#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7n s SER 2 N 0.00 5.98 -0.04 1.61 1.04 -1.26 -5.03 113.70 116.01 2e7n s SER 2 Ca 0.00 0.31 -0.25 0.00 0.48 0.00 0.00 55.95 56.49 2e7n s SER 2 Cb 0.00 -1.84 -0.22 0.00 0.10 0.00 0.00 66.02 64.07 2e7n s SER 2 CO 0.00 0.35 1.11 -1.28 0.98 0.00 0.00 173.24 174.40 2e7n h SER 3 N 4.68 0.13 -2.08 7.02 0.87 -2.09 -3.49 113.55 118.59 2e7n h SER 3 Ca -0.52 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.37 2e7n h SER 3 Cb 1.21 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2e7n h SER 3 CO 0.60 0.79 0.00 0.61 -0.53 0.00 0.00 176.83 178.29 2e7n n GLY 4 N 0.75 4.83 3.29 5.77 0.00 -1.26 -5.18 105.19 113.39 2e7n n GLY 4 Ca -0.09 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 2e7n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e7n s SER 5 N 0.00 -0.07 -0.03 1.61 1.04 -1.26 -5.07 113.70 109.92 2e7n s SER 5 Ca 0.00 -0.52 -0.25 0.00 0.48 0.00 0.00 55.95 55.67 2e7n s SER 5 Cb 0.00 0.43 -0.20 0.00 0.10 0.00 0.00 66.02 66.34 2e7n s SER 5 CO 0.00 -0.82 1.17 -1.28 0.98 0.00 0.00 173.24 173.28 2e7n h SER 6 N 2.52 0.15 0.00 7.02 0.87 -2.02 -3.49 113.55 118.59 2e7n h SER 6 Ca -0.33 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 59.61 2e7n h SER 6 Cb 1.23 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2e7n h SER 6 CO 0.50 0.74 0.00 0.61 -0.53 0.00 0.00 176.83 178.15 2e7n n GLY 7 N 0.59 1.12 7.00 5.77 0.00 -1.26 -5.04 105.19 113.37 2e7n n GLY 7 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2e7n n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7n n GLY 8 N 0.00 2.05 3.96 -0.02 0.00 -1.26 -4.67 105.19 105.24 2e7n n GLY 8 Ca 0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 2e7n n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e7n s LYS 9 N 0.00 1.68 0.05 1.61 -0.14 -1.26 -4.97 119.74 116.71 2e7n s LYS 9 Ca 0.00 -0.66 -0.37 0.00 -1.36 0.00 0.00 55.97 53.58 2e7n s LYS 9 Cb 0.00 -2.18 -0.19 0.00 -1.68 0.00 0.00 37.83 33.78 2e7n s LYS 9 CO 0.00 -1.54 0.99 1.28 -0.76 0.00 0.00 175.35 175.32 2e7n n LEU 10 N -3.03 -0.04 -4.89 3.17 4.77 -1.26 -4.92 117.00 110.79 2e7n n LEU 10 Ca 0.12 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.96 2e7n n LEU 10 Cb 0.60 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 2e7n n LEU 10 CO 0.46 -2.02 0.41 -0.44 -1.33 0.00 0.00 177.39 174.47 2e7n s SER 11 N -0.15 6.45 0.57 -1.43 0.01 -1.26 -4.78 113.70 113.10 2e7n s SER 11 Ca 0.85 1.02 0.43 0.00 1.31 0.00 0.00 55.95 59.56 2e7n s SER 11 Cb -1.16 -2.28 1.54 0.00 0.21 0.00 0.00 66.02 64.33 2e7n s SER 11 CO 0.56 -0.41 1.57 1.05 0.41 0.00 0.00 173.24 176.41 2e7n h GLU 12 N 1.07 0.00 0.00 12.44 4.11 -2.01 -0.05 114.58 130.14 2e7n h GLU 12 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2e7n h GLU 12 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2e7n h GLU 12 CO 0.64 0.00 -0.14 0.45 0.07 0.00 0.00 179.01 180.02 2e7n h HIS 13 N 0.00 0.00 -0.81 2.06 3.86 -2.00 -3.38 115.15 114.87 2e7n h HIS 13 Ca 0.77 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 60.12 2e7n h HIS 13 Cb 3.29 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 31.61 2e7n h HIS 13 CO 0.00 0.00 -0.34 -0.07 0.86 0.00 0.00 177.93 178.38 2e7n h LEU 14 N -0.86 -1.22 -0.79 2.43 3.38 -1.43 0.34 115.31 117.16 2e7n h LEU 14 Ca 0.00 0.27 0.33 0.00 0.09 0.00 0.00 57.88 58.57 2e7n h LEU 14 Cb 0.14 0.65 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 2e7n h LEU 14 CO 0.00 -0.29 0.43 0.54 0.09 0.00 0.00 178.44 179.20 2e7n n ARG 15 N -5.47 -0.05 -0.04 1.13 1.74 -0.37 0.46 116.66 114.05 2e7n n ARG 15 Ca 0.08 1.07 -0.10 0.00 -0.77 0.00 0.00 57.85 58.13 2e7n n ARG 15 Cb 0.39 -1.93 -0.09 0.00 -1.02 0.00 0.00 32.46 29.80 2e7n n ARG 15 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2e7n h TYR 16 N 0.00 -0.03 -0.88 -1.55 5.03 -0.52 -3.28 116.97 115.74 2e7n h TYR 16 Ca 0.66 -0.00 0.26 0.00 2.58 0.00 0.00 58.73 62.23 2e7n h TYR 16 Cb 1.76 0.01 -0.04 0.00 1.55 0.00 0.00 36.73 40.02 2e7n h TYR 16 CO -0.01 0.64 0.74 0.00 -1.32 