04 2d8m s VAL 26 Cb 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2d8m s VAL 26 CO 0.00 -0.07 -0.07 -0.69 0.00 0.00 0.00 175.10 174.28 2d8m s VAL 27 N -1.51 0.75 0.18 2.92 1.01 -1.26 -1.10 120.40 121.38 2d8m s VAL 27 Ca 0.19 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 62.05 2d8m s VAL 27 Cb -0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2d8m s VAL 27 CO 0.09 0.28 -0.19 0.68 0.00 0.00 0.00 175.10 175.96 2d8m s VAL 28 N 1.02 2.68 -0.08 2.92 -7.23 0.09 -1.76 120.40 118.03 2d8m s VAL 28 Ca -0.09 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2d8m s VAL 28 Cb -0.14 -2.30 0.01 0.00 0.56 0.00 0.00 36.38 34.51 2d8m s VAL 28 CO -0.00 -0.10 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.84 2d8m s VAL 29 N -1.64 1.45 -0.07 1.32 1.01 -1.18 -2.35 120.40 118.95 2d8m s VAL 29 Ca 0.22 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 2d8m s VAL 29 Cb -0.08 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2d8m s VAL 29 CO 0.12 0.43 0.81 -0.76 0.00 0.00 0.00 175.10 175.70 2d8m s LEU 30 N 0.56 4.30 -0.13 3.92 1.43 -1.25 -0.94 118.68 126.58 2d8m s LEU 30 Ca -0.16 1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 54.21 2d8m s LEU 30 Cb -0.17 -3.27 0.06 0.00 0.03 0.00 0.00 46.19 42.85 2d8m s LEU 30 CO 0.05 -0.22 0.29 -0.94 0.23 0.00 0.00 176.35 175.76 2d8m s SER 31 N 0.94 -0.15 -0.43 2.29 1.04 -1.07 -4.84 113.70 111.47 2d8m s SER 31 Ca 0.42 0.64 -0.02 0.00 0.48 0.00 0.00 55.95 57.47 2d8m s SER 31 Cb -0.18 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2d8m s SER 31 CO 0.20 -0.19 0.38 0.61 0.98 0.00 0.00 173.24 175.21 2d8m n GLY 32 N 4.59 0.38 3.24 7.32 0.00 -1.26 -2.93 105.19 116.53 2d8m n GLY 32 Ca -0.19 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.11 1.47 0.01 1.61 0.08 -1.26 -4.51 117.98 112.27 2d8m s PHE 33 Ca 0.14 -0.50 0.00 0.00 0.12 0.00 0.00 56.93 56.69 2d8m s PHE 33 Cb -0.06 -0.78 -0.01 0.00 -0.57 0.00 0.00 43.02 41.60 2d8m s PHE 33 CO 0.24 0.15 -0.01 1.14 -0.10 0.00 0.00 175.22 176.64 2d8m s GLN 34 N -2.30 0.11 0.84 0.44 -2.07 -1.26 -4.86 119.66 110.56 2d8m s GLN 34 Ca 0.06 -0.18 -0.10 0.00 -1.82 0.00 0.00 55.36 53.32 2d8m s GLN 34 Cb -0.07 0.01 0.10 0.00 -1.09 0.00 0.00 33.01 31.96 2d8m s GLN 34 CO 0.03 -0.01 1.11 0.54 -1.32 0.00 0.00 175.29 175.65 2d8m s ASN 35 N -0.42 3.77 0.26 12.60 2.20 -1.26 -0.57 114.94 131.52 2d8m s ASN 35 Ca -0.04 1.94 0.04 0.00 -0.94 0.00 0.00 52.86 53.85 2d8m s ASN 35 Cb -0.03 -2.51 0.34 0.00 -2.00 0.00 0.00 41.25 37.05 2d8m s ASN 35 CO -0.00 -2.52 1.64 1.55 -2.94 0.00 0.00 177.10 174.82 2d8m h PRO 36 N -1.47 0.33 -0.77 3.55 0.13 -2.02 -3.43 132.00 128.32 2d8m h PRO 36 Ca -0.44 -0.17 0.12 0.00 -0.87 0.00 0.00 66.00 64.64 2d8m h PRO 36 Cb 1.25 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 2d8m h PRO 36 CO 0.48 0.72 -0.29 0.34 -0.23 0.00 0.00 178.00 179.02 2d8m n PHE 37 N -3.99 0.05 -0.30 1.56 7.35 -1.17 0.70 117.46 121.66 2d8m n PHE 37 Ca -0.02 0.95 0.05 0.00 -0.76 0.00 0.00 57.45 57.67 2d8m n PHE 37 Cb 0.52 -0.81 0.11 0.00 0.35 0.00 0.00 39.48 39.66 2d8m n PHE 37 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2d8m n ARG 38 N -5.15 -0.08 0.01 -4.13 0.63 0.27 0.16 116.66 108.38 2d8m n ARG 38 Ca 0.08 1.31 -0.12 0.00 -0.92 0.00 0.00 57.85 58.20 2d8m n ARG 38 Cb 0.32 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.28 2d8m n ARG 38 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2d8m