#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dow s SER 2 N 0.00 4.74 -0.56 1.61 0.01 -1.26 -4.95 113.70 113.29 3dow s SER 2 Ca 0.00 -0.09 -0.33 0.00 1.31 0.00 0.00 55.95 56.84 3dow s SER 2 Cb 0.00 -1.15 -0.14 0.00 0.21 0.00 0.00 66.02 64.94 3dow s SER 2 CO 0.00 0.30 2.37 0.80 0.41 0.00 0.00 173.24 177.12 3dow n MET 3 N 1.64 0.72 -3.94 12.44 0.00 -1.26 -4.91 117.12 121.79 3dow n MET 3 Ca -0.16 0.13 -0.35 0.00 -0.00 0.00 0.00 57.70 57.32 3dow n MET 3 Cb 0.53 -2.38 -0.14 0.00 0.00 0.00 0.00 33.22 31.23 3dow n MET 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 3dow s LYS 4 N 7.39 3.18 -0.01 2.12 0.00 -1.26 -5.10 119.74 126.06 3dow s LYS 4 Ca 1.14 -0.75 0.03 0.00 0.00 0.00 0.00 55.97 56.39 3dow s LYS 4 Cb -0.85 -2.95 -0.03 0.00 0.00 0.00 0.00 37.83 34.00 3dow s LYS 4 CO 0.45 -0.26 -0.07 -0.06 0.00 0.00 0.00 175.35 175.42 3dow s PHE 5 N 1.42 2.90 0.01 1.78 0.40 -1.26 -4.93 117.98 118.29 3dow s PHE 5 Ca 0.04 -0.03 0.13 0.00 -0.60 0.00 0.00 56.93 56.48 3dow s PHE 5 Cb -0.15 -1.63 0.11 0.00 0.51 0.00 0.00 43.02 41.87 3dow s PHE 5 CO -0.05 0.37 1.46 0.28 0.70 0.00 0.00 175.22 177.98 3dow h VAL 6 N 3.83 1.16 0.00 -0.44 2.07 -1.99 -3.22 116.25 117.66 3dow h VAL 6 Ca -0.48 -2.45 -0.10 0.00 0.82 0.00 0.00 66.70 64.48 3dow h VAL 6 Cb 1.17 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 3dow h VAL 6 CO 0.53 0.62 -0.47 0.22 0.02 0.00 0.00 177.57 178.50 3dow h TYR 7 N 0.00 0.00 0.00 1.57 3.20 -1.97 -1.33 116.97 118.44 3dow h TYR 7 Ca -0.01 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3dow h TYR 7 Cb 1.40 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 3dow h TYR 7 CO 0.00 0.47 -0.40 0.87 -1.64 0.00 0.00 178.16 177.46 3dow h LYS 8 N 0.00 0.00 0.00 1.82 1.57 -1.82 -2.95 116.57 115.19 3dow h LYS 8 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dow h LYS 8 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3dow h LYS 8 CO 0.06 0.40 -0.76 0.39 -0.57 0.00 0.00 179.45 178.97 3dow n GLU 9 N -3.44 0.30 0.05 3.15 -0.58 -0.89 -3.99 120.64 115.24 3dow n GLU 9 Ca 0.00 0.06 0.08 0.00 -0.42 0.00 0.00 57.16 56.89 3dow n GLU 9 Cb 0.56 -1.66 -0.08 0.00 -0.57 0.00 0.00 31.44 29.69 3dow n GLU 9 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3dow n GLU 10 N -2.09 0.63 -4.04 3.49 1.02 -0.55 -4.90 120.64 114.20 3dow n GLU 10 Ca 0.03 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 57.02 3dow n GLU 10 Cb 0.44 -1.71 -0.16 0.00 -0.02 0.00 0.00 31.44 29.99 3dow n GLU 10 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3dow s HIS 11 N -3.30 0.46 1.08 -0.32 3.76 -1.12 -5.10 115.29 110.76 3dow s HIS 11 Ca -0.04 -0.08 -0.15 0.00 -0.15 0.00 0.00 55.06 54.65 3dow s HIS 11 Cb 0.11 -0.46 0.23 0.00 1.11 0.00 0.00 32.58 33.56 3dow s HIS 11 CO 0.83 -0.13 1.10 -2.14 -0.85 0.00 0.00 174.74 173.55 3dow s PRO 12 N 0.80 -0.22 0.10 8.40 0.02 -1.26 -4.67 135.00 138.17 3dow s PRO 12 Ca -0.09 0.30 -0.07 0.00 0.02 0.00 0.00 61.00 61.15 3dow s PRO 12 Cb -0.12 -1.68 -0.17 0.00 0.02 0.00 0.00 34.50 32.54 3dow s PRO 12 CO -0.01 -3.12 1.23 0.35 -0.33 0.00 0.00 177.00 175.13 3dow h PHE 13 N -2.16 0.71 -0.48 6.54 3.57 -1.99 -1.98 116.94 121.15 3dow h PHE 13 Ca -0.52 -0.42 0.07 0.00 3.53 0.00 0.00 57.97 60.63 3dow h PHE 13 Cb 1.32 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.93 3dow h PHE 13 CO -0.53 1.26 0.14 1.49 -2.23 0.00 0.00 178.31 178.44 3dow h GLU 14 N 0.23 0.29 -0.40 1.11 4.81 -1.99 -1.85 114.58 116.78 3dow h GLU 14 Ca -0.11 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3dow h GLU 14 Cb 1.71 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 3dow h GLU 14 CO 0.19 0.19 0.01 0.87 -0.73 0.00 0.00 179.01 179.54 3dow h LYS 15 N 0.30 0.70 -0.02 1.92 1.57 -1.89 -2.39 116.57 116.76 3dow h LYS 15 Ca 0.23 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3dow h LYS 15 Cb 0.27 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3dow h LYS 15 CO -0.26 0.78 -0.03 0.00 -0.57 0.00 0.00 179.45 179.37 3dow h ARG 16 N 0.53 0.05 -0.06 3.15 3.08 -1.25 -2.09 114.38 117.81 3dow h ARG 16 Ca 0.12 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3dow h ARG 16 