0.00 0.00 178.16 178.21 2e7n h ASP 18 N 0.00 0.16 -0.79 0.00 1.82 -0.90 -2.78 116.42 113.92 2e7n h ASP 18 Ca 0.42 -0.06 0.10 0.00 -0.39 0.00 0.00 57.03 57.10 2e7n h ASP 18 Cb 1.89 -0.04 -0.08 0.00 0.68 0.00 0.00 39.33 41.78 2e7n h ASP 18 CO -0.00 0.17 0.43 0.77 -1.61 0.00 0.00 179.24 179.00 2e7n h SER 19 N 0.13 0.58 -0.90 2.28 4.64 -0.94 -0.14 113.55 119.21 2e7n h SER 19 Ca 0.05 0.06 0.22 0.00 -0.47 0.00 0.00 61.79 61.65 2e7n h SER 19 Cb 0.05 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 2e7n h SER 19 CO -0.01 0.32 0.61 0.40 -0.87 0.00 0.00 176.83 177.28 2e7n h ILE 20 N 0.70 0.63 -0.49 0.95 2.04 -1.46 0.21 117.51 120.10 2e7n h ILE 20 Ca 0.40 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 66.08 2e7n h ILE 20 Cb 0.42 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2e7n h ILE 20 CO -0.27 0.05 -0.06 0.25 0.00 0.00 0.00 178.15 178.12 2e7n h LEU 21 N 0.26 0.84 0.36 1.44 5.85 -0.99 -2.66 115.31 120.41 2e7n h LEU 21 Ca 0.46 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2e7n h LEU 21 Cb 1.36 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2e7n h LEU 21 CO -0.13 0.93 -0.17 0.03 -0.34 0.00 0.00 178.44 178.77 2e7n h ARG 22 N 0.78 -0.46 -0.89 1.25 3.08 -0.60 -3.05 114.38 114.49 2e7n h ARG 22 Ca 0.14 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.46 2e7n h ARG 22 Cb 0.55 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.55 2e7n h ARG 22 CO 0.03 -0.20 0.13 1.49 -1.07 0.00 0.00 179.97 180.35 2e7n h GLU 23 N -1.05 0.11 -0.22 0.04 4.57 -1.36 1.15 114.58 117.83 2e7n h GLU 23 Ca -0.05 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2e7n h GLU 23 Cb 0.47 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2e7n h GLU 23 CO 0.08 0.07 0.12 0.52 -1.18 0.00 0.00 179.01 178.62 2e7n h MET 24 N 0.11 0.29 -1.00 1.92 2.86 -1.53 -1.47 114.93 116.12 2e7n h MET 24 Ca 0.55 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 58.05 2e7n h MET 24 Cb 1.10 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.63 2e7n h MET 24 CO -0.75 0.22 0.14 1.28 1.06 0.00 0.00 176.91 178.87 2e7n n LEU 25 N -4.48 3.79 -4.91 1.22 4.77 0.40 -4.43 117.00 113.36 2e7n n LEU 25 Ca 0.00 -1.94 -0.28 0.00 -0.03 0.00 0.00 56.01 53.76 2e7n n LEU 25 Cb 0.10 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.58 2e7n n LEU 25 CO 0.35 0.61 0.25 -0.55 -1.33 0.00 0.00 177.39 176.72 2e7n s SER 26 N 0.45 6.42 0.13 -1.43 0.15 -0.56 -4.93 113.70 113.95 2e7n s SER 26 Ca 0.13 0.75 -0.20 0.00 0.70 0.00 0.00 55.95 57.33 2e7n s SER 26 Cb 0.11 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 62.25 2e7n s SER 26 CO 0.03 -0.26 1.69 0.11 1.20 0.00 0.00 173.24 176.01 2e7n h LYS 27 N 1.42 -0.05 -0.32 5.44 6.56 -1.90 0.37 116.57 128.10 2e7n h LYS 27 Ca -0.48 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.16 2e7n h LYS 27 Cb 1.19 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.79 2e7n h LYS 27 CO 0.65 -0.03 -0.50 -0.22 -2.06 0.00 0.00 179.45 177.29 2e7n h LYS 28 N -0.05 -0.37 -0.60 3.15 3.64 -1.94 -0.89 116.57 119.50 2e7n h LYS 28 Ca 0.11 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2e7n h LYS 28 Cb 0.21 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2e7n h LYS 28 CO -0.24 -0.25 0.19 0.45 -2.27 0.00 0.00 179.45 177.33 2e7n h HIS 29 N -0.39 0.93 -0.69 1.91 3.86 -1.80 -3.01 115.15 115.97 2e7n h HIS 29 Ca 0.06 -0.08 0.24 0.00 -1.16 0.00 0.00 60.37 59.44 2e7n h HIS 29 Cb 0.55 -0.28 -0.13 0.00 1.06 0.00 0.00 27.41 28.61 2e7n h HIS 29 CO -0.69 0.75 0.21 0.00 0.86 0.00 0.00 177.93 179.06 2e7n n ALA 30 N -2.45 0.55 -0.28 2.45 0.00 0.13 0.12 120.51 121.02 2e7n n ALA 30 Ca 0.05 0.72 0.02 0.00 0.00 0.00 0.00 53.44 54.23 2e7n n ALA 30 Cb 0.21 -0.63 0.10 0.00 0.00 0.00 0.00 19.45 19.13 2e7n n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e7n h ALA 31 N 1.37 0.53 -0.15 0.00 0.00 -1.48 0.15 119.26 119.68 2e7n h ALA 31 Ca 0.51 0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.67 2e7n h ALA 31 Cb 1.23 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 2e7n h ALA 