h SER 39 N 0.00 0.67 -0.15 6.15 0.02 -0.02 -2.97 113.55 117.25 2d8m h SER 39 Ca 0.40 -0.42 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2d8m h SER 39 Cb 0.61 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 2d8m h SER 39 CO -0.86 1.17 -0.15 -0.08 -1.14 0.00 0.00 176.83 175.77 2d8m h GLU 40 N 0.40 -0.17 0.91 3.45 4.81 0.23 -1.60 114.58 122.62 2d8m h GLU 40 Ca -0.03 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2d8m h GLU 40 Cb 1.29 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.72 2d8m h GLU 40 CO 0.13 -0.11 -0.44 1.25 -0.73 0.00 0.00 179.01 179.11 2d8m h LEU 41 N -0.18 -1.03 -0.99 1.64 6.46 -1.03 -2.67 115.31 117.52 2d8m h LEU 41 Ca 0.10 0.04 0.10 0.00 -0.12 0.00 0.00 57.88 57.99 2d8m h LEU 41 Cb 0.32 0.27 -0.12 0.00 -0.73 0.00 0.00 40.66 40.39 2d8m h LEU 41 CO -0.25 -0.72 -0.55 -1.14 -0.62 0.00 0.00 178.44 175.15 2d8m n ARG 42 N -5.36 -0.41 -0.22 1.25 0.63 -1.12 -0.03 116.66 111.41 2d8m n ARG 42 Ca -0.15 1.50 -0.00 0.00 -0.92 0.00 0.00 57.85 58.27 2d8m n ARG 42 Cb 0.48 -2.21 0.07 0.00 0.45 0.00 0.00 32.46 31.25 2d8m n ARG 42 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2d8m h ASP 43 N 0.00 -0.58 -0.21 6.15 3.58 -1.28 0.15 116.42 124.23 2d8m h ASP 43 Ca 0.19 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2d8m h ASP 43 Cb 0.43 0.39 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 2d8m h ASP 43 CO -0.94 -0.21 0.14 0.11 -2.88 0.00 0.00 179.24 175.46 2d8m h LYS 44 N 0.00 0.27 -0.86 0.28 1.57 -0.08 -2.22 116.57 115.54 2d8m h LYS 44 Ca 0.31 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.13 2d8m h LYS 44 Cb 0.47 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 2d8m h LYS 44 CO -0.66 0.19 0.56 0.00 -0.57 0.00 0.00 179.45 178.97 2d8m h ALA 45 N 1.07 1.54 -0.40 3.86 0.00 0.98 -2.18 119.26 124.13 2d8m h ALA 45 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2d8m h ALA 45 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2d8m h ALA 45 CO -0.02 0.33 0.17 -0.07 0.00 0.00 0.00 179.25 179.67 2d8m h LEU 46 N 0.98 0.53 -0.41 0.00 3.38 -0.29 -2.90 115.31 116.60 2d8m h LEU 46 Ca 0.37 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2d8m h LEU 46 Cb 0.18 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 2d8m h LEU 46 CO -0.13 0.54 -0.32 -0.33 0.09 0.00 0.00 178.44 178.29 2d8m h GLU 47 N 0.50 -0.23 0.00 1.13 5.08 -0.81 0.62 114.58 120.87 2d8m h GLU 47 Ca 0.13 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2d8m h GLU 47 Cb 0.16 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2d8m h GLU 47 CO -0.01 -0.15 0.43 -0.07 -1.00 0.00 0.00 179.01 178.20 2d8m h LEU 48 N -0.24 0.00 0.00 1.33 3.38 -1.45 0.22 115.31 118.55 2d8m h LEU 48 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2d8m h LEU 48 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2d8m h LEU 48 CO -0.54 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.60 2d8m n GLY 49 N -1.27 1.08 3.88 0.83 0.00 0.21 0.23 105.19 110.15 2d8m n GLY 49 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 3.84 0.14 4.61 0.00 -1.11 -4.10 121.76 123.14 2d8m s ALA 50 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.17 2d8m s ALA 50 Cb 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 23.12 20.96 2d8m s ALA 50 CO 0.00 0.64 0.73 0.15 0.00 0.00 0.00 175.76 177.28 2d8m s LYS 51 N -1.75 4.49 -0.30 0.00 1.02 -0.26 -4.10 119.74 118.85 2d8m s LYS 51 Ca 