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3dow h ARG 16 CO 0.02 0.55 0.04 -0.09 -1.07 0.00 0.00 179.97 179.43 3dow h ARG 17 N -0.44 0.00 0.13 0.04 2.43 -1.36 0.11 114.38 115.29 3dow h ARG 17 Ca 0.00 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 3dow h ARG 17 Cb 0.55 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3dow h ARG 17 CO 0.01 0.00 -1.24 0.77 -1.51 0.00 0.00 179.97 177.99 3dow h SER 18 N 0.00 0.59 0.24 -3.80 0.02 -1.33 -1.90 113.55 107.37 3dow h SER 18 Ca 0.03 -0.59 -0.14 0.00 -0.84 0.00 0.00 61.79 60.24 3dow h SER 18 Cb 0.12 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3dow h SER 18 CO -0.00 1.44 -0.55 -0.08 -1.14 0.00 0.00 176.83 176.50 3dow h GLU 19 N 0.14 0.33 -0.17 3.45 4.81 -0.57 -2.74 114.58 119.82 3dow h GLU 19 Ca -0.16 -0.20 -0.21 0.00 -0.13 0.00 0.00 59.36 58.66 3dow h GLU 19 Cb 1.94 0.02 0.01 0.00 0.63 0.00 0.00 28.75 31.35 3dow h GLU 19 CO 0.22 0.79 -0.72 0.78 -0.73 0.00 0.00 179.01 179.34 3dow h GLY 20 N 1.31 0.86 1.03 1.92 0.00 -0.84 -1.22 103.07 106.14 3dow h GLY 20 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 47.33 46.10 3dow h GLY 20 CO 0.09 1.06 0.33 -2.09 0.00 0.00 0.00 176.54 175.93 3dow h GLU 21 N 0.52 1.13 -0.26 4.80 4.81 -1.36 -1.03 114.58 123.18 3dow h GLU 21 Ca -0.04 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.88 3dow h GLU 21 Cb 1.35 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 3dow h GLU 21 CO 0.15 0.90 -0.28 0.87 -0.73 0.00 0.00 179.01 179.92 3dow h LYS 22 N 1.09 0.65 0.00 1.92 1.57 -1.43 -1.02 116.57 119.36 3dow h LYS 22 Ca 0.26 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3dow h LYS 22 Cb 0.18 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3dow h LYS 22 CO -0.03 0.96 -0.29 0.97 -0.57 0.00 0.00 179.45 180.49 3dow h ILE 23 N 0.38 0.65 0.05 1.86 6.09 -1.05 0.49 117.51 125.97 3dow h ILE 23 Ca 0.04 -1.38 -0.23 0.00 -1.37 0.00 0.00 64.86 61.92 3dow h ILE 23 Cb 0.85 1.92 -0.00 0.00 0.47 0.00 0.00 36.82 40.06 3dow h ILE 23 CO 0.07 0.29 -1.03 0.03 -3.07 0.00 0.00 178.15 174.43 3dow h ARG 24 N 0.00 0.28 0.00 2.19 2.47 -1.16 -1.88 114.38 116.28 3dow h ARG 24 Ca -0.00 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 3dow h ARG 24 Cb 0.89 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 3dow h ARG 24 CO 0.04 1.10 0.00 1.63 0.56 0.00 0.00 179.97 183.30 3dow n LYS 25 N -3.63 0.00 -0.08 0.04 5.02 -0.39 -3.18 118.16 115.95 3dow n LYS 25 Ca -0.06 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.14 3dow n LYS 25 Cb 0.90 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.34 3dow n LYS 25 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3dow n LYS 26 N -1.51 0.37 -3.31 1.97 4.81 0.06 -4.78 118.16 115.79 3dow n LYS 26 Ca 0.06 0.12 -0.27 0.00 -0.87 0.00 0.00 58.31 57.35 3dow n LYS 26 Cb 0.31 -1.22 -0.07 0.00 0.02 0.00 0.00 35.03 34.07 3dow n LYS 26 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3dow n TYR 27 N -3.29 3.53 -0.25 5.64 4.01 -0.71 -4.94 117.16 121.15 3dow n TYR 27 Ca -0.30 -4.10 0.10 0.00 -0.16 0.00 0.00 57.90 53.45 3dow n TYR 27 Cb 0.77 -0.53 0.37 0.00 -0.31 0.00 0.00 39.34 39.63 3dow n TYR 27 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3dow h PRO 28 N 3.90 0.69 0.00 -0.72 0.13 -1.77 -1.70 132.00 132.54 3dow h PRO 28 Ca 0.18 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3dow h PRO 28 Cb 0.64 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3dow h PRO 28 CO 0.81 0.46 0.00 -0.40 -0.23 0.00 0.00 178.00 178.64 3dow n ASP 29 N -4.53 0.04 -4.65 1.44 5.75 -1.26 -4.74 116.55 108.59 3dow n ASP 29 Ca 0.15 0.51 -0.27 0.00 -0.01 0.00 0.00 54.79 55.17 3dow n ASP 29 Cb 0.40 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.89 3dow n ASP 29 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3dow s ARG 30 N -3.01 2.38 -0.11 0.11 1.81 -0.64 -1.91 118.95 117.58 3dow s ARG 30 Ca 0.10 -1.10 0.01 0.00 -1.72 0.00 0.00 55.73 53.02 3dow s ARG 30 Cb 0.13 -2.35 -0.02 0.00 -0.45 0.00 0.00 34.95 32.26 3dow s ARG 30 CO 0.38 0.46 -0.12 0.14 -0.68 0.00 0.00 175.30 175.48 3dow s VAL 31 N -1.68 3.15 -0.01 3.52 -7.23 -0.19 -4.89 120.40 113.07 3dow s VAL 31 Ca 0.27 -0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 3dow s VAL 31 Cb -0.09 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 3dow s VAL 31 CO 0.18 0.55 1.19 -2.16 -0.31 0.00 0.00 175.10 174.54 3dow s PRO 32 N -0.02 4.39 -0.08 4.82 0.04 -1.26 -2.13 135.00 140.76 3dow s PRO 32 Ca -0.03 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.72 3dow s PRO 32 Cb -0.14 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.93 3dow s PRO 32 CO 0.04 -0.36 -0.12 0.08 0.04 0.00 0.00 177.00 176.67 3dow s VAL 33 N 1.77 1.22 -0.25 -0.36 1.01 -0.07 -1.64 120.40 122.08 3dow s VAL 33 Ca 0.57 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 3dow s VAL 33 Cb -0.26 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3dow s VAL 33 CO 0.25 0.38 0.26 -0.63 0.00 0.00 0.00 175.10 175.36 3dow s ILE 34 N 0.89 5.28 -0.18 2.22 -1.09 0.23 -1.50 121.20 127.05 3dow s ILE 34 Ca -0.10 0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.70 3dow s ILE 34 Cb -0.15 -3.60 0.03 0.00 -1.58 0.00 0.00 42.46 37.16 3dow s ILE 34 CO 0.01 0.26 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.13 3dow s VAL 35 N 1.49 1.86 0.07 2.92 1.01 -0.24 -1.08 120.40 126.43 3dow s VAL 35 Ca 0.11 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3dow s VAL 35 Cb -0.15 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3dow s VAL 35 CO 0.08 0.42 -0.11 -1.61 0.00 0.00 0.00 175.10 173.87 3dow s GLU 36 N 1.35 0.73 0.06 2.72 2.02 -0.85 -4.57 118.70 120.16 3dow s GLU 36 Ca 0.03 -0.94 -0.31 0.00 0.02 0.00 0.00 54.97 53.78 3dow s GLU 36 Cb -0.14 -0.59 -0.06 0.00 0.10 0.00 0.00 34.13 33.44 3dow s GLU 36 CO -0.11 0.12 1.27 0.21 0.02 0.00 0.00 175.26 176.77 3dow s LYS 37 N -1.92 4.38 0.75 1.61 2.20 -1.26 -1.43 119.74 124.07 3dow s LYS 37 Ca -0.03 1.86 -0.14 0.00 -0.36 0.00 0.00 55.97 57.30 3dow s LYS 37 Cb -0.08 -3.37 0.05 0.00 -1.51 0.00 0.00 37.83 32.92 3dow s LYS 37 CO 0.01 -0.36 1.17 0.00 -0.36 0.00 0.00 175.35 175.81 3dow s ALA 38 N 1.34 2.08 0.50 3.13 0.00 -0.21 -4.84 121.76 123.77 3dow s ALA 38 Ca 0.61 0.72 -0.23 0.00 0.00 0.00 0.00 51.96 53.05 3dow s ALA 38 Cb -0.31 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 3dow s ALA 38 CO 0.28 -1.91 1.35 -2.30 0.00 0.00 0.00 175.76 173.18 3dow n PRO 39 N -2.99 1.85 -0.83 0.00 -0.02 -1.26 -2.48 135.00 129.27 3dow n PRO 39 Ca 0.12 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3dow n PRO 39 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3dow n PRO 39 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3dow n LYS 40 N -0.61 -0.34 -2.29 -0.52 4.01 -1.26 -3.99 118.16 113.15 3dow n LYS 40 Ca 0.08 0.09 -0.42 0.00 -0.51 0.00 0.00 58.31 57.55 3dow n LYS 40 Cb 0.43 -3.71 -0.03 0.00 -0.51 0.00 0.00 35.03 31.22 3dow n LYS 40 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3dow s ALA 41 N -2.12 3.57 -0.84 7.82 0.00 -1.04 -4.87 121.76 124.29 3dow s ALA 41 Ca 0.00 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 3dow s ALA 41 Cb 0.00 -3.59 0.17 0.00 0.00 0.00 0.00 23.12 19.70 3dow s ALA 41 CO 0.00 -0.95 0.91 1.03 0.00 0.00 0.00 175.76 176.75 3dow s ARG 42 N 2.63 3.52 -0.03 0.00 1.81 -1.26 -4.96 118.95 120.66 3dow s ARG 42 Ca 0.61 -2.01 -0.30 0.00 -1.72 0.00 0.00 55.73 52.31 3dow s ARG 42 Cb -0.29 -4.61 0.11 0.00 -0.45 0.00 0.00 34.95 29.72 3dow s ARG 42 CO 0.24 -1.52 1.09 -1.50 -0.68 0.00 0.00 175.30 172.93 3dow s ILE 43 N 1.56 0.00 1.32 1.52 2.07 -1.26 -4.64 121.20 121.77 3dow s ILE 43 Ca 0.23 -0.18 -0.19 0.00 -1.41 0.00 0.00 60.65 59.09 3dow s ILE 43 Cb -0.10 -1.42 0.33 0.00 0.13 0.00 0.00 42.46 41.40 3dow s ILE 43 CO -0.07 0.00 0.98 -0.83 -1.91 0.00 0.00 174.94 173.11 3dow s GLY 44 N -2.59 1.47 0.20 1.50 0.00 -1.26 -5.04 107.32 101.59 3dow s GLY 44 Ca 0.10 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.24 3dow s GLY 44 CO -0.04 0.25 -0.04 0.99 0.00 0.00 0.00 173.10 174.26 3dow s ASP 45 N -3.11 4.52 -0.16 1.64 1.01 -1.26 -5.00 116.67 114.32 3dow s ASP 45 Ca 0.69 -0.52 -0.08 0.00 0.71 0.00 0.00 52.55 53.35 3dow s ASP 45 Cb -0.16 -0.86 -0.04 0.00 1.01 0.00 0.00 42.92 42.86 3dow s ASP 45 CO 0.59 0.07 0.11 -0.76 0.21 0.00 0.00 175.17 175.40 3dow s LEU 46 N -3.07 