#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7n n SER 2 N 0.00 0.93 -0.06 1.61 2.88 -1.26 -4.83 113.62 112.90 2e7n n SER 2 Ca 0.00 0.95 -0.12 0.00 -1.33 0.00 0.00 58.87 58.37 2e7n n SER 2 Cb 0.00 -0.70 -0.06 0.00 -0.75 0.00 0.00 64.21 62.69 2e7n n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2e7n h SER 3 N 3.93 0.34 0.00 -3.46 0.87 -2.11 -3.46 113.55 109.66 2e7n h SER 3 Ca -0.35 -0.39 0.00 0.00 -1.23 0.00 0.00 61.79 59.82 2e7n h SER 3 Cb 1.10 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2e7n h SER 3 CO 0.77 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 178.34 2e7n n GLY 4 N -0.07 -0.05 3.51 5.77 0.00 -1.26 -5.09 105.19 108.01 2e7n n GLY 4 Ca -0.05 0.69 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 2e7n n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e7n n SER 5 N 0.00 1.91 -3.65 1.61 7.64 -1.26 -4.82 113.62 115.06 2e7n n SER 5 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2e7n n SER 5 Cb 0.00 -1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 61.84 2e7n n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e7n s SER 6 N 9.88 -0.08 0.00 6.43 1.04 -1.26 -5.15 113.70 124.56 2e7n s SER 6 Ca 1.10 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2e7n s SER 6 Cb -0.61 0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2e7n s SER 6 CO 0.38 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2e7n n GLY 7 N -0.50 -1.06 0.00 7.32 0.00 -1.26 -4.65 105.19 105.05 2e7n n GLY 7 Ca -0.08 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.36 2.50 -0.02 0.00 -1.26 -5.11 105.19 101.66 2e7n n GLY 8 Ca 0.00 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 2e7n n GLY 8 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2e7n n LYS 9 N 0.00 0.00 -0.80 1.61 2.85 -1.26 -4.83 118.16 115.74 2e7n n LYS 9 Ca 0.00 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.91 2e7n n LYS 9 Cb 0.00 -0.79 0.12 0.00 -0.65 0.00 0.00 35.03 33.71 2e7n n LYS 9 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2e7n n LEU 10 N 2.24 -2.61 -4.70 -5.58 4.77 -1.26 -5.02 117.00 104.84 2e7n n LEU 10 Ca 0.04 -0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.69 2e7n n LEU 10 Cb 0.40 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 2e7n n LEU 10 CO 0.42 -2.95 -0.20 -0.44 -1.33 0.00 0.00 177.39 172.89 2e7n s SER 11 N -1.52 4.24 0.40 -1.43 0.01 -1.26 -4.94 113.70 109.20 2e7n s SER 11 Ca 0.48 -1.18 0.08 0.00 1.31 0.00 0.00 55.95 56.64 2e7n s SER 11 Cb -0.04 -0.43 0.84 0.00 0.21 0.00 0.00 66.02 66.60 2e7n s SER 11 CO 0.66 -0.52 2.02 -0.08 0.41 0.00 0.00 173.24 175.74 2e7n h GLU 12 N 1.53 0.47 0.00 12.44 4.81 -1.99 -2.25 114.58 129.59 2e7n h GLU 12 Ca -0.43 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.59 2e7n h GLU 12 Cb 1.25 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2e7n h GLU 12 CO 0.74 0.36 -1.22 0.72 -0.73 0.00 0.00 179.01 178.88 2e7n n HIS 13 N -4.43 0.63 -0.34 0.92 8.25 -1.26 -4.43 115.22 114.56 2e7n n HIS 13 Ca 0.02 0.27 -0.05 0.00 -0.26 0.00 0.00 57.72 57.71 2e7n n HIS 13 Cb 0.11 -0.87 -0.00 0.00 1.12 0.00 0.00 29.99 30.34 2e7n n HIS 13 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2e7n h LEU 14 N -1.00 -1.54 -0.88 2.41 5.85 -1.91 0.24 115.31 118.47 2e7n h LEU 14 Ca -0.24 0.29 0.21 0.00 0.84 0.00 0.00 57.88 58.98 2e7n h LEU 14 Cb 1.06 0.76 -0.17 0.00 0.37 0.00 0.00 40.66 42.68 2e7n h LEU 14 CO -0.15 -0.29 -0.09 -2.11 -0.34 0.00 0.00 178.44 175.46 2e7n n ARG 15 N -5.42 -0.07 0.01 1.25 1.85 -0.85 0.56 116.66 113.99 2e7n n ARG 15 Ca 0.06 1.35 -0.12 0.00 -1.00 0.00 0.00 57.85 58.14 2e7n n ARG 15 Cb 0.36 -2.08 -0.08 0.00 -1.05 0.00 0.00 32.46 29.61 2e7n n ARG 15 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 2e7n h TYR 16 N 0.00 0.02 -0.79 2.89 5.03 -0.76 -3.06 116.97 120.30 2e7n h TYR 16 Ca 0.48 -0.00 0.19 0.00 2.58 0.00 0.00 58.73 61.98 2e7n h TYR 16 Cb 0.89 -0.01 -0.13 0.00 1.55 0.00 0.00 36.73 39.03 2e7n h TYR 16 CO -0.56 0.24 0.05 0.00 -1.32 