0.28 1.07 -0.11 0.00 0.02 0.00 0.00 55.97 57.23 2d8m s LYS 51 Cb -0.13 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2d8m s LYS 51 CO 0.16 0.57 0.19 -0.47 -0.92 0.00 0.00 175.35 174.88 2d8m s TYR 52 N -1.08 3.20 -0.01 3.18 5.04 -1.26 -0.73 117.35 125.68 2d8m s TYR 52 Ca 0.34 -0.11 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 2d8m s TYR 52 Cb -0.22 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.66 2d8m s TYR 52 CO 0.25 -0.27 -0.01 1.03 -1.34 0.00 0.00 175.55 175.21 2d8m s ARG 53 N 1.72 2.79 0.08 4.97 1.81 -0.99 -5.00 118.95 124.33 2d8m s ARG 53 Ca 0.06 -0.59 0.17 0.00 -1.72 0.00 0.00 55.73 53.65 2d8m s ARG 53 Cb -0.16 -2.66 0.73 0.00 -0.45 0.00 0.00 34.95 32.40 2d8m s ARG 53 CO 0.09 0.63 1.54 -0.35 -0.68 0.00 0.00 175.30 176.53 2d8m n PRO 54 N 1.54 0.06 -3.78 3.54 -0.04 -1.26 -3.88 135.00 131.18 2d8m n PRO 54 Ca -0.15 0.31 -0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2d8m n PRO 54 Cb 0.53 -1.62 -0.00 0.00 -0.04 0.00 0.00 33.50 32.37 2d8m n PRO 54 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2d8m s ASP 55 N -3.39 -0.11 -0.23 3.54 -4.77 -1.26 -4.92 116.67 105.52 2d8m s ASP 55 Ca 0.06 -0.46 -0.29 0.00 -3.30 0.00 0.00 52.55 48.57 2d8m s ASP 55 Cb 0.09 0.45 -0.03 0.00 -1.09 0.00 0.00 42.92 42.35 2d8m s ASP 55 CO 0.30 -0.86 1.78 0.86 0.70 0.00 0.00 175.17 177.95 2d8m s TRP 56 N -2.86 1.81 0.41 2.11 -0.11 -1.26 -4.94 118.94 114.10 2d8m s TRP 56 Ca 0.15 0.48 0.07 0.00 1.22 0.00 0.00 56.10 58.03 2d8m s TRP 56 Cb -0.01 -4.05 -0.07 0.00 -1.50 0.00 0.00 33.47 27.84 2d8m s TRP 56 CO 0.03 -3.32 0.08 -0.08 -4.62 0.00 0.00 176.95 169.04 2d8m s THR 57 N 6.09 2.15 -0.16 5.86 -1.32 -1.26 -5.01 115.64 121.99 2d8m s THR 57 Ca 0.79 -1.88 0.28 0.00 -1.21 0.00 0.00 61.69 59.67 2d8m s THR 57 Cb -0.27 -2.99 0.29 0.00 -1.51 0.00 0.00 72.50 68.03 2d8m s THR 57 CO 0.33 -0.01 1.84 0.03 -2.21 0.00 0.00 174.62 174.59 2d8m h ARG 58 N 1.64 0.00 -0.01 7.08 2.47 -2.06 -0.91 114.38 122.58 2d8m h ARG 58 Ca -0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 2d8m h ARG 58 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2d8m h ARG 58 CO 0.76 0.00 -0.20 -0.40 0.56 0.00 0.00 179.97 180.69 2d8m n ASP 59 N -2.52 1.47 -4.70 7.04 5.68 -1.26 -4.88 116.55 117.37 2d8m n ASP 59 Ca 0.00 -1.24 -0.41 0.00 -0.50 0.00 0.00 54.79 52.64 2d8m n ASP 59 Cb 0.18 0.14 -0.04 0.00 -1.14 0.00 0.00 41.12 40.26 2d8m n ASP 59 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2d8m s SER 60 N -2.32 7.13 -0.18 -1.12 0.01 -0.35 -4.65 113.70 112.22 2d8m s SER 60 Ca 0.27 1.37 0.08 0.00 1.31 0.00 0.00 55.95 58.98 2d8m s SER 60 Cb 0.20 -2.48 -0.17 0.00 0.21 0.00 0.00 66.02 63.78 2d8m s SER 60 CO 0.46 -0.25 -0.05 0.35 0.41 0.00 0.00 173.24 174.16 2d8m n THR 61 N 4.09 1.12 -4.21 1.44 -2.24 -1.18 -4.89 114.28 108.42 2d8m n THR 61 Ca 0.03 -0.57 -0.18 0.00 -2.27 0.00 0.00 64.05 61.07 2d8m n THR 61 Cb 0.50 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.39 1.29 -0.04 4.78 3.76 -0.73 -3.14 115.29 118.82 2d8m s HIS 62 Ca -0.17 -0.53 0.07 0.00 -0.15 0.00 0.00 55.06 54.28 2d8m s HIS 62 Cb 0.06 -0.70 -0.01 0.00 1.11 0.00 0.00 32.58 33.03 2d8m s HIS 62 CO 0.57 0.09 -0.24 -1.17 -0.85 0.00 0.00 174.74 173.14 2d8m s LEU 63 N -2.15 2.04 -0.61 0.89 2.96 -0.82 -3.10 118.68 117.90 2d8m s LEU 63 Ca 0.04 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.37 2d8m s LEU 63 Cb -0.07 -1.29 0.16 0.00 0.50 0.00 0.00 