4.18 0.02 1.23 1.43 -1.26 -4.66 118.68 116.55 3dow s LEU 46 Ca 0.27 0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 53.40 3dow s LEU 46 Cb -0.08 -2.04 -0.16 0.00 0.03 0.00 0.00 46.19 43.93 3dow s LEU 46 CO 0.18 0.29 1.29 -2.24 0.23 0.00 0.00 176.35 176.10 3dow h ASP 47 N 5.88 -0.56 -2.91 2.29 2.03 -1.99 -3.44 116.42 117.71 3dow h ASP 47 Ca -0.47 -0.07 -0.61 0.00 -0.73 0.00 0.00 57.03 55.16 3dow h ASP 47 Cb 1.19 0.15 -0.05 0.00 -0.83 0.00 0.00 39.33 39.78 3dow h ASP 47 CO 0.66 -0.23 -0.53 -1.59 -1.03 0.00 0.00 179.24 176.52 3dow s LYS 48 N -5.00 3.23 -0.01 4.15 0.00 -1.26 -5.01 119.74 115.84 3dow s LYS 48 Ca -0.15 -0.58 0.17 0.00 0.00 0.00 0.00 55.97 55.41 3dow s LYS 48 Cb 0.02 -2.90 -0.23 0.00 0.00 0.00 0.00 37.83 34.72 3dow s LYS 48 CO 0.53 0.57 0.53 1.63 0.00 0.00 0.00 175.35 178.61 3dow n LYS 49 N 0.15 0.96 -3.76 1.78 5.02 -1.26 -4.90 118.16 116.15 3dow n LYS 49 Ca -0.07 -0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 55.77 3dow n LYS 49 Cb 0.52 -1.35 -0.11 0.00 -0.02 0.00 0.00 35.03 34.06 3dow n LYS 49 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3dow s LYS 50 N -2.91 3.81 -0.04 1.97 1.02 -1.26 -1.08 119.74 121.24 3dow s LYS 50 Ca -0.01 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.58 3dow s LYS 50 Cb 0.12 -3.40 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3dow s LYS 50 CO 0.70 -0.09 0.01 0.71 -0.92 0.00 0.00 175.35 175.77 3dow s TYR 51 N 1.39 0.38 -0.48 3.18 2.02 -0.56 -5.00 117.35 118.27 3dow s TYR 51 Ca 0.06 -0.00 -0.22 0.00 -0.37 0.00 0.00 57.07 56.54 3dow s TYR 51 Cb -0.15 -0.54 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 3dow s TYR 51 CO 0.05 -0.20 0.75 -0.51 -1.57 0.00 0.00 175.55 174.08 3dow s LEU 52 N 1.49 4.41 -0.10 -1.29 2.01 -1.26 -0.89 118.68 123.06 3dow s LEU 52 Ca -0.03 -0.36 0.01 0.00 0.01 0.00 0.00 54.13 53.76 3dow s LEU 52 Cb -0.13 -2.78 -0.02 0.00 0.01 0.00 0.00 46.19 43.27 3dow s LEU 52 CO -0.03 -0.94 -0.12 0.68 1.01 0.00 0.00 176.35 176.95 3dow s VAL 53 N 3.19 3.17 0.49 -1.59 -7.23 -0.90 -4.88 120.40 112.65 3dow s VAL 53 Ca 0.25 -0.65 -0.23 0.00 -1.81 0.00 0.00 61.98 59.55 3dow s VAL 53 Cb -0.14 -2.30 -0.08 0.00 0.56 0.00 0.00 36.38 34.42 3dow s VAL 53 CO 0.19 0.55 1.12 -0.81 -0.31 0.00 0.00 175.10 175.84 3dow n PRO 54 N 2.95 1.44 0.27 4.82 -0.04 -1.26 -1.02 135.00 142.15 3dow n PRO 54 Ca -0.18 0.52 0.14 0.00 -0.04 0.00 0.00 63.50 63.95 3dow n PRO 54 Cb 0.53 -2.24 0.73 0.00 -0.04 0.00 0.00 33.50 32.47 3dow n PRO 54 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3dow h SER 55 N 1.39 0.00 1.04 3.54 0.02 -1.72 -3.10 113.55 114.71 3dow h SER 55 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3dow h SER 55 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 3dow h SER 55 CO 0.56 0.11 -0.55 -2.24 -1.14 0.00 0.00 176.83 173.57 3dow h ASP 56 N 0.00 0.00 -3.70 3.07 3.04 -1.90 -1.69 116.42 115.25 3dow h ASP 56 Ca -0.00 -0.14 -0.53 0.00 -3.24 0.00 0.00 57.03 53.12 3dow h ASP 56 Cb 0.40 0.00 0.08 0.00 -1.04 0.00 0.00 39.33 38.76 3dow h ASP 56 CO 0.01 0.07 0.74 -0.76 -2.04 0.00 0.00 179.24 177.26 3dow s LEU 57 N -4.53 4.38 0.78 0.15 1.43 -1.17 -4.77 118.68 114.93 3dow s LEU 57 Ca 0.06 2.81 -0.10 0.00 -1.03 0.00 0.00 54.13 55.87 3dow s LEU 57 Cb 0.12 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.78 3dow s LEU 57 CO 0.71 -0.72 1.12 0.42 0.23 0.00 0.00 176.35 178.11 3dow s THR 58 N -0.69 2.11 0.17 5.49 -4.23 -1.26 -0.15 115.64 117.08 3dow s THR 58 Ca 0.54 -0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 3dow s THR 58 Cb -0.43 -2.99 0.05 0.00 1.34 0.00 0.00 72.50 70.47 3dow s THR 58 CO 0.52 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.81 3dow h VAL 59 N -0.90 1.27 -0.64 2.29 2.07 -0.83 -2.33 116.25 117.17 3dow h VAL 59 Ca -0.45 -1.14 0.12 0.00 0.82 0.00 0.00 66.70 66.05 3dow h VAL 59 Cb 1.32 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 31.87 3dow h VAL 59 CO 0.61 0.41 0.17 1.23 0.02 0.00 0.00 177.57 180.02 3dow h GLY 60 N 0.89 0.86 2.00 2.17 0.00 -1.65 0.16 103.07 107.50 3dow h GLY 60 Ca 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 3dow h GLY 60 CO 0.03 -0.10 -0.32 