0.00 0.00 178.16 176.57 2e7n h ASP 18 N 0.13 0.31 0.13 0.00 1.82 -1.18 0.29 116.42 117.92 2e7n h ASP 18 Ca 0.45 0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 57.23 2e7n h ASP 18 Cb 0.82 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.96 2e7n h ASP 18 CO -0.67 -0.18 -0.06 0.77 -1.61 0.00 0.00 179.24 177.48 2e7n h SER 19 N 0.13 -0.15 -1.75 2.28 4.64 -0.48 -2.87 113.55 115.36 2e7n h SER 19 Ca 0.79 -0.24 0.54 0.00 -0.47 0.00 0.00 61.79 62.41 2e7n h SER 19 Cb 2.33 0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 64.36 2e7n h SER 19 CO -0.48 0.16 1.22 0.40 -0.87 0.00 0.00 176.83 177.27 2e7n h ILE 20 N -0.47 0.01 0.09 0.95 2.04 -0.41 0.91 117.51 120.63 2e7n h ILE 20 Ca -0.02 -0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.70 2e7n h ILE 20 Cb 0.38 0.01 0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2e7n h ILE 20 CO 0.03 0.00 -0.62 0.25 0.00 0.00 0.00 178.15 177.81 2e7n h LEU 21 N 0.00 0.38 -1.86 1.44 5.85 -1.44 -3.03 115.31 116.66 2e7n h LEU 21 Ca 0.92 -0.93 0.12 0.00 0.84 0.00 0.00 57.88 58.83 2e7n h LEU 21 Cb 3.42 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 44.30 2e7n h LEU 21 CO -0.18 1.28 0.35 0.08 -0.34 0.00 0.00 178.44 179.62 2e7n h ARG 22 N -0.45 0.15 -0.04 1.25 -0.00 0.98 -1.60 114.38 114.66 2e7n h ARG 22 Ca -0.10 -0.01 -0.09 0.00 -0.00 0.00 0.00 59.98 59.77 2e7n h ARG 22 Cb 1.46 -0.03 0.01 0.00 -0.00 0.00 0.00 29.97 31.40 2e7n h ARG 22 CO 0.12 0.10 -0.34 1.49 -0.00 0.00 0.00 179.97 181.33 2e7n h GLU 23 N 0.16 0.31 -0.01 0.08 4.81 -1.28 -3.17 114.58 115.47 2e7n h GLU 23 Ca 0.24 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2e7n h GLU 23 Cb 0.72 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 2e7n h GLU 23 CO -0.03 0.94 0.01 0.52 -0.73 0.00 0.00 179.01 179.71 2e7n h MET 24 N -0.23 0.00 -1.25 1.92 2.86 -1.20 -1.62 114.93 115.41 2e7n h MET 24 Ca -0.03 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.24 2e7n h MET 24 Cb 1.03 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.51 2e7n h MET 24 CO 0.07 0.00 0.47 1.28 1.06 0.00 0.00 176.91 179.79 2e7n n LEU 25 N -4.04 6.14 -4.51 1.22 4.77 -0.71 -4.41 117.00 115.46 2e7n n LEU 25 Ca -0.03 -3.22 -0.35 0.00 -0.03 0.00 0.00 56.01 52.39 2e7n n LEU 25 Cb 0.09 -0.91 -0.12 0.00 -2.33 0.00 0.00 43.42 40.16 2e7n n LEU 25 CO 0.29 1.10 -0.30 -0.55 -1.33 0.00 0.00 177.39 176.61 2e7n s SER 26 N -0.30 5.16 0.42 -1.43 0.15 -0.61 -4.96 113.70 112.13 2e7n s SER 26 Ca 0.37 -0.10 0.38 0.00 0.70 0.00 0.00 55.95 57.29 2e7n s SER 26 Cb 0.29 -1.89 1.33 0.00 -1.71 0.00 0.00 66.02 64.05 2e7n s SER 26 CO 0.02 0.09 1.22 2.29 1.20 0.00 0.00 173.24 178.07 2e7n n LYS 27 N 4.08 -0.00 0.43 5.44 0.00 -1.26 0.61 118.16 127.45 2e7n n LYS 27 Ca -0.17 0.87 -0.19 0.00 -0.00 0.00 0.00 58.31 58.82 2e7n n LYS 27 Cb 0.52 -1.96 -0.10 0.00 -0.00 0.00 0.00 35.03 33.49 2e7n n LYS 27 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2e7n h LYS 28 N 0.00 -1.10 0.00 -1.58 1.63 -1.92 -2.94 116.57 110.65 2e7n h LYS 28 Ca 0.73 0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 60.59 2e7n h LYS 28 Cb 2.86 0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 34.74 2e7n h LYS 28 CO -0.06 -0.73 -0.10 0.45 -3.45 0.00 0.00 179.45 175.55 2e7n h HIS 29 N -1.14 0.00 -0.99 1.91 3.86 -0.13 -3.29 115.15 115.37 2e7n h HIS 29 Ca -0.10 0.00 0.34 0.00 -1.16 0.00 0.00 60.37 59.45 2e7n h HIS 29 Cb 0.90 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.22 2e7n h HIS 29 CO -0.07 0.10 0.51 0.00 0.86 0.00 0.00 177.93 179.33 2e7n h ALA 30 N 1.90 1.93 -1.34 2.45 0.00 -0.59 0.37 119.26 123.97 2e7n h ALA 30 Ca -0.00 0.22 0.47 0.00 0.00 0.00 0.00 54.91 55.60 2e7n h ALA 30 Cb 0.98 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2e7n h ALA 30 CO 0.01 -0.67 0.85 0.00 0.00 0.00 0.00 179.25 179.44 2e7n h ALA 31 N 1.89 2.76 0.00 0.00 0.00 -1.64 0.40 119.26 122.67 2e7n h ALA 31 Ca 0.75 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.80 2e7n h ALA 31 Cb 1.77 