#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 6.35 0.21 1.61 0.15 -1.26 -5.04 113.70 115.72 2e7n s SER 2 Ca 0.00 0.42 -0.29 0.00 0.70 0.00 0.00 55.95 56.77 2e7n s SER 2 Cb 0.00 -2.09 -0.16 0.00 -1.71 0.00 0.00 66.02 62.06 2e7n s SER 2 CO 0.00 0.33 0.77 -1.20 1.20 0.00 0.00 173.24 174.34 2e7n n SER 3 N 2.49 -0.15 -2.70 5.45 7.64 -1.26 -4.93 113.62 120.16 2e7n n SER 3 Ca -0.18 1.15 -0.06 0.00 1.01 0.00 0.00 58.87 60.78 2e7n n SER 3 Cb 0.54 -1.07 0.07 0.00 -1.01 0.00 0.00 64.21 62.74 2e7n n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e7n n GLY 4 N 1.74 -0.78 2.68 0.23 0.00 -1.26 -5.08 105.19 102.72 2e7n n GLY 4 Ca 0.15 0.55 -0.28 0.00 0.00 0.00 0.00 46.02 46.45 2e7n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e7n s SER 5 N -0.89 3.37 -1.00 1.61 0.15 -1.26 -5.05 113.70 110.63 2e7n s SER 5 Ca 0.27 -3.42 -0.23 0.00 0.70 0.00 0.00 55.95 53.26 2e7n s SER 5 Cb 0.24 -1.10 0.02 0.00 -1.71 0.00 0.00 66.02 63.46 2e7n s SER 5 CO -0.15 -0.14 1.62 -0.94 1.20 0.00 0.00 173.24 174.83 2e7n s SER 6 N -0.68 6.08 -0.08 5.45 1.04 -1.26 -4.52 113.70 119.73 2e7n s SER 6 Ca 0.27 -1.25 -0.04 0.00 0.48 0.00 0.00 55.95 55.41 2e7n s SER 6 Cb -0.03 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.53 2e7n s SER 6 CO -0.16 -1.90 0.07 0.61 0.98 0.00 0.00 173.24 172.84 2e7n n GLY 7 N 6.81 -0.39 3.83 7.32 0.00 -1.26 -5.01 105.19 116.49 2e7n n GLY 7 Ca 0.36 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 2e7n n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e7n s GLY 8 N -1.12 0.12 1.07 -0.02 0.00 -1.26 -5.18 107.32 100.93 2e7n s GLY 8 Ca 0.04 -0.48 -0.18 0.00 0.00 0.00 0.00 44.72 44.10 2e7n s GLY 8 CO 0.17 -0.03 1.28 0.54 0.00 0.00 0.00 173.10 175.05 2e7n s LYS 9 N -3.04 -0.24 0.27 2.90 3.01 -1.26 -4.97 119.74 116.41 2e7n s LYS 9 Ca 0.14 -0.42 -0.31 0.00 -1.01 0.00 0.00 55.97 54.38 2e7n s LYS 9 Cb -0.05 -1.74 -0.12 0.00 -1.01 0.00 0.00 37.83 34.91 2e7n s LYS 9 CO 0.09 -3.00 1.65 1.28 0.51 0.00 0.00 175.35 175.87 2e7n n LEU 10 N -4.18 4.33 -4.54 3.17 4.32 -1.26 -4.86 117.00 113.98 2e7n n LEU 10 Ca 0.16 1.12 -0.53 0.00 -0.02 0.00 0.00 56.01 56.74 2e7n n LEU 10 Cb 0.59 -1.60 -0.06 0.00 -1.62 0.00 0.00 43.42 40.74 2e7n n LEU 10 CO 0.43 0.20 0.68 -0.24 -1.22 0.00 0.00 177.39 177.24 2e7n n SER 11 N 2.70 0.81 -0.24 -1.43 2.88 -1.26 -4.45 113.62 112.64 2e7n n SER 11 Ca 0.11 1.14 0.18 0.00 -1.33 0.00 0.00 58.87 58.97 2e7n n SER 11 Cb 0.36 -1.09 0.34 0.00 -0.75 0.00 0.00 64.21 63.08 2e7n n SER 11 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2e7n n GLU 12 N 1.90 -0.05 -0.04 -1.46 0.28 -1.26 0.13 120.64 120.14 2e7n n GLU 12 Ca 0.18 1.02 -0.14 0.00 -0.16 0.00 0.00 57.16 58.06 2e7n n GLU 12 Cb 0.17 -1.74 -0.11 0.00 1.43 0.00 0.00 31.44 31.18 2e7n n GLU 12 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2e7n h HIS 13 N 0.00 0.11 -0.64 -1.84 3.86 -2.00 -3.32 115.15 111.32 2e7n h HIS 13 Ca 0.54 -0.06 0.13 0.00 -1.16 0.00 0.00 60.37 59.82 2e7n h HIS 13 Cb 1.33 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 29.66 2e7n h HIS 13 CO -0.15 0.83 -0.14 -0.07 0.86 0.00 0.00 177.93 179.26 2e7n h LEU 14 N -0.64 -0.56 -0.43 2.43 3.38 0.80 -1.02 115.31 119.28 2e7n h LEU 14 Ca -0.01 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.19 2e7n h LEU 14 Cb 0.85 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 2e7n h LEU 14 CO 0.02 -0.20 -0.25 0.54 0.09 0.00 0.00 178.44 178.63 2e7n n ARG 15 N -5.42 -0.19 -0.26 1.13 1.74 -0.24 0.09 116.66 113.51 2e7n n ARG 15 Ca 0.08 1.17 -0.04 0.00 -0.77 0.00 0.00 57.85 58.29 2e7n n ARG 15 Cb 0.34 -1.74 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 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 0.89 -0.99 -1.55 5.03 -1.56 -2.25 116.97 116.54 2e7n h TYR 16 Ca 0.07 0.02 0.17 0.00 2.58 0.00 0.00 58.73 61.57 2e7n h TYR 16 Cb 0.18 -0.30 -0.10 0.00 1.55 0.00 0.00 36.73 38.06 2e7n h TYR 16 CO -0.93 0.55 0.60 0.00 -1.32 0.00 0.00 178.16 177.05 2e7n