1.46 0.00 0.00 0.00 176.54 177.60 3dow h GLN 61 N 0.31 0.00 0.03 4.80 4.20 -1.78 -3.04 115.11 119.63 3dow h GLN 61 Ca 0.34 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.87 3dow h GLN 61 Cb 0.50 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.29 3dow h GLN 61 CO -0.39 0.32 -0.70 0.35 -0.67 0.00 0.00 178.83 177.73 3dow h PHE 62 N 0.00 0.65 -0.16 2.96 3.57 -0.50 -2.54 116.94 120.92 3dow h PHE 62 Ca -0.00 -0.38 0.05 0.00 3.53 0.00 0.00 57.97 61.17 3dow h PHE 62 Cb 0.72 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 3dow h PHE 62 CO 0.00 1.21 0.63 1.88 -2.23 0.00 0.00 178.31 179.81 3dow h TYR 63 N -0.10 0.00 0.00 0.41 0.05 -0.65 -1.92 116.97 114.75 3dow h TYR 63 Ca -0.10 0.00 -0.39 0.00 0.05 0.00 0.00 58.73 58.30 3dow h TYR 63 Cb 1.43 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 39.10 3dow h TYR 63 CO 0.15 0.00 -2.46 0.34 -1.05 0.00 0.00 178.16 175.14 3dow n PHE 64 N -2.93 0.00 0.21 4.88 7.35 -1.13 -2.01 117.46 123.83 3dow n PHE 64 Ca 0.02 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.81 3dow n PHE 64 Cb 0.71 -1.00 0.40 0.00 0.35 0.00 0.00 39.48 39.94 3dow n PHE 64 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3dow h LEU 65 N 0.00 0.00 0.16 -2.13 3.38 -0.96 -2.75 115.31 113.01 3dow h LEU 65 Ca -0.57 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.11 3dow h LEU 65 Cb 1.95 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.72 3dow h LEU 65 CO -0.07 0.25 -1.42 0.40 0.09 0.00 0.00 178.44 177.69 3dow h ILE 66 N 0.00 1.13 -0.82 1.22 1.08 -1.52 -3.22 117.51 115.37 3dow h ILE 66 Ca -0.00 -2.50 0.21 0.00 -0.39 0.00 0.00 64.86 62.18 3dow h ILE 66 Cb 0.83 2.87 -0.05 0.00 -3.07 0.00 0.00 36.82 37.40 3dow h ILE 66 CO 0.03 0.77 0.57 -0.09 -0.69 0.00 0.00 178.15 178.74 3dow h ARG 67 N -0.13 0.17 -0.12 2.37 2.43 -1.30 0.93 114.38 118.72 3dow h ARG 67 Ca -0.28 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.65 3dow h ARG 67 Cb 1.90 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 31.42 3dow h ARG 67 CO 0.14 0.11 -0.83 0.87 -1.51 0.00 0.00 179.97 178.75 3dow h LYS 68 N 0.17 0.75 -0.37 0.20 1.57 -1.57 0.06 116.57 117.37 3dow h LYS 68 Ca 0.41 -0.65 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 3dow h LYS 68 Cb 1.34 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.78 3dow h LYS 68 CO -0.07 1.25 -0.13 0.00 -0.57 0.00 0.00 179.45 179.93 3dow h ARG 69 N 0.50 0.67 0.01 3.15 2.47 -0.86 -3.13 114.38 117.18 3dow h ARG 69 Ca -0.07 -0.22 -0.31 0.00 -1.26 0.00 0.00 59.98 58.13 3dow h ARG 69 Cb 1.46 -0.06 -0.05 0.00 -1.65 0.00 0.00 29.97 29.68 3dow h ARG 69 CO 0.17 0.77 -1.84 -0.89 0.56 0.00 0.00 179.97 178.75 3dow n ILE 70 N -4.17 1.59 -2.80 2.04 5.41 -0.68 -4.93 119.36 115.82 3dow n ILE 70 Ca 0.01 -0.79 -0.03 0.00 1.00 0.00 0.00 62.75 62.94 3dow n ILE 70 Cb 0.36 -1.03 -0.03 0.00 -0.71 0.00 0.00 39.64 38.24 3dow n ILE 70 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 3dow n HIS 71 N -3.05 -2.76 -2.54 1.39 -0.00 0.01 -4.81 115.22 103.46 3dow n HIS 71 Ca -0.21 1.55 -0.41 0.00 -0.00 0.00 0.00 57.72 58.66 3dow n HIS 71 Cb 1.07 -2.83 -0.04 0.00 -0.00 0.00 0.00 29.99 28.18 3dow n HIS 71 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3dow s LEU 72 N -0.56 4.54 0.92 0.27 1.43 -1.25 -4.92 118.68 119.11 3dow s LEU 72 Ca -0.16 2.13 -0.14 0.00 -1.03 0.00 0.00 54.13 54.93 3dow s LEU 72 Cb 0.01 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 42.80 3dow s LEU 72 CO 0.49 -0.13 1.28 -0.13 0.23 0.00 0.00 176.35 178.09 3dow s ARG 73 N -0.88 0.85 0.04 1.70 3.00 -1.26 -4.92 118.95 117.49 3dow s ARG 73 Ca 0.46 -0.45 -0.35 0.00 0.00 0.00 0.00 55.73 55.40 3dow s ARG 73 Cb -0.30 -1.91 -0.14 0.00 0.00 0.00 0.00 34.95 32.61 3dow s ARG 73 CO 0.37 -2.25 1.64 0.00 0.00 0.00 0.00 175.30 175.06 3dow n ALA 74 N -3.63 0.74 -1.77 2.13 0.00 -1.26 -1.65 120.51 115.07 3dow n ALA 74 Ca 0.15 0.41 -0.19 0.00 0.00 0.00 0.00 53.44 53.80 3dow n ALA 74 Cb 0.60 -2.34 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 3dow n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dow n GLU 75 N 4.34 -1.40 -2.78 0.00 1.02 -1.26 -4.98 120.64 115.58 3dow n GLU 75 