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2e7n h ALA 31 CO -0.67 -1.46 -0.13 2.48 0.00 0.00 0.00 179.25 179.47 2e7n n TYR 32 N -4.79 0.00 -0.05 0.00 4.11 0.11 -4.67 117.16 111.87 2e7n n TYR 32 Ca 0.40 -0.48 0.00 0.00 -0.00 0.00 0.00 57.90 57.82 2e7n n TYR 32 Cb 1.53 -0.08 0.00 0.00 -0.00 0.00 0.00 39.34 40.79 2e7n n TYR 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2e7n n ALA 33 N -0.65 2.29 0.09 -3.48 0.00 0.12 -4.07 120.51 114.80 2e7n n ALA 33 Ca 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 52.88 2e7n n ALA 33 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.00 0.00 5.08 -1.19 -3.20 115.95 116.64 2e7n h TRP 34 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2e7n h TRP 34 Cb 0.12 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.28 2e7n h TRP 34 CO 0.00 0.84 0.58 -1.35 -1.28 0.00 0.00 178.44 177.24 2e7n h PRO 35 N 0.00 0.00 0.00 0.12 0.11 -1.83 0.28 132.00 130.67 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 1.53 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.59 2e7n h PRO 35 CO 0.11 0.00 -2.12 1.19 -0.21 0.00 0.00 178.00 176.97 2e7n n PHE 36 N -2.65 0.00 -0.31 0.65 3.01 -1.21 -4.59 117.46 112.35 2e7n n PHE 36 Ca -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.44 2e7n n PHE 36 Cb 0.61 -0.79 0.04 0.00 -0.01 0.00 0.00 39.48 39.33 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 -2.74 0.04 -3.18 1.38 4.02 0.96 -4.10 117.16 113.53 2e7n n TYR 37 Ca -0.29 1.01 -0.36 0.00 -0.01 0.00 0.00 57.90 58.24 2e7n n TYR 37 Cb 0.98 -0.81 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 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 -5.78 4.19 0.82 -0.72 1.02 -1.22 -4.54 119.74 113.50 2e7n s LYS 38 Ca -0.11 0.77 -0.11 0.00 0.02 0.00 0.00 55.97 56.54 2e7n s LYS 38 Cb 0.17 -2.97 0.08 0.00 -0.52 0.00 0.00 37.83 34.60 2e7n s LYS 38 CO 0.59 0.46 1.09 -1.25 -0.92 0.00 0.00 175.35 175.32 2e7n s PRO 39 N -1.80 1.91 -0.37 -1.68 0.04 -1.26 -4.99 135.00 126.85 2e7n s PRO 39 Ca 0.39 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 2e7n s PRO 39 Cb -0.17 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2e7n s PRO 39 CO 0.21 -1.85 0.25 0.54 0.04 0.00 0.00 177.00 176.19 2e7n s VAL 40 N -2.91 5.17 -0.27 -0.36 0.11 -1.26 -5.05 120.40 115.83 2e7n s VAL 40 Ca 0.62 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 59.25 2e7n s VAL 40 Cb -0.17 -3.76 0.06 0.00 -1.53 0.00 0.00 36.38 30.98 2e7n s VAL 40 CO 0.56 -0.14 -0.10 -0.62 -3.33 0.00 0.00 175.10 171.48 2e7n s ASP 41 N 1.69 4.48 0.30 3.54 -1.08 -1.26 -4.98 116.67 119.35 2e7n s ASP 41 Ca 0.05 -1.47 -0.01 0.00 -0.52 0.00 0.00 52.55 50.60 2e7n s ASP 41 Cb -0.18 -1.56 0.45 0.00 -1.46 0.00 0.00 42.92 40.17 2e7n s ASP 41 CO 0.10 -0.21 1.90 0.00 0.52 0.00 0.00 175.17 177.48 2e7n h ALA 42 N 7.76 1.33 0.66 3.66 0.00 -1.88 0.17 119.26 130.95 2e7n h ALA 42 Ca -0.18 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2e7n h ALA 42 Cb 1.04 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.58 2e7n h ALA 42 CO 0.47 0.52 -0.32 0.93 0.00 0.00 0.00 179.25 180.85 2e7n h GLU 43 N 0.91 -0.85 0.07 0.00 5.08 -1.94 -3.25 114.58 114.59 2e7n h GLU 43 Ca 0.22 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2e7n h GLU 43 Cb 0.10 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2e7n h GLU 43 CO -0.03 -0.57 -0.15 0.00 -1.00 0.00 0.00 179.01 177.26 2e7n h ALA 44 N -1.51 -0.24 -3.32 3.43 0.00 -1.96 -3.44 119.26 112.22 2e7n h ALA 44 Ca -0.09 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.46 2e7n h ALA 44 Cb 0.68 0.25 0.17 0.00 0.00 0.00 0.00 17.79 18.89 2e7n h ALA 44 CO 0.15 -0.67 0.09 1.28 0.00 0.00 0.00 179.25 180.10 2e7n n LEU 45 N -5.28 0.00 -4.09 0.00 4.77 0.04 -4.95 117.00 107.50 2e7n n LEU 45 Ca -0.06 -0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 54.49 2e7n n LEU 45 Cb 0.20 -0.87 0.01 0.00 -2.33 0.00 0.00 43.42 40.43 2e7n n LEU 45 CO 0.28 -2.05 1.08 -1.84 -1.33 0.00 0.00 177.39 173.53 2e7n n GLU 46 N -4.45 