h ASP 18 N 0.82 0.36 -0.01 0.00 1.82 0.29 0.12 116.42 119.82 2e7n h ASP 18 Ca 0.54 0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 57.28 2e7n h ASP 18 Cb 0.75 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.85 2e7n h ASP 18 CO -0.35 -0.07 -0.11 0.28 -1.61 0.00 0.00 179.24 177.38 2e7n h SER 19 N 0.23 0.12 -1.87 2.28 0.02 -1.14 -3.20 113.55 110.00 2e7n h SER 19 Ca 0.72 -0.70 0.54 0.00 -0.84 0.00 0.00 61.79 61.51 2e7n h SER 19 Cb 2.04 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 64.47 2e7n h SER 19 CO -0.40 0.81 1.35 -0.38 -1.14 0.00 0.00 176.83 177.07 2e7n n ILE 20 N -4.64 0.00 -0.03 3.27 5.41 0.42 0.12 119.36 123.90 2e7n n ILE 20 Ca -0.09 1.40 -0.18 0.00 1.00 0.00 0.00 62.75 64.89 2e7n n ILE 20 Cb 0.41 -2.34 -0.13 0.00 -0.71 0.00 0.00 39.64 36.86 2e7n n ILE 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2e7n h LEU 21 N 0.00 0.17 -1.85 1.39 5.85 -1.53 -3.11 115.31 116.22 2e7n h LEU 21 Ca 0.89 -0.90 0.10 0.00 0.84 0.00 0.00 57.88 58.80 2e7n h LEU 21 Cb 3.58 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 44.53 2e7n h LEU 21 CO -0.01 1.24 0.32 0.08 -0.34 0.00 0.00 178.44 179.73 2e7n h ARG 22 N -0.75 0.16 0.07 1.25 0.11 0.90 -1.98 114.38 114.13 2e7n h ARG 22 Ca -0.12 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.95 2e7n h ARG 22 Cb 1.30 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2e7n h ARG 22 CO 0.02 0.11 -0.03 1.49 0.10 0.00 0.00 179.97 181.65 2e7n h GLU 23 N 0.16 -0.09 -0.18 0.08 4.57 -1.19 -3.12 114.58 114.82 2e7n h GLU 23 Ca 0.21 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.45 2e7n h GLU 23 Cb 0.63 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2e7n h GLU 23 CO -0.03 0.43 0.22 0.52 -1.18 0.00 0.00 179.01 178.97 2e7n h MET 24 N -0.68 0.00 -0.89 1.92 2.86 -1.34 0.17 114.93 116.98 2e7n h MET 24 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 2e7n h MET 24 Cb 0.56 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.10 2e7n h MET 24 CO 0.02 0.00 0.26 1.28 1.06 0.00 0.00 176.91 179.53 2e7n n LEU 25 N -3.71 5.00 -4.85 1.22 4.77 -0.80 -4.46 117.00 114.18 2e7n n LEU 25 Ca 0.02 -2.61 -0.37 0.00 -0.03 0.00 0.00 56.01 53.02 2e7n n LEU 25 Cb 0.34 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2e7n n LEU 25 CO 0.26 0.72 0.09 -0.94 -1.33 0.00 0.00 177.39 176.19 2e7n s SER 26 N -0.54 6.74 0.30 -1.43 1.04 0.60 -4.91 113.70 115.50 2e7n s SER 26 Ca 0.38 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2e7n s SER 26 Cb 0.31 -2.22 0.71 0.00 0.10 0.00 0.00 66.02 64.91 2e7n s SER 26 CO 0.09 0.27 1.57 0.11 0.98 0.00 0.00 173.24 176.26 2e7n h LYS 27 N 4.36 0.00 -0.27 4.02 1.79 -1.91 0.36 116.57 124.92 2e7n h LYS 27 Ca -0.51 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.00 2e7n h LYS 27 Cb 1.21 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.79 2e7n h LYS 27 CO 0.63 0.00 -0.53 -0.22 -1.08 0.00 0.00 179.45 178.25 2e7n h LYS 28 N 0.00 -0.45 -0.03 3.15 3.64 -1.93 -0.50 116.57 120.46 2e7n h LYS 28 Ca 0.58 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.91 2e7n h LYS 28 Cb 1.15 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2e7n h LYS 28 CO -0.95 -0.30 -0.37 0.45 -2.27 0.00 0.00 179.45 176.01 2e7n h HIS 29 N -0.46 0.06 -0.77 1.91 3.86 -1.14 -3.21 115.15 115.40 2e7n h HIS 29 Ca 0.05 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.40 2e7n h HIS 29 Cb 0.61 -0.02 -0.15 0.00 1.06 0.00 0.00 27.41 28.92 2e7n h HIS 29 CO -0.66 0.42 -0.19 0.00 0.86 0.00 0.00 177.93 178.36 2e7n n ALA 30 N -2.47 0.18 -0.33 2.45 0.00 0.10 0.11 120.51 120.55 2e7n n ALA 30 Ca -0.02 0.84 0.04 0.00 0.00 0.00 0.00 53.44 54.31 2e7n n ALA 30 Cb 0.42 -0.50 0.12 0.00 0.00 0.00 0.00 19.45 19.48 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 1.53 0.58 -0.13 0.00 0.00 -1.55 0.25 119.26 119.94 2e7n h ALA 31 Ca 0.37 0.35 -0.05 0.00 0.00 0.00 0.00 54.91 55.58 2e7n h ALA 31 Cb 0.56 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2e7n