31 CO -0.58 -0.41 -0.18 2.48 0.00 0.00 0.00 179.25 180.56 2e7n n TYR 32 N -5.51 0.47 -0.21 0.00 0.18 0.31 -4.50 117.16 107.90 2e7n n TYR 32 Ca 0.11 -1.32 0.00 0.00 1.88 0.00 0.00 57.90 58.58 2e7n n TYR 32 Cb 0.40 -0.31 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 2e7n n TYR 32 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2e7n n ALA 33 N -1.11 1.18 0.11 -3.48 0.00 0.36 -4.18 120.51 113.40 2e7n n ALA 33 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 2e7n n ALA 33 Cb 0.81 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.32 2e7n n ALA 33 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2e7n h TRP 34 N 0.00 0.04 0.00 0.00 5.08 -1.00 -3.14 115.95 116.93 2e7n h TRP 34 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.95 2e7n h TRP 34 Cb 0.11 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.26 2e7n h TRP 34 CO 0.00 0.78 0.57 -1.35 -1.28 0.00 0.00 178.44 177.15 2e7n h PRO 35 N 0.02 0.00 0.00 0.12 0.11 -1.85 0.40 132.00 130.79 2e7n h PRO 35 Ca -0.01 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.80 2e7n h PRO 35 Cb 1.34 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.40 2e7n h PRO 35 CO 0.10 0.00 -2.12 1.19 -0.21 0.00 0.00 178.00 176.96 2e7n n PHE 36 N -2.57 0.00 -0.23 0.65 3.01 -1.19 -4.64 117.46 112.49 2e7n n PHE 36 Ca -0.01 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.39 2e7n n PHE 36 Cb 0.59 -0.80 -0.05 0.00 -0.01 0.00 0.00 39.48 39.20 2e7n n PHE 36 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2e7n n TYR 37 N -2.66 -0.24 -2.68 1.38 4.02 0.14 -4.26 117.16 112.87 2e7n n TYR 37 Ca -0.28 0.67 -0.39 0.00 -0.01 0.00 0.00 57.90 57.90 2e7n n TYR 37 Cb 1.02 -0.51 -0.06 0.00 -0.02 0.00 0.00 39.34 39.77 2e7n n TYR 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2e7n s LYS 38 N -4.69 4.66 1.04 -0.72 1.02 -1.24 -4.66 119.74 115.14 2e7n s LYS 38 Ca -0.06 1.51 -0.17 0.00 0.02 0.00 0.00 55.97 57.26 2e7n s LYS 38 Cb 0.06 -3.04 0.26 0.00 -0.52 0.00 0.00 37.83 34.59 2e7n s LYS 38 CO 0.33 0.31 0.92 -0.35 -0.92 0.00 0.00 175.35 175.65 2e7n n PRO 39 N 0.98 -2.83 -3.87 -1.68 -0.04 -1.26 -5.01 135.00 121.28 2e7n n PRO 39 Ca 0.00 -1.48 -0.28 0.00 -0.04 0.00 0.00 63.50 61.70 2e7n n PRO 39 Cb 0.48 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 2e7n n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2e7n s VAL 40 N -2.67 2.69 -0.28 0.52 1.01 -1.26 -5.07 120.40 115.34 2e7n s VAL 40 Ca 0.60 -4.04 -0.28 0.00 0.00 0.00 0.00 61.98 58.26 2e7n s VAL 40 Cb -0.06 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2e7n s VAL 40 CO 0.46 -0.99 0.99 -0.62 0.00 0.00 0.00 175.10 174.94 2e7n s ASP 41 N -1.20 6.94 -0.05 3.32 -1.08 -1.26 -4.93 116.67 118.41 2e7n s ASP 41 Ca 0.24 1.10 -0.22 0.00 -0.52 0.00 0.00 52.55 53.15 2e7n s ASP 41 Cb -0.07 -2.51 -0.30 0.00 -1.46 0.00 0.00 42.92 38.58 2e7n s ASP 41 CO -0.14 -0.73 0.91 0.00 0.52 0.00 0.00 175.17 175.73 2e7n h ALA 42 N 7.83 -0.06 0.40 3.66 0.00 -1.86 -2.58 119.26 126.65 2e7n h ALA 42 Ca -0.21 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.02 2e7n h ALA 42 Cb 1.07 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2e7n h ALA 42 CO 0.98 0.34 -0.19 0.93 0.00 0.00 0.00 179.25 181.31 2e7n h GLU 43 N -0.39 -0.52 0.27 0.00 4.39 -1.92 -3.20 114.58 113.22 2e7n h GLU 43 Ca -0.12 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2e7n h GLU 43 Cb 1.55 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 30.31 2e7n h GLU 43 CO 0.14 -0.31 -0.16 0.00 -1.16 0.00 0.00 179.01 177.52 2e7n h ALA 44 N -0.02 -0.40 -2.25 3.43 0.00 -1.96 -3.44 119.26 114.62 2e7n h ALA 44 Ca -0.05 -0.08 -0.45 0.00 0.00 0.00 0.00 54.91 54.33 2e7n h ALA 44 Cb 0.45 0.20 0.14 0.00 0.00 0.00 0.00 17.79 18.58 2e7n h ALA 44 CO 0.09 -0.73 0.37 -0.51 0.00 0.00 0.00 179.25 178.47 2e7n s LEU 45 N -10.16 2.35 -0.35 0.00 1.43 -0.97 -4.94 118.68 106.04 2e7n s LEU 45 Ca -0.15 0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2e7n s LEU 45 Cb 0.05 -2.71 0.19 0.00 0.03 0.00 0.00 46.19 43.75 2e7n s LEU 45 