4.22 -3.68 3.23 0.28 -1.26 -4.84 120.64 114.15 2e7n n GLU 46 Ca 0.13 -4.50 -0.23 0.00 -0.16 0.00 0.00 57.16 52.40 2e7n n GLU 46 Cb 0.51 -2.54 -0.17 0.00 1.43 0.00 0.00 31.44 30.67 2e7n n GLU 46 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2e7n s LEU 47 N -2.32 0.42 -0.07 -1.84 1.43 -1.23 -5.04 118.68 110.04 2e7n s LEU 47 Ca 0.31 -0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 52.90 2e7n s LEU 47 Cb 0.01 -0.28 -0.18 0.00 0.03 0.00 0.00 46.19 45.77 2e7n s LEU 47 CO 0.06 -0.28 0.85 0.45 0.23 0.00 0.00 176.35 177.66 2e7n h HIS 48 N 8.39 -0.10 -3.14 0.29 3.86 -1.92 -3.42 115.15 119.11 2e7n h HIS 48 Ca -0.15 -0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.44 2e7n h HIS 48 Cb 1.13 0.03 -0.40 0.00 1.06 0.00 0.00 27.41 29.23 2e7n h HIS 48 CO 0.34 0.45 -0.72 -0.51 0.86 0.00 0.00 177.93 178.36 2e7n s ASP 49 N -5.70 3.91 -0.17 2.45 1.11 -1.26 -4.94 116.67 112.07 2e7n s ASP 49 Ca -0.14 -2.56 -0.12 0.00 0.18 0.00 0.00 52.55 49.91 2e7n s ASP 49 Cb -0.00 -1.18 -0.07 0.00 1.07 0.00 0.00 42.92 42.74 2e7n s ASP 49 CO 0.53 -0.28 -0.27 0.00 1.18 0.00 0.00 175.17 176.32 2e7n n TYR 50 N 3.66 0.00 -0.33 4.23 9.36 -1.26 -4.59 117.16 128.23 2e7n n TYR 50 Ca 0.06 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.40 2e7n n TYR 50 Cb 0.35 -0.59 0.29 0.00 -0.63 0.00 0.00 39.34 38.77 2e7n n TYR 50 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2e7n h HIS 51 N -0.76 0.90 -0.88 2.98 3.86 -1.92 -1.21 115.15 118.11 2e7n h HIS 51 Ca -0.29 0.04 0.17 0.00 -1.16 0.00 0.00 60.37 59.13 2e7n h HIS 51 Cb 1.14 -0.26 -0.17 0.00 1.06 0.00 0.00 27.41 29.19 2e7n h HIS 51 CO -0.19 0.16 -0.25 -0.44 0.86 0.00 0.00 177.93 178.08 2e7n h ASP 52 N 0.65 -0.91 0.03 2.45 5.19 -1.97 -1.03 116.42 120.82 2e7n h ASP 52 Ca 0.54 0.27 -0.11 0.00 -0.62 0.00 0.00 57.03 57.11 2e7n h ASP 52 Cb 0.87 0.58 0.01 0.00 0.18 0.00 0.00 39.33 40.96 2e7n h ASP 52 CO -0.41 -0.29 -0.45 0.40 -3.12 0.00 0.00 179.24 175.37 2e7n h ILE 53 N -0.01 1.52 -3.04 0.35 5.03 -1.51 -3.41 117.51 116.44 2e7n h ILE 53 Ca 0.41 -2.14 -0.65 0.00 -0.12 0.00 0.00 64.86 62.36 2e7n h ILE 53 Cb 0.64 2.85 -0.15 0.00 -3.03 0.00 0.00 36.82 37.13 2e7n h ILE 53 CO -0.91 0.60 0.35 -0.63 -0.68 0.00 0.00 178.15 176.87 2e7n s ILE 54 N -2.94 4.57 0.07 -0.67 -1.09 -0.39 -4.93 121.20 115.82 2e7n s ILE 54 Ca -0.15 -0.28 -0.33 0.00 -2.23 0.00 0.00 60.65 57.66 2e7n s ILE 54 Cb 0.01 -4.50 -0.19 0.00 -1.58 0.00 0.00 42.46 36.21 2e7n s ILE 54 CO 0.78 -1.11 1.62 0.11 -1.23 0.00 0.00 174.94 175.11 2e7n h LYS 55 N 9.26 -0.92 -3.21 2.79 1.57 -1.81 -3.41 116.57 120.85 2e7n h LYS 55 Ca -0.28 0.06 -0.57 0.00 -1.87 0.00 0.00 60.65 58.00 2e7n h LYS 55 Cb 1.08 0.21 -0.40 0.00 0.08 0.00 0.00 32.23 33.20 2e7n h LYS 55 CO 1.08 -0.61 -0.77 -1.01 -0.57 0.00 0.00 179.45 177.57 2e7n s HIS 56 N -6.05 1.26 0.58 -1.35 3.76 -1.26 -5.04 115.29 107.20 2e7n s HIS 56 Ca -0.18 -1.55 -0.18 0.00 -0.15 0.00 0.00 55.06 53.00 2e7n s HIS 56 Cb 0.03 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 2e7n s HIS 56 CO 0.62 -0.85 1.12 -1.25 -0.85 0.00 0.00 174.74 173.53 2e7n s PRO 57 N 1.59 3.16 0.03 8.40 0.04 -1.26 -4.98 135.00 141.99 2e7n s PRO 57 Ca 0.11 1.54 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 2e7n s PRO 57 Cb -0.18 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 2e7n s PRO 57 CO -0.24 -0.99 -0.03 1.41 0.04 0.00 0.00 177.00 177.19 2e7n s MET 58 N -3.56 0.43 0.01 4.56 1.75 -1.26 -5.06 119.30 116.16 2e7n s MET 58 Ca 0.71 -0.82 -0.06 0.00 -1.25 0.00 0.00 55.69 54.27 2e7n s MET 58 Cb -0.23 0.10 -0.00 0.00 2.84 0.00 0.00 34.83 37.54 2e7n s MET 58 CO 0.32 -0.06 0.10 -0.51 -0.65 0.00 0.00 175.02 174.22 2e7n s ASP 59 N -1.94 0.08 0.20 1.11 1.01 -1.26 -4.79 116.67 111.08 2e7n s ASP 59 Ca -0.08 -0.30 -0.15 0.00 0.71 0.00 0.00 52.55 52.73 2e7n s ASP 59 Cb -0.04 0.18 0.19 0.00 1.01 0.00 0.00 42.92 44.26 2e7n s ASP 59 CO -0.04 -0.36 1.63 -0.07 0.21 0.00 0.00 175.17 176.54 2e7n h LEU 60 N 4.31 -0.62 -0.87 1.23 3.38 -1.90 -0.16 115.31 120.70 2e7n h LEU 60 Ca -0.31 0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.06 2e7n h LEU 60 Cb 1.20 0.39 -0.15 0.00 0.09 0.00 0.00 40.66 42.18 2e7n h LEU 60 CO 0.41 -0.21 0.04 -1.28 0.09 0.00 0.00 178.44 177.49 2e7n h SER 61 N -0.03 -0.36 0.17 -0.43 0.87 -1.80 0.23 113.55 112.21 2e7n h SER 61 Ca 0.27 0.23 0.01 0.00 -1.23 0.00 0.00 61.79 61.07 2e7n h SER 61 Cb 0.45 0.39 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 2e7n h SER 61 CO -0.60 -0.24 -0.27 0.74 -0.53 0.00 0.00 176.83 175.93 2e7n h THR 62 N 0.09 0.42 -0.63 2.23 2.02 -1.42 -1.50 112.91 114.12 2e7n h THR 62 Ca 0.50 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.81 2e7n h THR 62 Cb 0.96 0.42 -0.11 0.00 -1.74 0.00 0.00 68.15 67.68 2e7n h THR 62 CO -0.77 0.00 -0.05 0.58 0.37 0.00 0.00 175.52 175.65 2e7n h VAL 63 N -0.51 0.44 -0.61 3.16 2.07 -0.82 0.96 116.25 120.94 2e7n h VAL 63 Ca 0.02 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2e7n h VAL 63 Cb 0.51 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2e7n h VAL 63 CO -0.12 0.01 0.36 0.50 0.02 0.00 0.00 177.57 178.34 2e7n h LYS 64 N 0.07 0.68 -0.52 1.57 1.63 -0.99 0.19 116.57 119.20 2e7n h LYS 64 Ca 0.32 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 2e7n h LYS 64 Cb 0.52 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2e7n h LYS 64 CO -0.58 0.45 0.26 0.00 -3.45 0.00 0.00 179.45 176.14 2e7n h ARG 65 N 0.70 0.74 0.35 1.90 2.47 0.05 0.33 114.38 120.92 2e7n h ARG 65 Ca 0.25 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 2e7n h ARG 65 Cb 0.06 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 2e7n h ARG 65 CO -0.12 0.59 -0.17 0.87 0.56 0.00 0.00 179.97 181.71 2e7n h LYS 66 N 0.69 -0.45 -0.61 0.04 1.57 -0.43 -1.74 116.57 115.64 2e7n h LYS 66 Ca 0.18 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 2e7n h LYS 66 Cb 0.09 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2e7n h LYS 66 CO -0.03 -0.15 0.37 1.98 -0.57 0.00 0.00 179.45 181.06 2e7n h MET 67 N -0.78 0.71 -0.82 3.15 4.05 -0.61 0.29 114.93 120.92 2e7n h MET 67 Ca -0.05 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 2e7n h MET 67 Cb 0.52 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 31.10 2e7n h MET 67 CO 0.08 0.47 0.51 -0.44 0.23 0.00 0.00 176.91 177.76 2e7n h ASP 68 N 0.73 0.83 -0.41 1.39 5.19 -0.34 -1.37 116.42 122.44 2e7n h ASP 68 Ca 0.24 0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 56.46 2e7n h ASP 68 Cb 0.02 -0.17 -0.12 0.00 0.18 0.00 0.00 39.33 39.24 2e7n h ASP 68 CO -0.10 0.55 0.25 0.61 -3.12 0.00 0.00 179.24 177.43 2e7n n GLY 69 N -1.32 2.96 4.36 2.75 0.00 -0.66 -4.86 105.19 108.43 2e7n n GLY 69 Ca 0.11 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.47 0.10 1.61 5.12 -0.52 -4.82 116.66 116.53 2e7n n ARG 70 Ca 0.24 0.19 -0.21 0.00 -1.93 0.00 0.00 57.85 56.15 2e7n n ARG 70 Cb 0.97 -4.40 -0.15 0.00 -1.16 0.00 0.00 32.46 27.72 2e7n n ARG 70 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2e7n h GLU 71 N -1.37 0.39 -6.38 5.56 5.08 -0.64 -3.45 114.58 113.76 2e7n h GLU 71 Ca -0.62 -0.66 -0.54 0.00 -1.00 0.00 0.00 59.36 56.54 2e7n h GLU 71 Cb 1.39 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2e7n h GLU 71 CO 0.79 1.29 0.90 0.71 -1.00 0.00 0.00 179.01 181.70 2e7n s TYR 72 N -2.61 2.66 0.05 4.33 2.02 -1.25 -4.93 117.35 117.62 2e7n s TYR 72 Ca -0.10 0.64 -0.19 0.00 -0.37 0.00 0.00 57.07 57.04 2e7n s TYR 72 Cb 0.06 -3.76 -0.13 0.00 -0.40 0.00 0.00 41.96 37.72 2e7n s TYR 72 CO 0.89 -2.93 1.36 -1.00 -1.57 0.00 0.00 175.55 172.29 2e7n h PRO 73 N 8.11 0.41 -3.70 -1.71 0.13 -1.87 -3.46 132.00 129.91 2e7n h PRO 73 Ca -0.39 -0.22 -0.08 0.00 -0.87 0.00 0.00 66.00 64.45 2e7n h PRO 73 Cb 1.18 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 2e7n h PRO 73 CO 0.92 0.78 -0.20 -0.51 -0.23 0.00 0.00 178.00 178.75 2e7n s ASP 74 N -6.19 -0.06 0.40 1.44 1.11 -1.26 -4.65 116.67 107.46 2e7n s ASP 74 Ca -0.14 -0.76 0.22 0.00 0.18 0.00 0.00 52.55 52.05 