h ALA 31 CO -0.79 -0.40 -0.21 2.48 0.00 0.00 0.00 179.25 180.33 2e7n n TYR 32 N -5.58 0.41 -0.74 0.00 0.18 0.25 -4.50 117.16 107.18 2e7n n TYR 32 Ca 0.14 -1.34 0.00 0.00 1.88 0.00 0.00 57.90 58.58 2e7n n TYR 32 Cb 0.46 -0.30 0.00 0.00 -0.38 0.00 0.00 39.34 39.12 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 -1.13 0.88 0.06 -3.48 0.00 0.30 -4.21 120.51 112.94 2e7n n ALA 33 Ca 0.23 -0.32 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 2e7n n ALA 33 Cb 0.80 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.13 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 -0.18 0.00 5.08 -0.82 -3.26 115.95 116.77 2e7n h TRP 34 Ca 0.00 0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.02 2e7n h TRP 34 Cb 0.56 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.71 2e7n h TRP 34 CO 0.00 0.99 0.64 -1.35 -1.28 0.00 0.00 178.44 177.45 2e7n h PRO 35 N 0.00 0.00 -1.12 0.12 0.11 -1.86 0.37 132.00 129.62 2e7n h PRO 35 Ca -0.01 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.52 2e7n h PRO 35 Cb 1.77 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 32.46 2e7n h PRO 35 CO 0.13 0.00 -0.64 1.19 -0.21 0.00 0.00 178.00 178.47 2e7n n PHE 36 N -2.95 3.05 -0.09 0.65 3.01 -1.23 -4.71 117.46 115.21 2e7n n PHE 36 Ca 0.03 -2.63 -0.18 0.00 1.01 0.00 0.00 57.45 55.68 2e7n n PHE 36 Cb 0.73 -0.32 -0.06 0.00 -0.01 0.00 0.00 39.48 39.82 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 -0.62 0.00 -3.58 1.38 4.02 0.13 -3.41 117.16 115.07 2e7n n TYR 37 Ca 0.43 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.98 2e7n n TYR 37 Cb 0.80 -0.63 -0.05 0.00 -0.02 0.00 0.00 39.34 39.44 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 -2.32 3.74 0.08 -0.72 -0.14 -1.26 -4.57 119.74 114.54 2e7n s LYS 38 Ca -0.24 0.15 -0.31 0.00 -1.36 0.00 0.00 55.97 54.21 2e7n s LYS 38 Cb 0.09 -2.96 -0.07 0.00 -1.68 0.00 0.00 37.83 33.21 2e7n s LYS 38 CO 0.32 0.54 1.39 -1.25 -0.76 0.00 0.00 175.35 175.58 2e7n s PRO 39 N -2.04 4.31 0.43 -1.68 0.04 -1.26 -5.01 135.00 129.79 2e7n s PRO 39 Ca 0.35 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.21 2e7n s PRO 39 Cb -0.14 -3.36 -0.11 0.00 0.04 0.00 0.00 34.50 30.93 2e7n s PRO 39 CO 0.19 -0.47 0.94 0.54 0.04 0.00 0.00 177.00 178.24 2e7n s VAL 40 N 1.53 4.41 -0.25 -0.36 0.11 -1.26 -5.06 120.40 119.51 2e7n s VAL 40 Ca 0.64 1.45 -0.02 0.00 -2.93 0.00 0.00 61.98 61.13 2e7n s VAL 40 Cb -0.35 -3.61 0.12 0.00 -1.53 0.00 0.00 36.38 31.02 2e7n s VAL 40 CO 0.29 -0.33 0.29 -0.62 -3.33 0.00 0.00 175.10 171.40 2e7n s ASP 41 N -2.22 1.29 0.15 3.54 2.15 -1.26 -5.03 116.67 115.28 2e7n s ASP 41 Ca 0.62 -0.40 -0.18 0.00 0.43 0.00 0.00 52.55 53.02 2e7n s ASP 41 Cb -0.09 0.59 0.04 0.00 -0.30 0.00 0.00 42.92 43.16 2e7n s ASP 41 CO 0.14 -0.35 1.71 0.00 -0.17 0.00 0.00 175.17 176.50 2e7n h ALA 42 N 8.26 0.28 -0.41 3.66 0.00 -1.96 0.18 119.26 129.27 2e7n h ALA 42 Ca -0.15 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2e7n h ALA 42 Cb 1.12 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2e7n h ALA 42 CO 0.31 -0.40 0.04 0.93 0.00 0.00 0.00 179.25 180.13 2e7n h GLU 43 N 0.10 0.16 0.47 0.00 4.39 -1.96 -2.92 114.58 114.82 2e7n h GLU 43 Ca 0.15 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 2e7n h GLU 43 Cb 0.19 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2e7n h GLU 43 CO -0.24 0.10 -0.23 0.00 -1.16 0.00 0.00 179.01 177.49 2e7n h ALA 44 N 1.33 -0.64 -2.36 3.43 0.00 -1.85 -3.45 119.26 115.72 2e7n h ALA 44 Ca 0.20 -0.19 -0.48 0.00 0.00 0.00 0.00 54.91 54.44 2e7n h ALA 44 Cb 0.26 0.25 0.14 0.00 0.00 0.00 0.00 17.79 18.44 2e7n h ALA 44 CO -0.29 -0.74 0.27 -0.51 0.00 0.00 0.00 179.25 177.97 2e7n s LEU 45 N -9.69 2.28 -1.20 0.00 2.01 0.58 -4.95 118.68 107.71 2e7n s LEU 45 Ca -0.15 1.39 -0.11 0.00 0.01 0.00 0.00 54.13 55.27 2e7n s LEU 45 Cb 0.02 -3.84 0.20 0.00 0.01 0.00 0.00 46.19 42.58 2e7n s LEU 45 CO 0.54 -2.51 1.47 -0.62 1.01 0.00 0.00 176.35 176.25 2e7n n GLU 