Ca 0.20 1.12 -0.37 0.00 -0.02 0.00 0.00 57.16 58.08 3dow n GLU 75 Cb 0.26 -5.50 -0.06 0.00 -0.02 0.00 0.00 31.44 26.12 3dow n GLU 75 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3dow s ASP 76 N -2.62 7.33 0.29 1.62 1.01 -0.66 -5.09 116.67 118.56 3dow s ASP 76 Ca 0.00 1.84 0.10 0.00 0.71 0.00 0.00 52.55 55.19 3dow s ASP 76 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 3dow s ASP 76 CO 0.00 -0.07 -0.02 0.00 0.21 0.00 0.00 175.17 175.29 3dow s ALA 77 N -1.62 3.13 -0.14 5.23 0.00 -1.26 -4.88 121.76 122.21 3dow s ALA 77 Ca 0.50 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 3dow s ALA 77 Cb -0.19 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.40 3dow s ALA 77 CO 0.24 0.20 0.01 -1.17 0.00 0.00 0.00 175.76 175.03 3dow s LEU 78 N -3.67 1.05 0.16 0.00 2.96 -1.26 -3.88 118.68 114.04 3dow s LEU 78 Ca 0.32 -0.52 0.11 0.00 -0.22 0.00 0.00 54.13 53.82 3dow s LEU 78 Cb -0.04 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 3dow s LEU 78 CO 0.19 -0.24 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.38 3dow s PHE 79 N 1.85 2.24 0.28 5.38 0.08 0.25 -4.97 117.98 123.11 3dow s PHE 79 Ca 0.02 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 56.77 3dow s PHE 79 Cb -0.15 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 3dow s PHE 79 CO -0.07 0.42 0.10 -0.06 -0.10 0.00 0.00 175.22 175.51 3dow s PHE 80 N -1.45 2.83 -0.13 0.36 0.08 -1.26 -1.53 117.98 116.88 3dow s PHE 80 Ca 0.17 -0.23 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 3dow s PHE 80 Cb -0.09 -1.39 0.05 0.00 -0.57 0.00 0.00 43.02 41.03 3dow s PHE 80 CO 0.08 0.50 0.31 -0.06 -0.10 0.00 0.00 175.22 175.95 3dow s PHE 81 N -2.29 -0.44 -0.20 0.36 0.08 0.26 -4.13 117.98 111.62 3dow s PHE 81 Ca 0.34 0.99 -0.03 0.00 0.12 0.00 0.00 56.93 58.35 3dow s PHE 81 Cb -0.06 0.12 0.06 0.00 -0.57 0.00 0.00 43.02 42.57 3dow s PHE 81 CO 0.22 -0.29 0.05 0.08 -0.10 0.00 0.00 175.22 175.18 3dow s VAL 82 N 1.50 0.46 -1.18 -0.44 1.01 -0.64 -1.63 120.40 119.47 3dow s VAL 82 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3dow s VAL 82 Cb -0.10 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3dow s VAL 82 CO -0.10 -0.27 0.00 0.59 0.00 0.00 0.00 175.10 175.32 3dow n ASN 83 N 5.07 -4.22 -0.02 3.32 5.03 -1.26 -3.17 115.26 120.01 3dow n ASN 83 Ca -0.08 0.03 -0.00 0.00 0.87 0.00 0.00 54.58 55.39 3dow n ASN 83 Cb 0.47 -3.34 -0.00 0.00 -1.02 0.00 0.00 39.78 35.89 3dow n ASN 83 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3dow n ASN 84 N -0.52 -1.48 -3.85 6.41 3.02 -1.26 -4.99 115.26 112.59 3dow n ASN 84 Ca -0.16 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.24 3dow n ASN 84 Cb 0.60 -0.53 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 3dow n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dow s VAL 85 N -2.01 0.15 -0.13 2.41 1.01 -1.19 -4.95 120.40 115.69 3dow s VAL 85 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 3dow s VAL 85 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 3dow s VAL 85 CO 0.00 0.10 1.44 -0.63 0.00 0.00 0.00 175.10 176.01 3dow s ILE 86 N 0.61 3.97 0.11 2.22 1.01 -1.26 -1.62 121.20 126.25 3dow s ILE 86 Ca -0.06 1.17 -0.31 0.00 0.00 0.00 0.00 60.65 61.45 3dow s ILE 86 Cb -0.09 -3.78 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 3dow s ILE 86 CO -0.01 -0.13 1.42 -2.84 0.00 0.00 0.00 174.94 173.37 3dow s PRO 87 N 3.81 4.30 0.21 2.79 0.02 -1.26 -4.95 135.00 139.92 3dow s PRO 87 Ca 0.63 2.12 -0.32 0.00 0.02 0.00 0.00 61.00 63.44 3dow s PRO 87 Cb -0.26 -3.26 -0.13 0.00 0.02 0.00 0.00 34.50 30.87 3dow s PRO 87 CO 0.21 -0.48 1.57 -0.35 -0.33 0.00 0.00 177.00 177.63 3dow n PRO 88 N 4.08 2.35 0.11 5.54 -0.04 -1.26 -4.84 135.00 140.94 3dow n PRO 88 Ca 0.12 0.84 0.09 0.00 -0.04 0.00 0.00 63.50 64.51 3dow n PRO 88 Cb 0.42 -2.60 0.43 0.00 -0.04 0.00 0.00 33.50 31.70 3dow n PRO 88 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3dow n THR 89 N 2.96 1.18 0.06 0.52 -2.24 -1.26 -1.78 114.28 113.72 3dow n THR 89 Ca 0.14 0.54 -0.05 0.00 -2.27 0.00 0.00 64.05 62.40 3dow n THR 89 Cb 0.32 -1.50 -0.10 0.00 -2.10 0.00 0.00 70.33 66.95 3dow n THR 89 