2e7n s ASP 74 Cb 0.06 0.49 1.23 0.00 1.07 0.00 0.00 42.92 45.77 2e7n s ASP 74 CO 0.76 -0.96 1.68 0.00 1.18 0.00 0.00 175.17 177.83 2e7n h ALA 75 N 2.42 2.35 -0.37 5.23 0.00 -1.89 0.20 119.26 127.20 2e7n h ALA 75 Ca -0.30 0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2e7n h ALA 75 Cb 1.24 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 2e7n h ALA 75 CO 0.44 -0.91 -0.06 1.96 0.00 0.00 0.00 179.25 180.67 2e7n h GLN 76 N 0.24 0.03 0.07 0.00 7.50 -1.99 -1.29 115.11 119.67 2e7n h GLN 76 Ca 0.73 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.88 2e7n h GLN 76 Cb 1.99 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 29.51 2e7n h GLN 76 CO -0.45 0.02 -0.06 0.78 -1.50 0.00 0.00 178.83 177.63 2e7n h GLY 77 N 0.03 -0.12 0.19 3.46 0.00 -1.01 0.11 103.07 105.72 2e7n h GLY 77 Ca 0.18 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.64 2e7n h GLY 77 CO -0.35 -0.06 -0.16 -2.75 0.00 0.00 0.00 176.54 173.21 2e7n h PHE 78 N -0.13 -0.41 -0.51 5.60 3.57 -1.30 -1.82 116.94 121.94 2e7n h PHE 78 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2e7n h PHE 78 Cb 0.12 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2e7n h PHE 78 CO -0.10 -0.24 0.19 0.00 -2.23 0.00 0.00 178.31 175.94 2e7n h ALA 79 N 1.11 0.66 -0.45 2.41 0.00 -1.10 -2.64 119.26 119.26 2e7n h ALA 79 Ca 0.16 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2e7n h ALA 79 Cb 0.37 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 2e7n h ALA 79 CO -0.39 0.28 -0.40 0.00 0.00 0.00 0.00 179.25 178.74 2e7n h ALA 80 N 1.04 -0.32 0.67 0.00 0.00 0.03 0.76 119.26 121.43 2e7n h ALA 80 Ca 0.17 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2e7n h ALA 80 Cb 0.21 0.85 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2e7n h ALA 80 CO -0.01 -0.81 -0.37 -0.44 0.00 0.00 0.00 179.25 177.61 2e7n h ASP 81 N -0.28 -0.91 -0.72 0.00 5.19 -1.35 -2.75 116.42 115.59 2e7n h ASP 81 Ca 0.16 0.04 0.12 0.00 -0.62 0.00 0.00 57.03 56.74 2e7n h ASP 81 Cb 0.57 0.26 -0.13 0.00 0.18 0.00 0.00 39.33 40.20 2e7n h ASP 81 CO -0.60 -0.60 -0.33 0.58 -3.12 0.00 0.00 179.24 175.18 2e7n h VAL 82 N -0.96 0.13 -0.72 -1.35 2.07 -1.05 0.22 116.25 114.58 2e7n h VAL 82 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.59 2e7n h VAL 82 Cb 0.76 0.13 -0.11 0.00 -1.52 0.00 0.00 31.29 30.56 2e7n h VAL 82 CO 0.11 0.00 0.17 0.03 0.02 0.00 0.00 177.57 177.91 2e7n h ARG 83 N -0.10 0.26 -1.00 1.57 3.08 -0.74 0.83 114.38 118.28 2e7n h ARG 83 Ca 0.28 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.33 2e7n h ARG 83 Cb 0.57 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 2e7n h ARG 83 CO -0.78 0.18 0.67 1.25 -1.07 0.00 0.00 179.97 180.21 2e7n h LEU 84 N 0.27 1.15 -0.41 3.04 5.85 -0.31 -1.96 115.31 122.95 2e7n h LEU 84 Ca 0.40 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.18 2e7n h LEU 84 Cb 0.68 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 2e7n h LEU 84 CO -0.50 0.83 -0.11 -0.03 -0.34 0.00 0.00 178.44 178.30 2e7n h MET 85 N 1.36 -0.01 -0.22 1.25 4.05 0.15 -0.41 114.93 121.10 2e7n h MET 85 Ca 0.37 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.69 2e7n h MET 85 Cb -0.16 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 2e7n h MET 85 CO -0.08 -0.01 -0.28 0.74 0.23 0.00 0.00 176.91 177.52 2e7n h PHE 86 N -0.01 0.49 0.45 1.39 0.04 -1.25 -2.86 116.94 115.18 2e7n h PHE 86 Ca 0.20 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2e7n h PHE 86 Cb 0.31 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.35 2e7n h PHE 86 CO -0.37 0.67 -0.22 0.77 -0.60 0.00 0.00 178.31 178.57 2e7n h SER 87 N 0.38 -0.51 -0.74 2.17 0.02 -0.37 -3.11 113.55 111.38 2e7n h SER 87 Ca 0.05 0.02 0.17 0.00 -0.84 0.00 0.00 61.79 61.19 2e7n h SER 87 Cb 0.69 0.13 -0.13 0.00 0.14 0.00 0.00 62.40 63.23 2e7n h SER 87 CO 0.05 -0.36 0.04 0.78 -1.14 0.00 0.00 176.83 176.20 2e7n h ASN 88 N -0.61 -0.26 -0.10 3.07 2.35 -1.22 0.84 115.58 119.65 2e7n h ASN 88 Ca -0.06 