46 N -3.79 3.52 -4.86 1.70 4.71 -1.26 -4.79 120.64 115.87 2e7n n GLU 46 Ca 0.07 -3.94 -0.29 0.00 -0.01 0.00 0.00 57.16 52.99 2e7n n GLU 46 Cb 0.56 -2.90 -0.17 0.00 -1.01 0.00 0.00 31.44 27.92 2e7n n GLU 46 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2e7n s LEU 47 N 0.46 1.87 0.13 -4.62 1.43 -1.26 -5.03 118.68 111.67 2e7n s LEU 47 Ca 0.39 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 2e7n s LEU 47 Cb -0.01 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 2e7n s LEU 47 CO -0.00 0.09 1.61 0.45 0.23 0.00 0.00 176.35 178.72 2e7n h HIS 48 N 6.91 0.77 -2.08 0.29 3.86 -1.93 -3.44 115.15 119.54 2e7n h HIS 48 Ca -0.26 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 58.80 2e7n h HIS 48 Cb 1.21 -0.21 -0.26 0.00 1.06 0.00 0.00 27.41 29.21 2e7n h HIS 48 CO 0.48 0.74 -0.33 -0.51 0.86 0.00 0.00 177.93 179.17 2e7n s ASP 49 N -6.14 -0.48 -0.12 2.45 1.01 -1.26 -5.05 116.67 107.08 2e7n s ASP 49 Ca -0.13 0.94 -0.08 0.00 0.71 0.00 0.00 52.55 53.99 2e7n s ASP 49 Cb 0.10 1.61 -0.05 0.00 1.01 0.00 0.00 42.92 45.59 2e7n s ASP 49 CO 0.79 -0.25 -0.19 0.00 0.21 0.00 0.00 175.17 175.73 2e7n n TYR 50 N 5.40 0.00 -0.30 4.23 9.36 -1.26 -4.66 117.16 129.93 2e7n n TYR 50 Ca -0.07 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.11 2e7n n TYR 50 Cb 0.50 -0.45 0.10 0.00 -0.63 0.00 0.00 39.34 38.86 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 -0.54 1.20 -0.89 2.98 3.86 -1.96 -1.84 115.15 117.95 2e7n h HIS 51 Ca -0.25 -0.05 0.12 0.00 -1.16 0.00 0.00 60.37 59.03 2e7n h HIS 51 Cb 1.06 -0.37 -0.14 0.00 1.06 0.00 0.00 27.41 29.02 2e7n h HIS 51 CO -0.11 0.86 -0.44 -0.44 0.86 0.00 0.00 177.93 178.66 2e7n h ASP 52 N 1.19 -1.60 -0.03 2.45 5.19 -1.96 -1.30 116.42 120.37 2e7n h ASP 52 Ca 0.29 0.30 -0.12 0.00 -0.62 0.00 0.00 57.03 56.88 2e7n h ASP 52 Cb 0.10 0.78 0.01 0.00 0.18 0.00 0.00 39.33 40.40 2e7n h ASP 52 CO -0.04 -0.29 -0.44 0.40 -3.12 0.00 0.00 179.24 175.75 2e7n h ILE 53 N -0.05 1.44 -3.57 0.35 2.04 -1.80 -3.40 117.51 112.53 2e7n h ILE 53 Ca 0.26 -1.92 -0.78 0.00 1.00 0.00 0.00 64.86 63.43 2e7n h ILE 53 Cb 0.55 2.50 -0.26 0.00 -0.74 0.00 0.00 36.82 38.87 2e7n h ILE 53 CO -0.90 0.55 -0.03 -0.63 0.00 0.00 0.00 178.15 177.14 2e7n s ILE 54 N -3.38 5.41 0.22 -0.67 -1.09 -0.51 -4.92 121.20 116.26 2e7n s ILE 54 Ca -0.14 -2.15 -0.07 0.00 -2.23 0.00 0.00 60.65 56.05 2e7n s ILE 54 Cb 0.03 -4.39 0.17 0.00 -1.58 0.00 0.00 42.46 36.70 2e7n s ILE 54 CO 0.79 -0.97 1.77 0.11 -1.23 0.00 0.00 174.94 175.41 2e7n h LYS 55 N 8.14 0.53 -3.38 2.79 1.79 -1.72 -3.37 116.57 121.35 2e7n h LYS 55 Ca -0.04 -0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.83 2e7n h LYS 55 Cb 1.06 -0.12 -0.40 0.00 -1.58 0.00 0.00 32.23 31.19 2e7n h LYS 55 CO 0.85 0.35 -0.76 -1.01 -1.08 0.00 0.00 179.45 177.80 2e7n s HIS 56 N -6.06 1.44 0.34 -1.35 3.76 -1.26 -5.02 115.29 107.14 2e7n s HIS 56 Ca -0.13 -1.60 -0.28 0.00 -0.15 0.00 0.00 55.06 52.91 2e7n s HIS 56 Cb 0.18 -1.56 -0.10 0.00 1.11 0.00 0.00 32.58 32.21 2e7n s HIS 56 CO 0.76 -0.87 1.22 -1.25 -0.85 0.00 0.00 174.74 173.75 2e7n s PRO 57 N 1.66 4.35 0.28 8.40 0.04 -1.26 -4.97 135.00 143.49 2e7n s PRO 57 Ca 0.10 2.01 0.12 0.00 0.04 0.00 0.00 61.00 63.27 2e7n s PRO 57 Cb -0.17 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 2e7n s PRO 57 CO -0.26 -0.12 -0.18 1.41 0.04 0.00 0.00 177.00 177.89 2e7n s MET 58 N -1.84 1.75 -0.17 4.56 1.75 -1.26 -5.05 119.30 119.04 2e7n s MET 58 Ca 0.50 -1.72 -0.30 0.00 -1.25 0.00 0.00 55.69 52.92 2e7n s MET 58 Cb -0.35 -1.82 0.13 0.00 2.84 0.00 0.00 34.83 35.63 2e7n s MET 58 CO 0.46 0.34 1.04 0.16 -0.65 0.00 0.00 175.02 176.37 2e7n s ASP 59 N -3.51 -0.33 0.27 1.11 1.47 -1.26 -4.83 116.67 109.59 2e7n s ASP 59 Ca 0.30 0.34 -0.01 0.00 1.18 0.00 0.00 52.55 54.36 2e7n s ASP 59 Cb -0.05 0.27 0.48 0.00 -0.34 0.00 0.00 42.92 43.28 2e7n s ASP 59 CO 0.15 -0.31 1.83 -0.07 0.68 0.00 0.00 175.17 177.45 2e7n h LEU 60 N 2.47 0.83 -1.99 2.11 3.38 -1.90 -0.34 115.31 119.87 2e7n h LEU 60 Ca -0.17 0.05 0.37 0.00 0.09 0.00 0.00 57.88 58.22 2e7n h LEU 60 Cb 1.17 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 2e7n h LEU 60 CO 0.30 0.46 0.93 0.77 0.09 0.00 0.00 178.44 180.99 2e7n h SER 61 N 0.93 0.00 0.12 -0.43 4.64 -1.81 0.20 113.55 117.20 2e7n h SER 61 Ca 0.45 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.46 2e7n h SER 61 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2e7n h SER 61 CO -0.25 0.00 -1.66 0.74 -0.87 0.00 0.00 176.83 174.78 2e7n h THR 62 N 0.00 0.86 -0.80 2.95 2.02 -1.48 -3.15 112.91 113.31 2e7n h THR 62 Ca 0.62 -2.38 0.03 0.00 0.77 0.00 0.00 66.41 65.44 2e7n h THR 62 Cb 2.47 2.61 -0.05 0.00 -1.74 0.00 0.00 68.15 71.44 2e7n h THR 62 CO -0.01 0.77 0.52 0.58 0.37 0.00 0.00 175.52 177.74 2e7n h VAL 63 N -0.16 1.13 -0.19 3.16 2.07 -0.41 0.20 116.25 122.05 2e7n h VAL 63 Ca -0.36 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 2e7n h VAL 63 Cb 1.88 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2e7n h VAL 63 CO 0.07 0.18 -0.08 0.50 0.02 0.00 0.00 177.57 178.26 2e7n h LYS 64 N 1.01 0.40 0.03 1.57 1.63 -0.98 -0.84 116.57 119.40 2e7n h LYS 64 Ca 0.32 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2e7n h LYS 64 Cb -0.00 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2e7n h LYS 64 CO -0.11 0.69 -0.02 0.00 -3.45 0.00 0.00 179.45 176.56 2e7n h ARG 65 N 0.10 -0.04 0.10 1.90 2.47 -1.44 0.22 114.38 117.68 2e7n h ARG 65 Ca 0.04 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2e7n h ARG 65 Cb 0.56 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2e7n h ARG 65 CO 0.03 0.07 -0.06 0.87 0.56 0.00 0.00 179.97 181.44 2e7n h LYS 66 N -0.15 -0.15 -0.69 0.04 1.57 -0.65 -2.58 116.57 113.96 2e7n h LYS 66 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2e7n h LYS 66 Cb 0.14 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2e7n h LYS 66 CO 0.01 -0.10 0.37 1.98 -0.57 0.00 0.00 179.45 181.14 2e7n h MET 67 N -0.16 0.95 -0.40 3.15 4.05 -1.10 0.48 114.93 121.91 2e7n h MET 67 Ca -0.01 -0.10 0.08 0.00 -0.28 0.00 0.00 59.70 59.39 2e7n h MET 67 Cb 0.13 -0.19 -0.08 0.00 -0.80 0.00 0.00 31.60 30.66 2e7n h MET 67 CO 0.01 0.70 -0.13 0.22 0.23 0.00 0.00 176.91 177.94 2e7n h ASP 68 N 0.96 -0.45 -0.51 1.39 3.58 -0.16 0.17 116.42 121.40 2e7n h ASP 68 Ca 0.24 0.13 -0.23 0.00 0.42 0.00 0.00 57.03 57.59 2e7n h ASP 68 Cb 0.03 0.28 -0.14 0.00 1.72 0.00 0.00 39.33 41.22 2e7n h ASP 68 CO -0.04 -0.16 0.29 0.61 -2.88 0.00 0.00 179.24 177.06 2e7n n GLY 69 N -1.33 3.17 3.20 -0.78 0.00 -1.06 -4.86 105.19 103.53 2e7n n GLY 69 Ca 0.02 -0.59 -0.17 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 -0.26 -2.46 -0.10 1.61 3.00 0.05 -4.76 116.66 113.74 2e7n n ARG 70 Ca 0.30 0.20 0.07 0.00 -0.01 0.00 0.00 57.85 58.40 2e7n n ARG 70 Cb 1.08 -4.78 0.41 0.00 0.00 0.00 0.00 32.46 29.17 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 -0.44 0.60 -6.52 5.56 4.39 -1.12 -3.41 114.58 113.64 2e7n h GLU 71 Ca -0.27 -0.04 -0.53 0.00 0.34 0.00 0.00 59.36 58.86 2e7n h GLU 71 Cb 1.18 -0.13 0.02 0.00 -0.10 0.00 0.00 28.75 29.72 2e7n h GLU 71 CO 0.38 0.39 0.71 0.71 -1.16 0.00 0.00 179.01 180.04 2e7n s TYR 72 N -5.55 3.24 0.23 4.33 2.02 -1.26 -4.93 117.35 115.43 2e7n s TYR 72 Ca -0.09 1.00 -0.00 0.00 -0.37 0.00 0.00 57.07 57.61 2e7n s TYR 72 Cb 0.19 -3.64 0.24 0.00 -0.40 0.00 0.00 41.96 38.35 2e7n s TYR 72 CO 0.75 -2.21 1.59 -1.00 -1.57 0.00 0.00 175.55 173.12 2e7n h PRO 73 N 6.90 0.50 0.00 -1.71 0.13 -1.94 -3.48 132.00 132.40 2e7n h PRO 73 Ca -0.42 -0.26 -0.13 0.00 -0.87 0.00 0.00 66.00 64.32 2e7n h PRO 73 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2e7n h PRO 73 CO 0.86 0.84 0.09 -0.40 -0.23 0.00 0.00 178.00 179.16 2e7n n ASP 74 N -4.01 -1.80 -0.24 1.44 5.75 -1.26 -4.71 116.55 111.72 2e7n n ASP 74 Ca -0.02 -2.64 0.01 0.00 -0.01 0.00 0.00 54.79 52.14 2e7n n ASP 74 Cb 0.53 3.12 0.13 0.00 -1.03 0.00 0.00 41.12 43.87 2e7n