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3dow h SER 90 N 0.00 0.00 -4.21 3.42 4.64 -1.96 -2.21 113.55 113.23 3dow h SER 90 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3dow h SER 90 Cb 0.10 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.36 3dow h SER 90 CO 0.00 0.91 0.35 0.00 -0.87 0.00 0.00 176.83 177.22 3dow s ALA 91 N -2.74 1.97 0.46 5.18 0.00 -0.73 -4.74 121.76 121.14 3dow s ALA 91 Ca 0.01 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.83 3dow s ALA 91 Cb 0.09 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3dow s ALA 91 CO 0.81 -2.09 0.63 -0.08 0.00 0.00 0.00 175.76 175.02 3dow s THR 92 N -2.18 2.86 0.12 0.00 -1.32 -1.26 -0.55 115.64 113.31 3dow s THR 92 Ca 0.72 -0.95 0.12 0.00 -1.21 0.00 0.00 61.69 60.37 3dow s THR 92 Cb -0.27 -2.91 -0.02 0.00 -1.51 0.00 0.00 72.50 67.79 3dow s THR 92 CO 0.49 0.00 1.52 0.24 -2.21 0.00 0.00 174.62 174.66 3dow h MET 93 N 0.50 0.00 -0.27 7.08 0.00 -0.57 -1.67 114.93 120.00 3dow h MET 93 Ca -0.39 0.00 -0.16 0.00 0.00 0.00 0.00 59.70 59.15 3dow h MET 93 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.88 3dow h MET 93 CO 0.45 0.64 -0.48 0.78 0.00 0.00 0.00 176.91 178.31 3dow h GLY 94 N 2.53 0.79 1.47 8.32 0.00 -1.55 -0.01 103.07 114.62 3dow h GLY 94 Ca -0.01 -0.86 -0.21 0.00 0.00 0.00 0.00 47.33 46.25 3dow h GLY 94 CO 0.08 0.78 -0.84 1.46 0.00 0.00 0.00 176.54 178.03 3dow h GLN 95 N 0.57 0.50 -0.55 4.80 4.20 -1.81 -1.51 115.11 121.31 3dow h GLN 95 Ca 0.03 -0.46 -0.09 0.00 0.06 0.00 0.00 58.65 58.19 3dow h GLN 95 Cb 1.04 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 3dow h GLN 95 CO 0.10 1.09 -0.00 1.25 -0.67 0.00 0.00 178.83 180.60 3dow h LEU 96 N 0.32 0.96 -0.05 1.46 5.85 -1.24 -0.89 115.31 121.71 3dow h LEU 96 Ca -0.06 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 3dow h LEU 96 Cb 1.45 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 3dow h LEU 96 CO 0.15 1.03 0.00 0.22 -0.34 0.00 0.00 178.44 179.50 3dow h TYR 97 N 0.86 0.10 -0.78 1.25 5.03 -0.96 0.91 116.97 123.39 3dow h TYR 97 Ca 0.16 -0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.55 3dow h TYR 97 Cb 0.54 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 38.72 3dow h TYR 97 CO 0.04 0.36 0.41 0.37 -1.32 0.00 0.00 178.16 178.02 3dow h GLN 98 N -0.19 0.66 0.00 1.82 4.15 -1.18 0.10 115.11 120.46 3dow h GLN 98 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3dow h GLN 98 Cb 0.32 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3dow h GLN 98 CO 0.00 0.43 -0.76 1.49 -1.93 0.00 0.00 178.83 178.07 3dow h GLU 99 N 0.68 0.00 0.00 1.69 4.81 -1.00 -3.39 114.58 117.36 3dow h GLU 99 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3dow h GLU 99 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3dow h GLU 99 CO -0.28 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 178.72 3dow n HIS 100 N -2.76 0.00 -2.11 0.92 8.25 0.30 -5.07 115.22 114.75 3dow n HIS 100 Ca 0.01 -0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 3dow n HIS 100 Cb 0.54 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.63 3dow n HIS 100 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3dow s HIS 101 N -0.11 3.05 0.79 4.41 -3.43 0.00 -4.66 115.29 115.34 3dow s HIS 101 Ca 0.00 1.39 -0.11 0.00 -0.80 0.00 0.00 55.06 55.54 3dow s HIS 101 Cb 0.00 -3.69 0.06 0.00 -1.43 0.00 0.00 32.58 27.53 3dow s HIS 101 CO 0.00 -1.90 1.09 -2.00 -2.00 0.00 0.00 174.74 169.94 3dow s GLU 102 N -1.70 2.16 -0.04 -0.38 2.12 -0.06 -4.93 118.70 115.87 3dow s GLU 102 Ca 0.49 0.69 0.04 0.00 0.36 0.00 0.00 54.97 56.56 3dow s GLU 102 Cb -0.40 -1.92 0.19 0.00 0.26 0.00 0.00 34.13 32.26 3dow s GLU 102 CO 0.52 -1.58 0.92 0.39 -0.54 0.00 0.00 175.26 174.98 3dow n GLU 103 N -3.41 1.80 -0.23 4.30 -0.58 -1.26 -1.24 120.64 120.02 3dow n GLU 103 Ca 0.07 -0.75 0.10 0.00 -0.42 0.00 0.00 57.16 56.16 3dow n GLU 103 Cb 0.56 -1.51 0.26 0.00 -0.57 0.00 0.00 31.44 30.18 3dow n GLU 103 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3dow n ASP 104 N 0.12 2.92 -0.10 1.62 5.68 -1.26 -4.84 116.55 120.69 3dow n ASP 104 Ca 0.07 -1.95 -0.01 0.00 -0.50 0.00 0.00 54.79 52.40 3dow n ASP 104 Cb 0.38 -0.30 -0.01 0.00 -1.14 0.00 0.00 41.12 40.06 3dow n ASP 104 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3dow n PHE 105 N 1.11 0.00 -4.04 2.11 3.72 -0.37 -3.99 117.46 116.00 3dow n PHE 105 Ca 0.19 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.29 3dow n PHE 105 Cb 0.49 -0.87 -0.06 0.00 -0.94 0.00 0.00 39.48 38.10 3dow n PHE 105 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3dow s PHE 106 N -1.74 3.23 -0.17 1.38 0.08 -1.24 -4.69 117.98 114.82 3dow s PHE 106 Ca 0.00 0.09 -0.09 0.00 0.12 0.00 0.00 56.93 57.05 3dow s PHE 106 Cb 0.00 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.78 3dow s PHE 106 CO 0.00 0.53 0.12 -1.17 -0.10 0.00 0.00 175.22 174.60 3dow s LEU 107 N -2.49 4.17 -0.22 -0.37 2.96 -0.65 -0.88 118.68 121.19 3dow s LEU 107 Ca 0.30 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.44 3dow s LEU 107 Cb -0.12 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 3dow s LEU 107 CO 0.23 0.24 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.15 3dow s TYR 108 N -0.03 2.95 -0.14 5.38 1.51 -1.26 -0.60 117.35 125.17 3dow s TYR 108 Ca 0.09 -0.95 0.01 0.00 -1.01 0.00 0.00 57.07 55.21 3dow s TYR 108 Cb -0.11 -2.10 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 3dow s TYR 108 CO -0.00 -0.55 -0.16 0.42 -1.11 0.00 0.00 175.55 174.15 3dow s ILE 109 N 1.46 1.68 0.04 2.71 1.01 -0.24 -4.52 121.20 123.34 3dow s ILE 109 Ca 0.06 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 3dow s ILE 109 Cb -0.14 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 3dow s ILE 109 CO -0.03 0.48 0.36 0.00 0.00 0.00 0.00 174.94 175.74 3dow s ALA 110 N 1.24 3.75 0.11 9.38 0.00 -0.65 -2.00 121.76 133.60 3dow s ALA 110 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 51.96 51.67 3dow s ALA 110 Cb -0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3dow s ALA 110 CO -0.07 0.57 -0.26 1.52 0.00 0.00 0.00 175.76 177.51 3dow s TYR 111 N -1.29 2.26 0.17 0.00 -0.85 -0.51 -0.57 117.35 116.56 3dow s TYR 111 Ca 0.29 -0.39 -0.11 0.00 -0.52 0.00 0.00 57.07 56.34 3dow s TYR 111 Cb -0.14 -1.25 -0.00 0.00 0.38 0.00 0.00 41.96 40.95 3dow s TYR 111 CO 0.16 0.29 0.33 0.45 -1.52 0.00 0.00 175.55 175.26 3dow s SER 112 N -1.90 -0.02 0.00 -0.18 0.15 -0.58 -1.04 113.70 110.12 3dow s SER 112 Ca 0.13 -0.78 0.26 0.00 0.70 0.00 0.00 55.95 56.26 3dow s SER 112 Cb -0.10 0.46 0.68 0.00 -1.71 0.00 0.00 66.02 65.36 3dow s SER 112 CO 0.05 -0.92 1.52 -0.90 1.20 0.00 0.00 173.24 174.19 3dow n ASP 113 N -0.24 1.39 -4.63 5.45 5.75 -1.25 -0.58 116.55 122.44 3dow n ASP 113 Ca -0.08 -1.18 -0.30 0.00 -0.01 0.00 0.00 54.79 53.21 3dow n ASP 113 Cb 0.63 0.15 -0.09 0.00 -1.03 0.00 0.00 41.12 40.77 3dow n ASP 113 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3dow s GLU 114 N -2.35 2.35 0.00 0.11 2.56 -1.26 -4.27 118.70 115.84 3dow s GLU 114 Ca 0.27 -0.92 0.24 0.00 0.00 0.00 0.00 54.97 54.56 3dow s GLU 114 Cb 0.20 -2.43 1.27 0.00 2.00 0.00 0.00 34.13 35.17 3dow s GLU 114 CO 0.47 0.53 1.84 -1.13 -0.56 0.00 0.00 175.26 176.41 3dow n SER 115 N 0.67 0.47 -4.10 -1.70 3.41 -1.26 -4.67 113.62 106.44 3dow n SER 115 Ca -0.12 -1.36 -0.26 0.00 -0.26 0.00 0.00 58.87 56.87 3dow n SER 115 Cb 0.52 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.29 3dow n SER 115 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dow s VAL 116 N -1.96 1.38 0.09 -3.33 1.01 -1.26 -4.95 120.40 111.37 3dow s VAL 116 Ca 0.36 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 3dow s VAL 116 Cb 0.17 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 35.26 3dow s VAL 116 CO 0.28 0.40 1.57 -0.47 0.00 0.00 0.00 175.10 176.89 3dow s TYR 117 N 0.35 2.73 -0.13 5.22 5.04 -1.26 -2.86 117.35 126.44 3dow s TYR 117 Ca -0.11 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 3dow s TYR 117 Cb -0.14 -3.88 0.00 0.00 0.35 0.00 0.00 41.96 38.29 3dow s TYR 117 CO 0.04 -3.40 0.00 0.41 -1.34 0.00 0.00 175.55 171.26 3dow n GLY 118 N 3.83 0.51 0.60 8.97 0.00 -1.26 -4.73 105.19 113.11 3dow n GLY 118 Ca 0.14 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.91 3dow n GLY 118 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22