CO 0.64 -2.63 2.18 -0.62 0.23 0.00 0.00 176.35 176.16 2e7n n GLU 46 N -3.75 1.95 -3.59 1.70 -0.58 -1.26 -4.77 120.64 110.34 2e7n n GLU 46 Ca 0.12 -1.78 -0.40 0.00 -0.42 0.00 0.00 57.16 54.68 2e7n n GLU 46 Cb 0.60 -1.75 -0.09 0.00 -0.57 0.00 0.00 31.44 29.63 2e7n n GLU 46 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2e7n s LEU 47 N -1.95 5.63 -0.12 -4.62 1.43 -1.23 -4.91 118.68 112.92 2e7n s LEU 47 Ca 0.38 -1.99 -0.15 0.00 -1.03 0.00 0.00 54.13 51.35 2e7n s LEU 47 Cb 0.28 -1.98 -0.26 0.00 0.03 0.00 0.00 46.19 44.26 2e7n s LEU 47 CO -0.05 -0.66 0.49 -0.74 0.23 0.00 0.00 176.35 175.62 2e7n h HIS 48 N 8.32 0.40 -0.77 0.29 2.76 -1.88 -3.37 115.15 120.91 2e7n h HIS 48 Ca -0.18 -0.30 -0.42 0.00 -2.20 0.00 0.00 60.37 57.28 2e7n h HIS 48 Cb 1.06 -0.02 -0.16 0.00 1.55 0.00 0.00 27.41 29.85 2e7n h HIS 48 CO 0.63 1.59 0.38 -3.47 -1.30 0.00 0.00 177.93 175.77 2e7n n ASP 49 N -3.90 6.45 -0.03 3.26 -0.08 -1.26 -4.51 116.55 116.49 2e7n n ASP 49 Ca -0.27 -3.13 -0.01 0.00 -1.51 0.00 0.00 54.79 49.87 2e7n n ASP 49 Cb 0.90 -1.16 -0.00 0.00 2.34 0.00 0.00 41.12 43.20 2e7n n ASP 49 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 2e7n h TYR 50 N 2.32 0.00 -0.50 -0.67 3.20 -1.96 -3.34 116.97 116.01 2e7n h TYR 50 Ca 0.34 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.28 2e7n h TYR 50 Cb 0.83 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.05 2e7n h TYR 50 CO 1.19 0.00 0.20 0.45 -1.64 0.00 0.00 178.16 178.36 2e7n h HIS 51 N -0.45 0.36 -0.99 -3.82 3.86 -1.79 0.19 115.15 112.50 2e7n h HIS 51 Ca 0.00 0.02 0.19 0.00 -1.16 0.00 0.00 60.37 59.43 2e7n h HIS 51 Cb 0.06 -0.09 -0.19 0.00 1.06 0.00 0.00 27.41 28.26 2e7n h HIS 51 CO -0.03 0.14 -0.26 -0.25 0.86 0.00 0.00 177.93 178.39 2e7n n ASP 52 N -4.97 -0.39 0.06 2.45 8.00 -1.26 -0.83 116.55 119.61 2e7n n ASP 52 Ca 0.05 1.71 -0.21 0.00 0.71 0.00 0.00 54.79 57.06 2e7n n ASP 52 Cb 0.18 -0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 40.63 2e7n n ASP 52 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2e7n h ILE 53 N 0.00 1.47 -3.59 0.53 2.04 -1.56 -3.43 117.51 112.97 2e7n h ILE 53 Ca 0.46 -2.53 -0.70 0.00 1.00 0.00 0.00 64.86 63.09 2e7n h ILE 53 Cb 0.71 3.12 -0.22 0.00 -0.74 0.00 0.00 36.82 39.69 2e7n h ILE 53 CO -1.02 0.72 -0.48 -0.63 0.00 0.00 0.00 178.15 176.75 2e7n s ILE 54 N -2.53 5.01 -0.16 -0.67 -1.09 0.01 -4.90 121.20 116.87 2e7n s ILE 54 Ca -0.13 -0.59 -0.26 0.00 -2.23 0.00 0.00 60.65 57.44 2e7n s ILE 54 Cb 0.02 -3.72 -0.23 0.00 -1.58 0.00 0.00 42.46 36.95 2e7n s ILE 54 CO 0.85 -0.18 0.58 0.11 -1.23 0.00 0.00 174.94 175.07 2e7n h LYS 55 N 8.52 0.00 -3.22 2.79 1.79 -1.83 -3.37 116.57 121.25 2e7n h LYS 55 Ca -0.28 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.56 2e7n h LYS 55 Cb 1.13 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.36 2e7n h LYS 55 CO 0.68 0.96 -0.59 -3.38 -1.08 0.00 0.00 179.45 176.04 2e7n s HIS 56 N -2.24 3.41 0.25 -1.35 -3.43 -1.26 -5.08 115.29 105.58 2e7n s HIS 56 Ca -0.21 -3.26 -0.30 0.00 -0.80 0.00 0.00 55.06 50.49 2e7n s HIS 56 Cb -0.00 -2.77 -0.09 0.00 -1.43 0.00 0.00 32.58 28.28 2e7n s HIS 56 CO 0.64 -0.63 1.27 -1.25 -2.00 0.00 0.00 174.74 172.77 2e7n s PRO 57 N -0.94 4.42 0.04 -0.38 0.04 -1.26 -4.91 135.00 132.01 2e7n s PRO 57 Ca 0.21 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.31 2e7n s PRO 57 Cb -0.14 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 2e7n s PRO 57 CO -0.09 -0.16 -0.06 1.41 0.04 0.00 0.00 177.00 178.15 2e7n s MET 58 N -0.77 0.48 0.31 4.56 1.75 -1.26 -5.06 119.30 119.32 2e7n s MET 58 Ca 0.53 -0.79 -0.05 0.00 -1.25 0.00 0.00 55.69 54.12 2e7n s MET 58 Cb -0.36 -0.10 -0.00 0.00 2.84 0.00 0.00 34.83 37.21 2e7n s MET 58 CO 0.42 -0.00 0.46 0.16 -0.65 0.00 0.00 175.02 175.41 2e7n s ASP 59 N -1.78 0.58 0.02 1.11 -4.77 -1.26 -4.64 116.67 105.94 2e7n s ASP 59 Ca -0.09 -1.33 -0.23 0.00 -3.30 0.00 0.00 52.55 47.60 2e7n s ASP 59 Cb -0.07 0.63 -0.16 0.00 -1.09 0.00 0.00 42.92 42.23 2e7n s ASP 59 CO -0.01 -1.24 1.36 -0.07 0.70 0.00 0.00 