n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2e7n h ALA 75 N 2.00 0.94 -0.81 2.12 0.00 -1.90 -1.29 119.26 120.33 2e7n h ALA 75 Ca -0.29 0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.80 2e7n h ALA 75 Cb 1.16 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2e7n h ALA 75 CO 0.38 -0.10 0.43 1.96 0.00 0.00 0.00 179.25 181.93 2e7n h GLN 76 N 0.54 0.67 -0.44 0.00 7.50 -1.98 0.15 115.11 121.54 2e7n h GLN 76 Ca 0.35 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 59.43 2e7n h GLN 76 Cb 0.40 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 2e7n h GLN 76 CO -0.29 0.44 0.18 0.78 -1.50 0.00 0.00 178.83 178.44 2e7n h GLY 77 N 0.69 0.71 0.78 3.46 0.00 -1.65 0.17 103.07 107.24 2e7n h GLY 77 Ca 0.41 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2e7n h GLY 77 CO -0.29 0.36 -0.18 -2.75 0.00 0.00 0.00 176.54 173.68 2e7n h PHE 78 N 0.57 -0.47 -0.70 5.60 3.57 -0.92 -3.17 116.94 121.42 2e7n h PHE 78 Ca 0.15 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2e7n h PHE 78 Cb 0.19 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2e7n h PHE 78 CO 0.00 -0.18 0.45 0.00 -2.23 0.00 0.00 178.31 176.35 2e7n h ALA 79 N -0.21 0.89 -0.73 2.41 0.00 -1.00 -3.05 119.26 117.58 2e7n h ALA 79 Ca -0.05 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2e7n h ALA 79 Cb 0.51 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 2e7n h ALA 79 CO 0.09 0.26 -0.38 0.00 0.00 0.00 0.00 179.25 179.22 2e7n n ALA 80 N -2.30 -0.34 0.08 0.00 0.00 0.60 0.35 120.51 118.90 2e7n n ALA 80 Ca 0.07 0.65 -0.12 0.00 0.00 0.00 0.00 53.44 54.04 2e7n n ALA 80 Cb 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.27 2e7n n ALA 80 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2e7n h ASP 81 N 0.00 -0.59 -0.55 0.00 5.19 -1.61 -2.26 116.42 116.60 2e7n h ASP 81 Ca 0.16 0.08 0.10 0.00 -0.62 0.00 0.00 57.03 56.74 2e7n h ASP 81 Cb 0.34 0.23 -0.11 0.00 0.18 0.00 0.00 39.33 39.98 2e7n h ASP 81 CO -0.70 -0.28 -0.36 0.58 -3.12 0.00 0.00 179.24 175.36 2e7n h VAL 82 N -0.35 0.15 -0.05 -1.35 2.07 -0.15 -1.40 116.25 115.17 2e7n h VAL 82 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2e7n h VAL 82 Cb 0.40 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 2e7n h VAL 82 CO -0.15 0.00 -0.35 0.03 0.02 0.00 0.00 177.57 177.12 2e7n h ARG 83 N -0.20 -0.46 -0.57 1.57 3.08 -0.82 -2.56 114.38 114.44 2e7n h ARG 83 Ca 0.21 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.37 2e7n h ARG 83 Cb 0.56 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 30.61 2e7n h ARG 83 CO -0.66 -0.30 -0.45 1.25 -1.07 0.00 0.00 179.97 178.74 2e7n h LEU 84 N -0.47 -1.54 -0.95 3.04 6.46 -0.70 0.23 115.31 121.37 2e7n h LEU 84 Ca 0.07 0.25 0.30 0.00 -0.12 0.00 0.00 57.88 58.38 2e7n h LEU 84 Cb 0.58 0.69 -0.16 0.00 -0.73 0.00 0.00 40.66 41.04 2e7n h LEU 84 CO -0.31 -0.34 0.34 -0.03 -0.62 0.00 0.00 178.44 177.48 2e7n h MET 85 N -0.24 0.16 -0.36 1.25 4.05 -0.92 0.90 114.93 119.77 2e7n h MET 85 Ca 0.17 -0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.45 2e7n h MET 85 Cb 0.56 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2e7n h MET 85 CO -0.68 0.10 -0.31 0.74 0.23 0.00 0.00 176.91 177.00 2e7n h PHE 86 N 0.16 0.90 -0.20 1.39 0.04 -0.39 -2.53 116.94 116.32 2e7n h PHE 86 Ca 0.66 -0.24 -0.13 0.00 2.80 0.00 0.00 57.97 61.07 2e7n h PHE 86 Cb 1.50 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 2e7n h PHE 86 CO -0.19 0.98 -0.44 0.66 -0.60 0.00 0.00 178.31 178.72 2e7n h SER 87 N 0.66 0.51 0.60 2.17 4.64 0.19 -2.63 113.55 119.68 2e7n h SER 87 Ca 0.07 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 2e7n h SER 87 Cb 0.84 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2e7n h SER 87 CO 0.07 0.88 -0.29 0.78 -0.87 0.00 0.00 176.83 177.41 2e7n h ASN 88 N 0.39 -0.68 -0.86 4.97 2.35 -0.26 -0.66 115.58 120.83 2e7n h ASN 88 Ca 0.03 -0.03 0.17 0.00 -0.55 0.00 0.00 56.30 55.92 2e7n h ASN 88 Cb 0.92 0.18 -0.06 0.00 0.05 0.00 0.00 38.32 39.41 2e7n h ASN 88 CO 0.08 -0.33 0.56 0.00 -1.65 0.00 0.00 177.43 176.09 2e7n h TYR 90 N 0.53 0.00 0.00 0.00 0.05 -1.36 -2.97 116.97 113.22 2e7n h TYR 90 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.22 2e7n h TYR 90 Cb 0.91 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.65 2e7n h TYR 90 CO -0.00 0.35 -0.15 -0.22 -1.05 0.00 0.00 178.16 177.09 2e7n h LYS 91 N 0.00 0.00 -0.00 4.88 3.64 0.12 -3.43 116.57 121.78 2e7n h LYS 91 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2e7n h LYS 91 Cb 1.