0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2e7n h ASN 88 Cb 0.46 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2e7n h ASN 88 CO 0.10 -0.15 -0.06 0.00 -1.65 0.00 0.00 177.43 175.67 2e7n h TYR 90 N 0.00 1.14 -1.00 0.00 0.05 -1.45 -1.84 116.97 113.87 2e7n h TYR 90 Ca 0.02 -0.33 0.34 0.00 0.05 0.00 0.00 58.73 58.81 2e7n h TYR 90 Cb 0.04 -0.25 -0.18 0.00 1.01 0.00 0.00 36.73 37.35 2e7n h TYR 90 CO -0.76 1.16 0.27 -0.22 -1.05 0.00 0.00 178.16 177.56 2e7n h LYS 91 N 0.79 0.00 0.00 4.88 3.11 0.96 -3.14 116.57 123.18 2e7n h LYS 91 Ca 0.07 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 2e7n h LYS 91 Cb 0.95 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 2e7n h LYS 91 CO 0.09 0.00 -0.06 0.98 -2.81 0.00 0.00 179.45 177.65 2e7n n TYR 92 N -5.38 0.04 -1.59 1.91 9.36 -0.26 -4.96 117.16 116.28 2e7n n TYR 92 Ca 0.30 0.02 -0.46 0.00 3.32 0.00 0.00 57.90 61.08 2e7n n TYR 92 Cb 1.02 -0.17 -0.02 0.00 -0.63 0.00 0.00 39.34 39.53 2e7n n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 2e7n n ASN 93 N -2.55 1.40 -4.72 2.98 3.02 -0.70 -4.94 115.26 109.75 2e7n n ASN 93 Ca -0.01 1.16 -0.30 0.00 -0.03 0.00 0.00 54.58 55.41 2e7n n ASN 93 Cb 0.03 -1.27 0.13 0.00 -0.61 0.00 0.00 39.78 38.06 2e7n n ASN 93 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2e7n s PRO 94 N -1.06 1.38 0.00 3.52 0.04 -1.26 -4.58 135.00 133.03 2e7n s PRO 94 Ca 0.64 0.86 0.14 0.00 0.04 0.00 0.00 61.00 62.68 2e7n s PRO 94 Cb -0.75 -1.82 0.83 0.00 0.04 0.00 0.00 34.50 32.80 2e7n s PRO 94 CO 0.56 -2.17 1.25 -0.35 0.04 0.00 0.00 177.00 176.34 2e7n n PRO 95 N -3.84 0.49 -0.11 0.56 -0.04 -1.26 -2.62 135.00 128.18 2e7n n PRO 95 Ca 0.07 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.35 2e7n n PRO 95 Cb 0.55 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.44 2e7n n PRO 95 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2e7n n ASP 96 N -0.95 1.87 -4.70 3.54 2.03 -1.26 -4.95 116.55 112.13 2e7n n ASP 96 Ca 0.10 -0.09 -0.61 0.00 0.52 0.00 0.00 54.79 54.72 2e7n n ASP 96 Cb 0.05 -0.38 -0.08 0.00 -0.72 0.00 0.00 41.12 39.99 2e7n n ASP 96 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2e7n n HIS 97 N -3.26 1.81 -0.25 -0.67 -0.00 -1.08 -4.82 115.22 106.96 2e7n n HIS 97 Ca -0.43 0.80 -0.00 0.00 0.46 0.00 0.00 57.72 58.54 2e7n n HIS 97 Cb 1.01 -2.34 0.12 0.00 -0.12 0.00 0.00 29.99 28.66 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 5.91 0.67 -1.36 1.57 4.11 -1.92 -1.47 114.58 122.08 2e7n h GLU 98 Ca -0.46 -0.04 0.43 0.00 0.07 0.00 0.00 59.36 59.36 2e7n h GLU 98 Cb 1.35 -0.15 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 2e7n h GLU 98 CO 0.93 0.44 0.90 -0.24 0.07 0.00 0.00 179.01 181.11 2e7n h VAL 99 N 0.69 0.16 -0.21 -1.06 3.04 -1.97 0.34 116.25 117.23 2e7n h VAL 99 Ca 0.33 -0.03 0.05 0.00 -1.01 0.00 0.00 66.70 66.03 2e7n h VAL 99 Cb 0.26 0.05 -0.05 0.00 -2.01 0.00 0.00 31.29 29.55 2e7n h VAL 99 CO -0.22 0.02 -0.08 0.58 -1.01 0.00 0.00 177.57 176.86 2e7n h VAL 100 N 0.10 0.72 -0.49 1.51 2.07 -1.59 -1.50 116.25 117.06 2e7n h VAL 100 Ca 0.80 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.37 2e7n h VAL 100 Cb 2.60 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 33.04 2e7n h VAL 100 CO -0.34 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.47 2e7n h ALA 101 N 1.15 0.62 -0.48 1.67 0.00 -0.47 -2.30 119.26 119.45 2e7n h ALA 101 Ca 0.11 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2e7n h ALA 101 Cb 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2e7n h ALA 101 CO -0.24 -0.16 0.20 0.52 0.00 0.00 0.00 179.25 179.57 2e7n h MET 102 N 0.43 0.38 -1.00 0.00 2.86 -1.31 -1.69 114.93 114.60 2e7n h MET 102 Ca 0.23 -0.02 0.18 0.00 -2.06 0.00 0.00 59.70 58.02 2e7n h MET 102 Cb 0.19 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 31.66 2e7n h MET 102 CO -0.19 0.25 0.62 0.00 1.06 0.00 0.00 176.91 178.65 2e7n h ALA 103 N 1.29 1.67 0.13 6.32 0.00 -0.72 -1.90 119.26 126.06 2e7n h ALA 103 Ca 0.22 