175.17 175.91 2e7n h LEU 60 N 2.18 0.21 -0.75 2.11 3.38 -1.89 -3.09 115.31 117.46 2e7n h LEU 60 Ca -0.28 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.34 2e7n h LEU 60 Cb 1.24 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.83 2e7n h LEU 60 CO 0.39 0.59 -0.55 -1.28 0.09 0.00 0.00 178.44 177.68 2e7n h SER 61 N -0.18 -1.94 0.13 -0.43 0.87 -1.86 0.39 113.55 110.53 2e7n h SER 61 Ca 0.02 0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.88 2e7n h SER 61 Cb 0.52 0.85 -0.03 0.00 -0.44 0.00 0.00 62.40 63.29 2e7n h SER 61 CO 0.02 -0.31 -0.39 0.74 -0.53 0.00 0.00 176.83 176.36 2e7n h THR 62 N -0.16 0.00 -0.98 2.23 2.02 -1.98 -0.82 112.91 113.21 2e7n h THR 62 Ca 0.14 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.65 2e7n h THR 62 Cb 0.50 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.76 2e7n h THR 62 CO -0.80 0.00 0.46 0.58 0.37 0.00 0.00 175.52 176.13 2e7n h VAL 63 N -0.59 0.20 -0.59 3.16 2.07 -1.29 0.80 116.25 120.02 2e7n h VAL 63 Ca -0.01 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2e7n h VAL 63 Cb 0.57 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2e7n h VAL 63 CO -0.19 0.04 0.08 0.50 0.02 0.00 0.00 177.57 178.01 2e7n h LYS 64 N 0.19 0.99 -0.10 1.57 3.64 0.02 0.33 116.57 123.21 2e7n h LYS 64 Ca 0.72 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 2e7n h LYS 64 Cb 1.69 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.40 2e7n h LYS 64 CO -0.69 0.95 -0.07 0.00 -2.27 0.00 0.00 179.45 177.37 2e7n h ARG 65 N 0.89 0.23 -0.15 1.90 -0.00 0.18 -0.89 114.38 116.54 2e7n h ARG 65 Ca 0.18 -0.11 -0.10 0.00 -0.50 0.00 0.00 59.98 59.45 2e7n h ARG 65 Cb 0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.40 2e7n h ARG 65 CO 0.02 0.62 -0.33 1.57 0.00 0.00 0.00 179.97 181.84 2e7n h LYS 66 N -0.15 0.31 -0.16 0.04 2.10 -0.56 -2.71 116.57 115.45 2e7n h LYS 66 Ca 0.02 -0.13 -0.08 0.00 -2.00 0.00 0.00 60.65 58.47 2e7n h LYS 66 Cb 0.56 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2e7n h LYS 66 CO 0.02 0.61 -0.20 1.98 -2.00 0.00 0.00 179.45 179.86 2e7n h MET 67 N 0.27 0.42 -0.83 0.07 4.05 -0.29 0.68 114.93 119.28 2e7n h MET 67 Ca 0.03 -0.24 0.05 0.00 -0.28 0.00 0.00 59.70 59.27 2e7n h MET 67 Cb 0.72 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.49 2e7n h MET 67 CO 0.05 0.81 0.55 0.22 0.23 0.00 0.00 176.91 178.77 2e7n h ASP 68 N 0.05 0.86 -0.40 1.39 3.58 -1.08 -1.22 116.42 119.60 2e7n h ASP 68 Ca 0.02 -0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 2e7n h ASP 68 Cb 0.76 -0.19 -0.12 0.00 1.72 0.00 0.00 39.33 41.50 2e7n h ASP 68 CO 0.05 0.57 0.25 0.61 -2.88 0.00 0.00 179.24 177.84 2e7n n GLY 69 N -1.41 2.96 4.04 -0.78 0.00 -1.03 -4.87 105.19 104.11 2e7n n GLY 69 Ca 0.12 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2e7n n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e7n n ARG 70 N -0.15 -0.90 0.05 1.61 3.00 -0.46 -4.78 116.66 115.03 2e7n n ARG 70 Ca 0.24 0.09 -0.04 0.00 -0.01 0.00 0.00 57.85 58.12 2e7n n ARG 70 Cb 0.96 -3.28 -0.09 0.00 0.00 0.00 0.00 32.46 30.05 2e7n n ARG 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2e7n h GLU 71 N -1.18 0.00 -6.65 5.56 5.08 -1.05 -3.46 114.58 112.88 2e7n h GLU 71 Ca -0.54 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.29 2e7n h GLU 71 Cb 1.18 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.47 2e7n h GLU 71 CO 0.64 0.67 0.77 0.71 -1.00 0.00 0.00 179.01 180.80 2e7n s TYR 72 N -2.77 3.12 0.08 4.33 2.02 -1.25 -4.94 117.35 117.95 2e7n s TYR 72 Ca -0.00 0.93 -0.16 0.00 -0.37 0.00 0.00 57.07 57.46 2e7n s TYR 72 Cb 0.09 -3.78 -0.10 0.00 -0.40 0.00 0.00 41.96 37.76 2e7n s TYR 72 CO 0.80 -2.69 1.40 -1.00 -1.57 0.00 0.00 175.55 172.50 2e7n h PRO 73 N 5.97 0.60 -2.70 -1.71 0.13 -1.96 -3.48 132.00 128.86 2e7n h PRO 73 Ca -0.44 -0.32 0.10 0.00 -0.87 0.00 0.00 66.00 64.47 2e7n h PRO 73 Cb 1.21 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2e7n h PRO 73 CO 0.83 0.91 0.41 0.16 -0.23 0.00 0.00 178.00 180.08 2e7n s ASP 74 N -6.42 -0.09 0.27 1.44 1.47 -1.26 -4.50 116.67 107.58 2e7n s ASP 74 Ca -0.13 -0.73 -0.00 0.00 1.18 0.00 0.00 52.55 52.87 2e7n s ASP 74 Cb 0.08 0.64 0.62 0.00 -0.34 0.00 0.00 42.92 43.91 2e7n s ASP 74 CO 0.81 -1.23 1.68 0.00 0.68 0.00 0.00 175.17 177.10 2e7n h ALA 75 N 2.00 1.20 -0.93 2.11 0.00 -1.93 0.19 119.26 121.91 2e7n h ALA 75 Ca -0.26 0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.00 2e7n h ALA 75 Cb 1.24 0.22 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2e7n h ALA 75 CO 0.32 -0.36 0.52 1.96 0.00 0.00 0.00 179.25 181.69 2e7n h GLN 76 N 0.31 0.66 -0.29 0.00 1.08 -1.99 -1.19 115.11 113.69 2e7n h GLN 76 Ca 0.50 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.61 2e7n h GLN 76 Cb 0.93 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 2e7n h GLN 76 CO -0.55 0.44 -0.02 0.78 -0.95 0.00 0.00 178.83 178.53 2e7n h GLY 77 N 0.68 0.57 0.74 3.46 0.00 -1.02 0.12 103.07 107.62 2e7n h GLY 77 Ca 0.53 -0.43 0.06 0.00 0.00 0.00 0.00 47.33 47.48 2e7n h GLY 77 CO -0.38 0.40 0.49 -2.75 0.00 0.00 0.00 176.54 174.30 2e7n h PHE 78 N 0.31 0.92 -0.04 5.60 3.57 -0.90 -2.35 116.94 124.05 2e7n h PHE 78 Ca 0.08 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 2e7n h PHE 78 Cb 0.47 -0.29 0.01 0.00 2.79 0.00 0.00 35.95 38.92 2e7n h PHE 78 CO 0.04 0.47 -0.32 0.00 -2.23 0.00 0.00 178.31 176.28 2e7n h ALA 79 N 1.38 0.09 -0.72 2.41 0.00 -1.22 -3.04 119.26 118.16 2e7n h ALA 79 Ca 0.35 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.94 2e7n h ALA 79 Cb 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 2e7n h ALA 79 CO -0.16 0.16 -0.19 0.00 0.00 0.00 0.00 179.25 179.06 2e7n h ALA 80 N 0.37 0.46 0.54 0.00 0.00 -0.49 -0.32 119.26 119.81 2e7n h ALA 80 Ca -0.03 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2e7n h ALA 80 Cb 1.00 0.56 0.01 0.00 0.00 0.00 0.00 17.79 19.36 2e7n h ALA 80 CO 0.06 -0.42 -0.26 -0.44 0.00 0.00 0.00 179.25 178.19 2e7n h ASP 81 N -0.01 -0.62 -0.94 0.00 3.32 -1.51 -2.94 116.42 113.73 2e7n h ASP 81 Ca 0.34 0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.60 2e7n h ASP 81 Cb 0.53 0.16 -0.18 0.00 0.22 0.00 0.00 39.33 40.06 2e7n h ASP 81 CO -0.75 -0.41 -0.25 0.52 -1.72 0.00 0.00 179.24 176.63 2e7n n VAL 82 N -4.14 -0.41 -0.23 -1.35 0.31 -0.95 0.98 118.33 112.54 2e7n n VAL 82 Ca -0.09 2.16 0.03 0.00 -0.01 0.00 0.00 64.34 66.44 2e7n n VAL 82 Cb 0.29 -2.98 0.15 0.00 -0.91 0.00 0.00 33.84 30.39 2e7n n VAL 82 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2e7n h ARG 83 N 0.00 0.31 0.26 5.55 3.08 -1.03 -1.99 114.38 120.55 2e7n h ARG 83 Ca 0.44 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 2e7n h ARG 83 Cb 0.67 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2e7n h ARG 83 CO -0.97 0.20 -0.13 1.25 -1.07 0.00 0.00 179.97 179.26 2e7n h LEU 84 N 0.32 -0.30 -0.98 3.04 6.46 0.80 -2.78 115.31 121.88 2e7n h LEU 84 Ca 0.37 -0.03 0.20 0.00 -0.12 0.00 0.00 57.88 58.29 2e7n h LEU 84 Cb 0.56 0.08 -0.19 0.00 -0.73 0.00 0.00 40.66 40.39 2e7n h LEU 84 CO -0.43 -0.17 -0.25 0.80 -0.62 0.00 0.00 178.44 177.78 2e7n n MET 85 N -5.22 -0.09 0.15 1.25 1.56 -0.69 0.23 117.12 114.31 2e7n n MET 85 Ca -0.10 1.52 0.03 0.00 -0.27 0.00 0.00 57.70 58.89 2e7n n MET 85 Cb 0.18 -2.28 0.43 0.00 2.15 0.00 0.00 33.22 33.70 2e7n n MET 85 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 2e7n h PHE 86 N 0.00 0.16 0.27 1.12 0.04 -1.33 -2.98 116.94 114.22 2e7n h PHE 86 Ca 0.47 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.21 2e7n h PHE 86 Cb 0.71 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.82 2e7n h PHE 86 CO -0.75 0.30 -0.13 1.03 -0.60 0.00 0.00 178.31 178.15 2e7n h SER 87 N 0.15 -0.31 -0.81 2.17 0.87 0.32 -2.87 113.55 113.08 2e7n h SER 87 Ca 0.03 -0.02 0.20 0.00 -1.23 0.00 0.00 61.79 60.77 2e7n h SER 87 Cb 0.35 0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 62.26 2e7n h SER 87 CO 0.02 -0.19 0.14 0.78 -0.53 0.00 0.00 176.83 177.05 2e7n h ASN 88 N -0.41 -0.13 0.00 6.23 4.21 -1.22 0.17 115.58 124.44 2e7n h ASN 88 Ca -0.04 