46.19 45.49 2d8m s LEU 63 CO 0.02 0.26 0.51 -0.63 -1.32 0.00 0.00 176.35 175.20 2d8m s ILE 64 N -0.33 4.73 -0.18 6.68 -1.09 -0.11 -2.37 121.20 128.52 2d8m s ILE 64 Ca 0.02 -2.10 -0.09 0.00 -2.23 0.00 0.00 60.65 56.25 2d8m s ILE 64 Cb -0.12 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 2d8m s ILE 64 CO 0.01 -0.88 0.12 0.00 -1.23 0.00 0.00 174.94 172.96 2d8m h ALA 66 N 6.39 1.13 -2.32 0.00 0.00 -1.76 -2.98 119.26 119.71 2d8m h ALA 66 Ca -0.43 -0.37 0.11 0.00 0.00 0.00 0.00 54.91 54.22 2d8m h ALA 66 Cb 1.16 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 2d8m h ALA 66 CO 0.72 0.56 0.48 -0.59 0.00 0.00 0.00 179.25 180.42 2d8m s PHE 67 N -4.32 -0.34 1.03 0.00 -0.12 -1.26 -4.79 117.98 108.18 2d8m s PHE 67 Ca -0.06 0.19 -0.17 0.00 -0.05 0.00 0.00 56.93 56.85 2d8m s PHE 67 Cb 0.14 0.55 0.25 0.00 -0.63 0.00 0.00 43.02 43.32 2d8m s PHE 67 CO 0.78 -0.58 0.99 0.00 -0.05 0.00 0.00 175.22 176.35 2d8m n ALA 68 N -0.27 -2.68 -3.36 1.99 0.00 -1.26 -4.36 120.51 110.57 2d8m n ALA 68 Ca -0.09 -1.43 -0.19 0.00 0.00 0.00 0.00 53.44 51.73 2d8m n ALA 68 Cb 0.62 -0.09 0.07 0.00 0.00 0.00 0.00 19.45 20.04 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 -4.46 -4.85 -4.42 0.00 3.02 -1.26 -5.02 115.26 98.27 2d8m n ASN 69 Ca 0.13 -0.46 -0.23 0.00 -0.03 0.00 0.00 54.58 53.99 2d8m n ASN 69 Cb 0.51 -4.28 -0.10 0.00 -0.61 0.00 0.00 39.78 35.30 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 -3.27 2.22 0.05 3.41 -4.23 -1.26 -5.03 115.64 107.53 2d8m s THR 70 Ca 0.38 -2.26 0.33 0.00 -1.18 0.00 0.00 61.69 58.95 2d8m s THR 70 Cb -0.17 -2.17 0.38 0.00 1.34 0.00 0.00 72.50 71.88 2d8m s THR 70 CO 0.60 -0.40 1.96 1.55 -0.54 0.00 0.00 174.62 177.80 2d8m h PRO 71 N 2.56 0.00 0.00 3.99 0.13 -1.96 -2.71 132.00 134.02 2d8m h PRO 71 Ca -0.41 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 2d8m h PRO 71 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2d8m h PRO 71 CO 0.58 0.00 -1.60 1.63 -0.23 0.00 0.00 178.00 178.38 2d8m n LYS 72 N -2.98 0.64 0.02 0.86 4.76 -1.26 -3.36 118.16 116.84 2d8m n LYS 72 Ca 0.01 -0.02 -0.19 0.00 -2.87 0.00 0.00 58.31 55.24 2d8m n LYS 72 Cb 0.29 -1.66 -0.11 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 0.00 0.76 0.00 2.13 3.20 -1.85 -2.75 116.97 118.46 2d8m h TYR 73 Ca -0.06 -0.42 -0.04 0.00 3.14 0.00 0.00 58.73 61.35 2d8m h TYR 73 Cb 1.15 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2d8m h TYR 73 CO 0.00 1.25 -0.21 1.03 -1.64 0.00 0.00 178.16 178.59 2d8m h SER 74 N 0.05 0.00 -0.01 -2.11 0.87 -1.69 -2.38 113.55 108.29 2d8m h SER 74 Ca -0.10 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2d8m h SER 74 Cb 1.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2d8m h SER 74 CO 0.15 0.21 -0.07 -0.61 -0.53 0.00 0.00 176.83 175.98 2d8m h GLN 75 N 0.00 0.07 0.00 2.24 5.75 -1.59 -3.09 115.11 118.49 2d8m h GLN 75 Ca -0.00 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2d8m h GLN 75 Cb 1.11 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.68 2d8m h GLN 75 CO 0.03 0.72 0.00 0.28 -2.65 0.00 0.00 178.83 177.21 2d8m n VAL 76 N -4.70 0.64 0.08 2.39 0.31 -1.04 -3.25 118.33 112.76 2d8m n VAL 76 Ca -0.09 -0.21 -0.08 0.00 -0.01 0.00 0.00 64.34 63.96 2d8m n VAL 76 Cb 0.37 -0.68 0.05 0.00 -0.91 0.00 0.00 33.84 32.66 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 0.32 0.00 7.52 5.85 -1.43 -2.90 115.31 124.67 2d8m h LEU 77 Ca 0.00 -0.22 -0.20 0.00 0.84 0.00 0.00 57.88 58.30 2d8m h LEU 77 Cb 0.68 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2d8m h LEU 77 CO 0.00 0.95 -1.02 1.23 -0.34 0.00 0.00 178.44 179.26 2d8m h GLY 78 N 1.56 0.00 0.81 3.75 0.00 -1.51 -3.33 103.07 104.34 2d8m h GLY 78 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2d8m h GLY 78 CO 0.12 0.00 0.01 1.41 0.00 0.00 0.00 176.54 178.08 2d8m h LEU 79 N 0.00 0.28 0.00 3.11 3.38 -1.56 -3.47 115.31 117.04 2d8m h LEU 79 Ca -0.04 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2d8m h LEU 79 Cb 1.74 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2d8m h LEU 79 CO 0.11 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.75 2d8m n GLY 80 N -0.36 1.64 3.92 0.83 0.00 -1.15 -5.14 105.19 104.93 2d8m n GLY 80 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.76 1.64 -0.68 -0.02 0.00 -1.10 -5.01 107.32 100.40 2d8m s GLY 81 Ca 0.00 -0.78 -0.22 0.00 0.00 0.00 0.00 44.72 43.71 2d8m s GLY 81 CO 0.00 -0.34 0.97 -1.60 0.00 0.00 0.00 173.10 172.12 2d8m s ARG 82 N -5.39 3.14 -0.25 2.90 6.06 -1.19 -4.84 118.95 119.39 2d8m s ARG 82 Ca 0.61 -0.93 -0.22 0.00 -2.50 0.00 0.00 55.73 52.69 2d8m s ARG 82 Cb -0.11 -4.29 -0.01 0.00 0.06 0.00 0.00 34.95 30.60 2d8m s ARG 82 CO 0.47 -1.80 0.72 0.42 -2.50 0.00 0.00 175.30 172.60 2d8m s ILE 83 N 3.91 4.92 0.04 4.11 1.01 -1.26 -1.95 121.20 131.97 2d8m s ILE 83 Ca 0.22 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.23 2d8m s ILE 83 Cb -0.16 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2d8m s ILE 83 CO 0.08 -0.02 -0.07 0.68 0.00 0.00 0.00 174.94 175.61 2d8m s VAL 84 N 2.65 0.51 1.01 2.92 -7.23 -1.00 -1.32 120.40 117.94 2d8m s VAL 84 Ca 0.30 -1.05 -0.17 0.00 -1.81 0.00 0.00 61.98 59.26 2d8m s VAL 84 Cb -0.15 -0.58 0.26 0.00 0.56 0.00 0.00 36.38 36.47 2d8m s VAL 84 CO 0.08 -0.38 0.58 0.54 -0.31 0.00 0.00 175.10 175.62 2d8m n ARG 85 N 1.51 -3.82 0.00 4.82 1.74 -1.17 -2.64 116.66 117.09 2d8m n ARG 85 Ca -0.23 -0.98 0.12 0.00 -0.77 0.00 0.00 57.85 56.00 2d8m n ARG 85 Cb 0.55 -1.31 0.31 0.00 -1.02 0.00 0.00 32.46 30.99 2d8m n ARG 85 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2d8m n LYS 86 N -4.42 0.15 -0.12 5.56 2.85 -1.13 -4.00 118.16 117.05 2d8m n LYS 86 Ca 0.09 -0.08 -0.12 0.00 -1.05 0.00 0.00 58.31 57.15 2d8m n LYS 86 Cb 0.40 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.26 2d8m n LYS 86 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2d8m h GLU 87 N 0.20 0.72 0.00 -1.58 4.39 -1.91 -3.26 114.58 113.15 2d8m h GLU 87 Ca 0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 2d8m h GLU 87 Cb 0.50 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2d8m h GLU 87 CO 0.00 0.92 0.00 1.87 -1.16 0.00 0.00 179.01 180.64 2d8m n TRP 88 N -4.33 0.00 -0.02 4.33 -0.00 -1.26 -0.56 117.44 115.60 2d8m n TRP 88 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.42 2d8m n TRP 88 Cb 0.39 -0.36 -0.04 0.00 -0.00 0.00 0.00 31.31 31.31 2d8m n TRP 88 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.69 177.45 2d8m h VAL 89 N 0.00 0.00 -0.75 5.87 3.04 -1.84 -1.09 116.25 121.48 2d8m h VAL 89 Ca 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.76 2d8m h VAL 89 Cb 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 29.19 2d8m h VAL 89 CO 0.00 0.00 -0.43 0.18 -1.01 0.00 0.00 177.57 176.31 2d8m n LEU 90 N -3.79 -0.77 -0.27 3.16 4.77 -0.79 0.17 117.00 119.47 2d8m n LEU 90 Ca -0.02 1.34 0.05 