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.21 2e7n h ALA 103 Cb 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2e7n h ALA 103 CO -0.20 -0.01 -0.26 0.00 0.00 0.00 0.00 179.25 178.78 2e7n h ARG 104 N 0.80 -0.47 -0.91 0.00 2.47 -1.08 -2.16 114.38 113.04 2e7n h ARG 104 Ca 0.56 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 59.46 2e7n h ARG 104 Cb 0.83 0.11 -0.15 0.00 -1.65 0.00 0.00 29.97 29.10 2e7n h ARG 104 CO -0.35 -0.31 -0.34 1.63 0.56 0.00 0.00 179.97 181.16 2e7n n LYS 105 N -5.38 -0.19 0.17 0.04 5.02 -0.71 -0.20 118.16 116.90 2e7n n LYS 105 Ca -0.07 1.40 -0.14 0.00 -2.02 0.00 0.00 58.31 57.48 2e7n n LYS 105 Cb 0.29 -2.08 -0.08 0.00 -0.02 0.00 0.00 35.03 33.14 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 -0.31 -1.31 -0.35 5.85 -1.50 -2.52 115.31 115.16 2e7n h LEU 106 Ca 0.33 -0.02 0.41 0.00 0.84 0.00 0.00 57.88 59.44 2e7n h LEU 106 Cb 0.56 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.54 2e7n h LEU 106 CO -0.91 -0.19 0.77 -0.61 -0.34 0.00 0.00 178.44 177.16 2e7n h GLN 107 N -0.41 0.12 -0.48 1.25 4.15 0.06 1.02 115.11 120.82 2e7n h GLN 107 Ca -0.04 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 2e7n h GLN 107 Cb 0.31 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 2e7n h GLN 107 CO 0.06 0.08 -0.00 0.22 -1.93 0.00 0.00 178.83 177.26 2e7n h ASP 108 N 0.13 0.83 -0.10 -0.69 3.58 -0.85 0.31 116.42 119.63 2e7n h ASP 108 Ca 0.80 -0.31 -0.08 0.00 0.42 0.00 0.00 57.03 57.86 2e7n h ASP 108 Cb 2.35 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 43.18 2e7n h ASP 108 CO -0.47 0.94 -0.25 0.58 -2.88 0.00 0.00 179.24 177.17 2e7n h VAL 109 N 0.71 1.40 -0.56 2.25 2.07 0.10 -2.32 116.25 119.89 2e7n h VAL 109 Ca 0.14 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 2e7n h VAL 109 Cb 0.51 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 2e7n h VAL 109 CO 0.02 0.45 0.28 0.15 0.02 0.00 0.00 177.57 178.50 2e7n h PHE 110 N -0.10 0.80 0.17 1.57 3.57 -0.72 -0.11 116.94 122.11 2e7n h PHE 110 Ca -0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2e7n h PHE 110 Cb 0.85 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2e7n h PHE 110 CO 0.11 0.61 -0.08 0.93 -2.23 0.00 0.00 178.31 177.65 2e7n h GLU 111 N 0.76 -0.22 -1.02 1.11 5.08 -0.98 -1.91 114.58 117.40 2e7n h GLU 111 Ca 0.19 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.82 2e7n h GLU 111 Cb 0.10 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.29 2e7n h GLU 111 CO -0.03 -0.14 0.63 0.00 -1.00 0.00 0.00 179.01 178.47 2e7n h MET 112 N -0.25 0.49 -0.09 2.33 -0.00 -1.48 -0.04 114.93 115.90 2e7n h MET 112 Ca -0.02 -0.03 0.02 0.00 -0.00 0.00 0.00 59.70 59.66 2e7n h MET 112 Cb 0.17 -0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 31.65 2e7n h MET 112 CO 0.04 0.32 -0.02 0.00 -0.00 0.00 0.00 176.91 177.25 2e7n h ARG 113 N 0.50 0.01 -0.26 -0.10 2.47 -0.94 0.38 114.38 116.44 2e7n h ARG 113 Ca 0.61 -0.00 0.06 0.00 -1.26 0.00 0.00 59.98 59.40 2e7n h ARG 113 Cb 1.34 -0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.59 2e7n h ARG 113 CO -0.37 0.00 -0.21 0.35 0.56 0.00 0.00 179.97 180.30 2e7n h PHE 114 N 0.01 -0.54 -0.03 3.04 3.57 -0.17 -2.38 116.94 120.43 2e7n h PHE 114 Ca 0.04 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2e7n h PHE 114 Cb 0.06 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2e7n h PHE 114 CO -0.14 -0.29 0.02 0.00 -2.23 0.00 0.00 178.31 175.68 2e7n h ALA 115 N 0.91 0.04 -0.88 2.41 0.00 -1.28 -2.79 119.26 117.67 2e7n h ALA 115 Ca 0.14 -0.03 0.30 0.00 0.00 0.00 0.00 54.91 55.33 2e7n h ALA 115 Cb 0.42 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.04 2e7n h ALA 115 CO -0.38 -0.44 0.23 1.63 0.00 0.00 0.00 179.25 180.29 2e7n n LYS 116 N -5.04 -0.06 0.00 0.00 4.76 0.10 -5.13 118.16 112.79 2e7n n LYS 116 Ca -0.07 1.28 0.00 0.00 -2.87 0.00 0.00 58.31 56.65 2e7n n LYS 116 Cb 0.05 -2.14 0.00 0.00 -1.84 0.00 0.00 35.03 31.10 2e7n n LYS 116 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91