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2e7n h LYS 91 CO 0.05 0.00 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.30 2e7n h TYR 92 N -0.36 -0.00 -3.90 1.91 3.20 -0.39 -3.41 116.97 114.02 2e7n h TYR 92 Ca 0.00 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.34 2e7n h TYR 92 Cb 0.15 0.00 0.08 0.00 1.54 0.00 0.00 36.73 38.50 2e7n h TYR 92 CO -0.06 -0.00 0.67 -0.80 -1.64 0.00 0.00 178.16 176.33 2e7n s ASN 93 N -2.60 6.61 0.99 -2.11 0.01 -1.12 -5.01 114.94 111.72 2e7n s ASN 93 Ca -0.00 2.78 -0.12 0.00 -0.71 0.00 0.00 52.86 54.81 2e7n s ASN 93 Cb 0.00 -2.65 0.18 0.00 0.41 0.00 0.00 41.25 39.19 2e7n s ASN 93 CO 0.00 -0.65 1.09 -2.16 -1.51 0.00 0.00 177.10 173.87 2e7n s PRO 94 N -1.92 0.49 0.00 -0.60 0.04 -1.26 -4.64 135.00 127.11 2e7n s PRO 94 Ca 0.51 0.54 0.15 0.00 0.04 0.00 0.00 61.00 62.25 2e7n s PRO 94 Cb -0.41 -1.74 0.89 0.00 0.04 0.00 0.00 34.50 33.28 2e7n s PRO 94 CO 0.55 -2.70 1.36 -0.35 0.04 0.00 0.00 177.00 175.91 2e7n n PRO 95 N -4.16 0.43 -0.10 0.56 -0.04 -1.26 -2.42 135.00 128.01 2e7n n PRO 95 Ca 0.05 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 2e7n n PRO 95 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2e7n n PRO 95 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2e7n n ASP 96 N -1.06 0.90 -4.58 3.54 8.00 -1.26 -4.98 116.55 117.11 2e7n n ASP 96 Ca 0.11 -0.03 -0.56 0.00 0.71 0.00 0.00 54.79 55.01 2e7n n ASP 96 Cb 0.07 0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 41.71 2e7n n ASP 96 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2e7n n HIS 97 N -2.81 1.25 0.03 1.24 -0.00 -1.02 -4.86 115.22 109.05 2e7n n HIS 97 Ca -0.33 0.82 -0.12 0.00 0.46 0.00 0.00 57.72 58.55 2e7n n HIS 97 Cb 1.06 -2.25 -0.07 0.00 -0.12 0.00 0.00 29.99 28.61 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 4.23 0.02 -1.25 1.57 4.11 -1.93 -2.57 114.58 118.75 2e7n h GLU 98 Ca -0.49 -0.00 0.43 0.00 0.07 0.00 0.00 59.36 59.37 2e7n h GLU 98 Cb 1.37 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.48 2e7n h GLU 98 CO 0.76 0.07 0.79 -0.24 0.07 0.00 0.00 179.01 180.45 2e7n h VAL 99 N -0.03 0.11 -0.88 -1.06 3.04 -1.97 0.81 116.25 116.27 2e7n h VAL 99 Ca 0.00 -0.03 0.12 0.00 -1.01 0.00 0.00 66.70 65.78 2e7n h VAL 99 Cb 0.05 0.01 -0.08 0.00 -2.01 0.00 0.00 31.29 29.26 2e7n h VAL 99 CO -0.00 0.02 0.50 0.58 -1.01 0.00 0.00 177.57 177.66 2e7n h VAL 100 N 0.09 0.86 -0.21 1.51 2.07 -1.79 0.29 116.25 119.07 2e7n h VAL 100 Ca 0.82 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 68.02 2e7n h VAL 100 Cb 2.47 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2e7n h VAL 100 CO -0.49 0.15 -0.11 0.00 0.02 0.00 0.00 177.57 177.14 2e7n h ALA 101 N 1.50 1.43 -0.23 1.67 0.00 0.53 -2.72 119.26 121.44 2e7n h ALA 101 Ca 0.44 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 2e7n h ALA 101 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2e7n h ALA 101 CO -0.28 0.40 -0.62 0.52 0.00 0.00 0.00 179.25 179.26 2e7n h MET 102 N 0.32 0.80 -0.75 0.00 2.86 -0.92 -3.13 114.93 114.11 2e7n h MET 102 Ca 0.07 -0.55 0.07 0.00 -2.06 0.00 0.00 59.70 57.22 2e7n h MET 102 Cb 0.39 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 2e7n h MET 102 CO 0.02 1.18 0.49 0.00 1.06 0.00 0.00 176.91 179.66 2e7n h ALA 103 N 0.70 1.69 0.83 6.32 0.00 -0.90 -2.83 119.26 125.07 2e7n h ALA 103 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2e7n h ALA 103 Cb 1.23 