0.00 -0.03 0.00 0.00 56.01 57.35 2d8m n LEU 90 Cb 0.15 -0.19 0.19 0.00 -2.33 0.00 0.00 43.42 41.24 2d8m n LEU 90 CO 0.02 -1.10 1.08 -0.78 -1.33 0.00 0.00 177.39 175.27 2d8m h ASP 91 N 0.00 0.47 -0.75 -1.43 3.58 -0.33 0.28 116.42 118.23 2d8m h ASP 91 Ca 0.14 0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.70 2d8m h ASP 91 Cb 0.32 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.34 2d8m h ASP 91 CO -0.71 0.22 0.48 0.00 -2.88 0.00 0.00 179.24 176.34 2d8m h HIS 93 N 0.93 0.90 0.24 0.00 -0.00 0.43 0.81 115.15 118.46 2d8m h HIS 93 Ca 0.30 -0.33 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 2d8m h HIS 93 Cb 0.02 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.26 2d8m h HIS 93 CO -0.04 1.11 -0.14 -0.09 -0.00 0.00 0.00 177.93 178.78 2d8m h ARG 94 N 0.54 -0.35 -0.01 5.26 9.65 0.23 -2.67 114.38 127.03 2d8m h ARG 94 Ca 0.01 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2d8m h ARG 94 Cb 1.15 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2d8m h ARG 94 CO 0.12 -0.23 -0.20 -1.33 2.80 0.00 0.00 179.97 181.12 2d8m n MET 95 N -5.26 0.98 -4.13 0.20 2.81 0.16 -4.94 117.12 106.94 2d8m n MET 95 Ca -0.09 -0.56 -0.32 0.00 -1.81 0.00 0.00 57.70 54.92 2d8m n MET 95 Cb 0.17 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 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 -0.52 -3.04 -3.84 0.03 1.74 0.28 -4.94 116.66 106.37 2d8m n ARG 96 Ca 0.14 0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 57.48 2d8m n ARG 96 Cb 0.34 -4.77 -0.08 0.00 -1.02 0.00 0.00 32.46 26.94 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 -6.83 0.76 -0.26 5.56 1.70 -0.81 -4.94 118.95 114.12 2d8m s ARG 97 Ca 0.41 -0.72 -0.29 0.00 -0.47 0.00 0.00 55.73 54.66 2d8m s ARG 97 Cb -0.22 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.45 2d8m s ARG 97 CO 0.92 -0.23 1.66 0.50 -1.08 0.00 0.00 175.30 177.07 2d8m s ARG 98 N -2.98 3.65 0.08 3.89 3.52 -1.26 -4.58 118.95 121.27 2d8m s ARG 98 Ca -0.02 1.55 0.03 0.00 -0.13 0.00 0.00 55.73 57.16 2d8m s ARG 98 Cb 0.01 -4.08 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 2d8m s ARG 98 CO -0.06 -1.47 0.09 -0.51 -0.81 0.00 0.00 175.30 172.54 2d8m s LEU 99 N 5.69 3.85 -0.07 -0.88 1.43 -1.26 -5.07 118.68 122.36 2d8m s LEU 99 Ca 0.73 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.54 2d8m s LEU 99 Cb -0.23 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 2d8m s LEU 99 CO 0.31 0.17 1.50 -2.16 0.23 0.00 0.00 176.35 176.40 2d8m s PRO 100 N -2.43 4.21 0.10 1.29 0.04 -1.26 -4.89 135.00 132.06 2d8m s PRO 100 Ca 0.30 2.01 0.28 0.00 0.04 0.00 0.00 61.00 63.62 2d8m s PRO 100 Cb -0.12 -3.84 1.03 0.00 0.04 0.00 0.00 34.50 31.61 2d8m s PRO 100 CO 0.23 -0.76 1.85 -1.13 0.04 0.00 0.00 177.00 177.23 2d8m n SER 101 N 6.64 0.38 0.24 6.66 3.41 -1.26 -3.38 113.62 126.31 2d8m n SER 101 Ca 0.16 0.52 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 2d8m n SER 101 Cb 0.43 -0.62 0.59 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.00 0.00 4.33 4.20 -1.99 -1.18 115.11 120.47 2d8m h GLN 102 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2d8m h GLN 102 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2d8m h GLN 102 CO 0.00 0.15 -0.20 0.00 -0.67 0.00 0.00 178.83 178.11 2d8m h ARG 103 N 0.00 0.00 -0.27 1.46 3.08 -1.98 -3.18 114.38 113.49 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 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2d8m