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.66 2e7n h ASN 88 Cb 0.31 0.28 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 2e7n h ASN 88 CO 0.06 -0.14 0.00 0.00 -1.29 0.00 0.00 177.43 176.06 2e7n h TYR 90 N 0.00 0.96 -0.98 0.00 0.05 -1.54 0.37 116.97 115.84 2e7n h TYR 90 Ca 0.00 -0.02 0.23 0.00 0.05 0.00 0.00 58.73 58.99 2e7n h TYR 90 Cb 0.00 -0.31 -0.08 0.00 1.01 0.00 0.00 36.73 37.35 2e7n h TYR 90 CO -0.59 0.67 0.63 -0.22 -1.05 0.00 0.00 178.16 177.60 2e7n h LYS 91 N 0.96 0.44 0.00 4.88 3.11 0.04 -3.22 116.57 122.79 2e7n h LYS 91 Ca 0.25 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2e7n h LYS 91 Cb 0.02 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.15 2e7n h LYS 91 CO -0.04 0.29 -0.02 -0.92 -2.81 0.00 0.00 179.45 175.95 2e7n h TYR 92 N 0.45 0.00 -4.09 1.91 3.20 0.67 -3.48 116.97 115.63 2e7n h TYR 92 Ca 0.53 0.00 -0.47 0.00 3.14 0.00 0.00 58.73 61.94 2e7n h TYR 92 Cb 1.27 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.55 2e7n h TYR 92 CO -0.00 0.00 0.37 0.54 -1.64 0.00 0.00 178.16 177.43 2e7n s ASN 93 N -3.58 6.46 1.00 -2.11 2.20 0.07 -5.05 114.94 113.93 2e7n s ASN 93 Ca -0.01 1.82 -0.12 0.00 -0.94 0.00 0.00 52.86 53.61 2e7n s ASN 93 Cb 0.00 -2.55 0.19 0.00 -2.00 0.00 0.00 41.25 36.89 2e7n s ASN 93 CO 0.01 -0.70 1.09 -2.16 -2.94 0.00 0.00 177.10 172.40 2e7n s PRO 94 N -3.39 0.40 0.00 3.55 0.04 -1.26 -4.33 135.00 130.00 2e7n s PRO 94 Ca 0.65 0.51 0.14 0.00 0.04 0.00 0.00 61.00 62.34 2e7n s PRO 94 Cb -0.14 -1.73 0.65 0.00 0.04 0.00 0.00 34.50 33.31 2e7n s PRO 94 CO 0.21 -2.75 1.44 -0.35 0.04 0.00 0.00 177.00 175.59 2e7n n PRO 95 N -4.19 0.06 -0.00 0.56 -0.04 -1.26 -2.40 135.00 127.73 2e7n n PRO 95 Ca 0.05 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.65 2e7n n PRO 95 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2e7n n PRO 95 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2e7n h ASP 96 N 0.00 0.02 -1.57 3.54 3.32 -2.01 -3.47 116.42 116.26 2e7n h ASP 96 Ca 0.00 -0.04 -0.71 0.00 0.02 0.00 0.00 57.03 56.30 2e7n h ASP 96 Cb 0.21 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.77 2e7n h ASP 96 CO 0.00 1.03 1.01 1.57 -1.72 0.00 0.00 179.24 181.14 2e7n n HIS 97 N -3.13 2.06 -0.25 4.55 -0.00 -1.01 -4.83 115.22 112.62 2e7n n HIS 97 Ca -0.14 0.40 0.05 0.00 0.46 0.00 0.00 57.72 58.49 2e7n n HIS 97 Cb 1.03 -2.51 0.18 0.00 -0.12 0.00 0.00 29.99 28.57 2e7n n HIS 97 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 2e7n h GLU 98 N 8.25 0.29 -0.78 1.57 4.11 -1.90 0.31 114.58 126.44 2e7n h GLU 98 Ca -0.44 -0.02 0.23 0.00 0.07 0.00 0.00 59.36 59.20 2e7n h GLU 98 Cb 1.31 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2e7n h GLU 98 CO 0.97 0.19 0.77 -0.24 0.07 0.00 0.00 179.01 180.77 2e7n h VAL 99 N 0.30 0.26 -0.68 -1.06 3.04 -1.96 0.32 116.25 116.47 2e7n h VAL 99 Ca 0.41 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.08 2e7n h VAL 99 Cb 0.68 0.41 -0.03 0.00 -2.01 0.00 0.00 31.29 30.33 2e7n h VAL 99 CO -0.48 0.00 0.34 0.58 -1.01 0.00 0.00 177.57 177.00 2e7n h VAL 100 N 0.00 1.23 -0.21 1.51 2.07 -0.70 -1.62 116.25 118.54 2e7n h VAL 100 Ca 0.37 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 2e7n h VAL 100 Cb 1.90 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2e7n h VAL 100 CO -0.00 0.26 -0.28 0.00 0.02 0.00 0.00 177.57 177.56 2e7n h ALA 101 N 1.16 1.13 -0.38 1.67 0.00 -0.47 -2.92 119.26 119.46 2e7n h ALA 101 Ca 0.24 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2e7n h ALA 101 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2e7n h ALA 101 CO -0.03 0.55 -0.30 0.52 0.00 0.00 0.00 179.25 179.99 2e7n h MET 102 N 0.35 0.82 -0.32 0.00 2.86 -1.34 -3.14 114.93 114.17 2e7n h MET 102 Ca 0.05 -0.37 0.03 0.00 -2.06 0.00 0.00 59.70 57.35 2e7n h MET 102 Cb 0.68 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 2e7n h MET 102 CO 0.05 1.01 0.12 0.00 1.06 0.00 0.00 176.91 179.14 2e7n h ALA 103 N 0.97 0.37 -0.06 6.32 0.00 -1.11 -2.86 119.26 122.88 2e7n h ALA 103 Ca 0.08 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2e7n