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2e7n h ALA 103 CO 0.13 0.18 -0.40 0.00 0.00 0.00 0.00 179.25 179.17 2e7n h ARG 104 N 0.78 -1.07 -0.92 0.00 3.08 -1.47 -1.57 114.38 113.20 2e7n h ARG 104 Ca 0.33 0.07 0.28 0.00 0.07 0.00 0.00 59.98 60.73 2e7n h ARG 104 Cb 0.28 0.24 -0.17 0.00 0.08 0.00 0.00 29.97 30.40 2e7n h ARG 104 CO -0.11 -0.71 0.12 1.63 -1.07 0.00 0.00 179.97 179.83 2e7n n LYS 105 N -5.55 -0.07 -0.04 0.04 5.02 -1.07 0.66 118.16 117.15 2e7n n LYS 105 Ca -0.15 1.36 -0.13 0.00 -2.02 0.00 0.00 58.31 57.37 2e7n n LYS 105 Cb 0.45 -2.21 -0.08 0.00 -0.02 0.00 0.00 35.03 33.17 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 0.22 -0.73 -0.35 5.85 -1.47 -3.19 115.31 115.63 2e7n h LEU 106 Ca 0.60 -0.45 0.15 0.00 0.84 0.00 0.00 57.88 59.02 2e7n h LEU 106 Cb 1.34 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.21 2e7n h LEU 106 CO -0.83 0.63 0.25 -0.61 -0.34 0.00 0.00 178.44 177.53 2e7n h GLN 107 N -0.19 0.36 -0.90 1.25 4.15 0.13 0.17 115.11 120.07 2e7n h GLN 107 Ca 0.02 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.60 2e7n h GLN 107 Cb 0.55 -0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.09 2e7n h GLN 107 CO 0.02 0.24 0.59 0.22 -1.93 0.00 0.00 178.83 177.96 2e7n h ASP 108 N 0.37 0.50 0.18 -0.69 3.58 -1.02 0.12 116.42 119.46 2e7n h ASP 108 Ca 0.41 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.89 2e7n h ASP 108 Cb 0.64 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2e7n h ASP 108 CO -0.44 0.21 -0.08 0.58 -2.88 0.00 0.00 179.24 176.63 2e7n h VAL 109 N 0.51 0.13 -1.02 2.25 2.07 -0.75 -3.03 116.25 116.41 2e7n h VAL 109 Ca 0.47 -0.90 0.25 0.00 0.82 0.00 0.00 66.70 67.34 2e7n h VAL 109 Cb 1.02 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.93 2e7n h VAL 109 CO -0.20 0.04 0.65 0.15 0.02 0.00 0.00 177.57 178.22 2e7n h PHE 110 N -1.05 0.73 0.57 1.57 3.57 -0.96 0.24 116.94 121.61 2e7n h PHE 110 Ca -0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2e7n h PHE 110 Cb 0.24 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 38.77 2e7n h PHE 110 CO 0.02 0.09 -0.27 0.93 -2.23 0.00 0.00 178.31 176.84 2e7n h GLU 111 N 0.46 -0.74 -0.43 1.11 4.39 -0.86 -0.93 114.58 117.58 2e7n h GLU 111 Ca 0.59 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.31 2e7n h GLU 111 Cb 1.37 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.16 2e7n h GLU 111 CO -0.31 -0.45 0.14 0.00 -1.16 0.00 0.00 179.01 177.23 2e7n h MET 112 N -0.89 0.62 -0.08 2.33 -0.00 -1.12 -2.81 114.93 112.98 2e7n h MET 112 Ca -0.08 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.70 59.52 2e7n h MET 112 Cb 0.63 -0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 32.12 2e7n h MET 112 CO 0.13 0.54 0.04 0.00 -0.00 0.00 0.00 176.91 177.62 2e7n h ARG 113 N 0.61 0.12 -0.14 -0.10 2.47 -0.43 0.22 114.38 117.13 2e7n h ARG 113 Ca 0.15 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.90 2e7n h ARG 113 Cb 0.17 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.41 2e7n h ARG 113 CO -0.01 0.20 -0.23 0.35 0.56 0.00 0.00 179.97 180.83 2e7n h PHE 114 N 0.01 -0.62 -0.11 3.04 3.57 -0.92 -2.58 116.94 119.34 2e7n h PHE 114 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2e7n h PHE 114 Cb 0.12 0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 2e7n h PHE 114 CO -0.03 -0.31 0.02 0.00 -2.23 0.00 0.00 178.31 175.76 2e7n h ALA 115 N 0.68 0.14 -0.94 2.41 0.00 -1.45 -3.09 119.26 117.01 2e7n h ALA 115 Ca 0.10 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 55.08 2e7n h ALA 115 Cb 0.45 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.02 2e7n h ALA 115 CO -0.31 -0.22 -0.16 1.63 0.00 0.00 0.00 179.25 180.19 2e7n n LYS 116 N -4.86 -0.08 0.00 0.00 4.76 0.78 -5.12 118.16 113.64 2e7n n LYS 116 Ca -0.06 1.45 0.00 0.00 -2.87 0.00 0.00 58.31 56.83 2e7n n LYS 116 Cb 0.16 -2.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.14 2e7n n LYS 116 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91