h ARG 103 CO 0.02 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.58 2d8m n TYR 104 N -2.72 0.34 -1.61 3.04 4.01 -0.52 -4.98 117.16 114.71 2d8m n TYR 104 Ca 0.04 -0.17 -0.50 0.00 -0.16 0.00 0.00 57.90 57.11 2d8m n TYR 104 Cb 0.50 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 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 1.45 2.04 -0.08 7.72 4.77 -0.77 -3.06 117.00 129.08 2d8m n LEU 105 Ca 0.18 1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 57.18 2d8m n LEU 105 Cb 0.61 -1.26 -0.05 0.00 -2.33 0.00 0.00 43.42 40.38 2d8m n LEU 105 CO 0.16 -0.88 -0.27 0.24 -1.33 0.00 0.00 177.39 175.30 2d8m h MET 106 N 4.63 0.00 -5.93 3.23 2.86 -1.55 -3.47 114.93 114.70 2d8m h MET 106 Ca -0.46 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.59 2d8m h MET 106 Cb 1.31 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.93 2d8m h MET 106 CO 0.79 0.39 -0.28 0.00 1.06 0.00 0.00 176.91 178.86 2d8m s ALA 107 N -2.55 4.52 0.18 6.32 0.00 -1.26 -5.06 121.76 123.92 2d8m s ALA 107 Ca -0.17 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2d8m s ALA 107 Cb 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2d8m s ALA 107 CO 0.34 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2d8m n GLY 108 N -1.82 -3.41 0.11 0.00 0.00 -1.26 -4.84 105.19 93.96 2d8m n GLY 108 Ca -0.02 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 0.36 0.23 -1.22 1.61 0.13 -2.01 -3.48 132.00 127.62 2d8m h PRO 109 Ca 0.00 -0.12 0.17 0.00 -0.87 0.00 0.00 66.00 65.18 2d8m h PRO 109 Cb 0.13 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.96 2d8m h PRO 109 CO 0.00 0.65 0.78 0.20 -0.23 0.00 0.00 178.00 179.40 2d8m s GLY 110 N -3.34 0.14 -0.95 1.56 0.00 -1.26 -5.06 107.32 98.42 2d8m s GLY 110 Ca -0.15 3.06 -0.24 0.00 0.00 0.00 0.00 44.72 47.40 2d8m s GLY 110 CO 0.72 1.64 1.99 -1.14 0.00 0.00 0.00 173.10 176.32 2d8m n SER 111 N 1.38 0.91 -0.05 1.64 3.41 -1.26 -4.36 113.62 115.29 2d8m n SER 111 Ca -0.08 -2.32 -0.10 0.00 -0.26 0.00 0.00 58.87 56.11 2d8m n SER 111 Cb 0.57 -1.59 -0.04 0.00 -0.26 0.00 0.00 64.21 62.89 2d8m n SER 111 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d8m n SER 112 N 18.10 1.29 -0.35 4.04 3.41 -1.26 -4.57 113.62 134.27 2d8m n SER 112 Ca 0.36 0.09 -0.02 0.00 -0.26 0.00 0.00 58.87 59.04 2d8m n SER 112 Cb 0.47 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2d8m n SER 112 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2d8m h SER 113 N -0.29 -1.42 -4.36 4.04 0.02 -2.06 -3.18 113.55 106.30 2d8m h SER 113 Ca -0.25 0.30 -0.64 0.00 -0.84 0.00 0.00 61.79 60.36 2d8m h SER 113 Cb 1.25 0.73 -0.41 0.00 0.14 0.00 0.00 62.40 64.12 2d8m h SER 113 CO -0.13 -0.29 -0.63 -1.61 -1.14 0.00 0.00 176.83 173.03 2d8m s GLU 114 N -5.94 1.97 0.41 3.45 2.02 -1.26 -5.10 118.70 114.25 2d8m s GLU 114 Ca -0.14 -2.62 -0.22 0.00 0.02 0.00 0.00 54.97 52.01 2d8m s GLU 114 Cb 0.19 -3.31 -0.10 0.00 0.10 0.00 0.00 34.13 31.01 2d8m s GLU 114 CO 0.71 -1.11 0.98 -1.21 0.02 0.00 0.00 175.26 174.65 2d8m s GLU 115 N -0.28 4.23 0.20 1.61 2.02 -1.20 -5.01 118.70 120.28 2d8m s GLU 115 Ca 0.17 1.26 -0.04 0.00 0.02 0.00 0.00 54.97 56.38 2d8m s GLU 115 Cb -0.26 -2.36 -0.05 0.00 0.10 0.00 0.00 34.13 31.56 2d8m s GLU 115 CO -0.00 -0.04 0.44 0.16 0.02 0.00 0.00 175.26 175.84 2d8m s ASP 116 N -1.93 6.45 0.09 -0.19 -4.77 -1.26 -5.01 116.67 110.05 2d8m s ASP 116 Ca 0.60 0.58 -0.01 