h ALA 103 Cb 0.84 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2e7n h ALA 103 CO 0.07 -0.28 -0.25 0.00 0.00 0.00 0.00 179.25 178.79 2e7n h ARG 104 N 0.26 -0.35 -0.74 0.00 3.08 -1.50 -2.39 114.38 112.74 2e7n h ARG 104 Ca 0.14 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.28 2e7n h ARG 104 Cb 0.10 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 2e7n h ARG 104 CO -0.14 -0.23 -0.44 1.63 -1.07 0.00 0.00 179.97 179.72 2e7n n LYS 105 N -5.37 -0.33 0.12 0.04 5.02 -1.08 -0.12 118.16 116.44 2e7n n LYS 105 Ca -0.04 1.15 -0.13 0.00 -2.02 0.00 0.00 58.31 57.27 2e7n n LYS 105 Cb 0.29 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 2e7n n LYS 105 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2e7n h LEU 106 N 0.00 -0.54 -0.80 -0.35 5.85 -1.51 -2.85 115.31 115.10 2e7n h LEU 106 Ca 0.12 0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.02 2e7n h LEU 106 Cb 0.30 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.40 2e7n h LEU 106 CO -0.70 -0.28 -0.40 -0.61 -0.34 0.00 0.00 178.44 176.11 2e7n h GLN 107 N -0.39 -0.09 -0.73 1.25 4.15 -0.01 0.94 115.11 120.22 2e7n h GLN 107 Ca 0.02 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.57 2e7n h GLN 107 Cb 0.39 0.02 -0.13 0.00 0.21 0.00 0.00 27.48 27.97 2e7n h GLN 107 CO -0.09 -0.06 -0.32 0.22 -1.93 0.00 0.00 178.83 176.66 2e7n h ASP 108 N -0.09 -1.12 -0.13 -0.69 3.58 -0.82 0.34 116.42 117.48 2e7n h ASP 108 Ca 0.27 0.25 0.03 0.00 0.42 0.00 0.00 57.03 57.99 2e7n h ASP 108 Cb 0.56 0.60 -0.03 0.00 1.72 0.00 0.00 39.33 42.18 2e7n h ASP 108 CO -0.84 -0.29 -0.04 0.58 -2.88 0.00 0.00 179.24 175.77 2e7n h VAL 109 N -0.09 0.85 -0.86 2.25 2.07 -0.81 -1.36 116.25 118.31 2e7n h VAL 109 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.87 2e7n h VAL 109 Cb 0.57 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2e7n h VAL 109 CO -0.78 0.00 0.56 0.15 0.02 0.00 0.00 177.57 177.52 2e7n h PHE 110 N -0.02 0.99 0.11 1.57 3.04 0.07 0.21 116.94 122.92 2e7n h PHE 110 Ca 0.06 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 2e7n h PHE 110 Cb 0.11 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.30 2e7n h PHE 110 CO -0.18 0.54 -0.05 0.93 -2.02 0.00 0.00 178.31 177.53 2e7n h GLU 111 N 0.99 -0.14 -0.39 1.11 5.08 0.25 -1.11 114.58 120.37 2e7n h GLU 111 Ca 0.36 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 2e7n h GLU 111 Cb 0.16 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2e7n h GLU 111 CO -0.12 0.05 -0.10 0.00 -1.00 0.00 0.00 179.01 177.83 2e7n h MET 112 N -0.31 0.67 -0.27 2.33 -0.00 -0.86 -2.79 114.93 113.70 2e7n h MET 112 Ca -0.02 -0.21 -0.01 0.00 -0.00 0.00 0.00 59.70 59.47 2e7n h MET 112 Cb 0.26 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 31.78 2e7n h MET 112 CO 0.03 0.76 0.13 0.00 -0.00 0.00 0.00 176.91 177.83 2e7n h ARG 113 N 0.62 0.39 -0.90 -0.10 2.47 -0.45 -2.00 114.38 114.40 2e7n h ARG 113 Ca 0.11 -0.06 0.03 0.00 -1.26 0.00 0.00 59.98 58.80 2e7n h ARG 113 Cb 0.54 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.74 2e7n h ARG 113 CO 0.03 0.38 0.59 0.35 0.56 0.00 0.00 179.97 181.88 2e7n h PHE 114 N 0.30 1.09 -0.46 3.04 3.57 -1.07 -2.35 116.94 121.06 2e7n h PHE 114 Ca 0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2e7n h PHE 114 Cb 0.12 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2e7n h PHE 114 CO -0.02 0.64 0.12 0.00 -2.23 0.00 0.00 178.31 176.82 2e7n h ALA 115 N 1.47 0.60 -0.94 2.41 0.00 -1.22 -2.89 119.26 118.70 2e7n h ALA 115 Ca 0.35 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 55.33 2e7n h ALA 115 Cb 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 17.79 17.48 2e7n h ALA 115 CO -0.10 0.28 0.43 0.87 0.00 0.00 0.00 179.25 180.73 2e7n h LYS 116 N 0.61 0.33 0.00 0.00 1.79 -0.81 -3.52 116.57 114.98 2e7n h LYS 116 Ca 0.14 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 2e7n h LYS 116 Cb 0.31 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2e7n h LYS 116 CO 0.00 0.22 0.00 -0.12 -1.08 0.00 0.00 179.45 178.47