0.00 -3.30 0.00 0.00 52.55 50.41 2d8m s ASP 116 Cb -0.14 -2.09 -0.25 0.00 -1.09 0.00 0.00 42.92 39.35 2d8m s ASP 116 CO 0.19 -0.05 1.19 -0.33 0.70 0.00 0.00 175.17 176.86 2d8m h GLU 117 N 2.26 0.20 -1.36 2.11 5.08 -1.97 -3.47 114.58 117.43 2d8m h GLU 117 Ca -0.47 -0.34 0.13 0.00 -1.00 0.00 0.00 59.36 57.67 2d8m h GLU 117 Cb 1.18 0.13 -0.29 0.00 0.50 0.00 0.00 28.75 30.26 2d8m h GLU 117 CO 0.69 1.16 0.62 0.00 -1.00 0.00 0.00 179.01 180.48 2d8m s ALA 118 N -2.69 -2.16 0.66 3.43 0.00 -1.26 -5.00 121.76 114.73 2d8m s ALA 118 Ca -0.03 1.86 0.23 0.00 0.00 0.00 0.00 51.96 54.02 2d8m s ALA 118 Cb 0.08 -1.64 1.23 0.00 0.00 0.00 0.00 23.12 22.79 2d8m s ALA 118 CO 0.87 -0.21 1.69 0.66 0.00 0.00 0.00 175.76 178.77 2d8m h SER 119 N 4.15 0.00 -3.19 0.00 4.64 -2.05 -3.29 113.55 113.81 2d8m h SER 119 Ca -0.28 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.30 2d8m h SER 119 Cb 1.18 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.01 2d8m h SER 119 CO 0.16 0.00 -0.30 -1.38 -0.87 0.00 0.00 176.83 174.44 2d8m s HIS 120 N -4.11 3.32 -0.86 4.77 0.00 -1.26 -5.01 115.29 112.14 2d8m s HIS 120 Ca -0.03 -1.52 -0.25 0.00 -3.00 0.00 0.00 55.06 50.26 2d8m s HIS 120 Cb 0.07 -3.64 -0.08 0.00 -4.00 0.00 0.00 32.58 24.93 2d8m s HIS 120 CO 0.23 -1.00 2.10 0.45 -1.00 0.00 0.00 174.74 175.52 2d8m s SER 121 N 3.17 4.72 -0.10 7.38 0.15 -1.24 -4.91 113.70 122.87 2d8m s SER 121 Ca 0.04 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.30 2d8m s SER 121 Cb -0.28 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.48 2d8m s SER 121 CO 0.02 -3.13 -0.18 -0.83 1.20 0.00 0.00 173.24 170.32 2d8m s GLY 122 N 9.00 1.09 0.14 9.45 0.00 -1.26 -4.92 107.32 120.80 2d8m s GLY 122 Ca 0.78 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.75 2d8m s GLY 122 CO 0.02 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.74 2d8m n GLY 123 N 3.87 -1.06 0.34 0.20 0.00 -1.26 -5.01 105.19 102.27 2d8m n GLY 123 Ca -0.20 0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2d8m n GLY 123 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d8m h SER 124 N 0.00 -0.69 -0.03 1.61 0.02 -2.04 -3.50 113.55 108.93 2d8m h SER 124 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2d8m h SER 124 Cb 0.00 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2d8m h SER 124 CO 0.00 -0.35 0.00 0.61 -1.14 0.00 0.00 176.83 175.95 2d8m n GLY 125 N -0.78 -0.38 3.74 -3.77 0.00 -1.26 -5.12 105.19 97.63 2d8m n GLY 125 Ca -0.12 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.00 4.41 -0.05 1.61 0.04 -1.26 -5.04 135.00 132.72 2d8m s PRO 126 Ca 0.00 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.09 2d8m s PRO 126 Cb 0.00 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.39 2d8m s PRO 126 CO 0.00 -0.19 -0.01 -1.54 0.04 0.00 0.00 177.00 175.30 2d8m s SER 127 N 0.07 1.01 0.06 6.66 1.04 -1.26 -5.05 113.70 116.23 2d8m s SER 127 Ca 0.54 -0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.93 2d8m s SER 127 Cb -0.36 -0.37 -0.04 0.00 0.10 0.00 0.00 66.02 65.35 2d8m s SER 127 CO 0.41 -0.12 -0.01 -0.55 0.98 0.00 0.00 173.24 173.95 2d8m s SER 128 N 1.32 5.00 0.00 7.02 0.15 -1.26 -5.11 113.70 120.82 2d8m s SER 128 Ca -0.05 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2d8m s SER 128 Cb -0.13 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2d8m s SER 128 CO -0.02 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.24