#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 4.48 0.17 1.61 0.15 -1.26 -5.13 113.70 113.73 2e7n s SER 2 Ca 0.00 -0.17 0.11 0.00 0.70 0.00 0.00 55.95 56.59 2e7n s SER 2 Cb 0.00 -1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 63.26 2e7n s SER 2 CO 0.00 0.29 -0.24 -0.44 1.20 0.00 0.00 173.24 174.05 2e7n s SER 3 N -1.33 3.44 -0.37 5.45 0.01 -1.26 -5.09 113.70 114.55 2e7n s SER 3 Ca 0.16 -0.81 -0.04 0.00 1.31 0.00 0.00 55.95 56.57 2e7n s SER 3 Cb -0.11 -0.27 0.21 0.00 0.21 0.00 0.00 66.02 66.06 2e7n s SER 3 CO 0.06 0.14 1.02 -0.83 0.41 0.00 0.00 173.24 174.05 2e7n s GLY 4 N -2.46 -1.76 -0.24 3.44 0.00 -1.26 -5.13 107.32 99.91 2e7n s GLY 4 Ca 0.19 0.51 -0.03 0.00 0.00 0.00 0.00 44.72 45.39 2e7n s GLY 4 CO 0.09 4.19 0.35 -0.45 0.00 0.00 0.00 173.10 177.28 2e7n s SER 5 N 1.11 0.52 -0.11 1.64 0.15 -1.26 -5.15 113.70 110.60 2e7n s SER 5 Ca 0.23 0.06 -0.06 0.00 0.70 0.00 0.00 55.95 56.88 2e7n s SER 5 Cb 0.09 0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 65.32 2e7n s SER 5 CO -0.10 -0.31 0.11 -0.44 1.20 0.00 0.00 173.24 173.70 2e7n s SER 6 N 2.50 6.16 0.55 5.45 0.01 -1.26 -5.01 113.70 122.10 2e7n s SER 6 Ca 0.11 0.40 -0.20 0.00 1.31 0.00 0.00 55.95 57.58 2e7n s SER 6 Cb -0.15 -1.95 -0.05 0.00 0.21 0.00 0.00 66.02 64.08 2e7n s SER 6 CO -0.17 0.40 1.19 -0.83 0.41 0.00 0.00 173.24 174.24 2e7n s GLY 7 N -0.99 2.73 0.00 3.44 0.00 -1.26 -4.61 107.32 106.63 2e7n s GLY 7 Ca 0.15 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.84 2e7n s GLY 7 CO 0.04 1.37 0.00 0.61 0.00 0.00 0.00 173.10 175.12 2e7n n GLY 8 N 0.42 2.62 3.78 0.20 0.00 -1.26 -4.95 105.19 106.00 2e7n n GLY 8 Ca 0.12 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.31 1.53 0.86 1.61 -0.14 -1.26 -4.63 119.74 117.39 2e7n s LYS 9 Ca 0.00 0.50 -0.14 0.00 -1.36 0.00 0.00 55.97 54.97 2e7n s LYS 9 Cb 0.00 -1.87 0.03 0.00 -1.68 0.00 0.00 37.83 34.32 2e7n s LYS 9 CO 0.00 -1.97 0.66 1.28 -0.76 0.00 0.00 175.35 174.56 2e7n n LEU 10 N -3.65 1.31 -4.28 3.17 4.77 -1.26 -4.93 117.00 112.13 2e7n n LEU 10 Ca 0.07 0.46 -0.18 0.00 -0.03 0.00 0.00 56.01 56.32 2e7n n LEU 10 Cb 0.57 -1.29 -0.11 0.00 -2.33 0.00 0.00 43.42 40.26 2e7n n LEU 10 CO 0.57 -2.98 -0.45 -0.44 -1.33 0.00 0.00 177.39 172.76 2e7n s SER 11 N -1.93 2.21 0.45 -1.43 0.01 -1.26 -4.86 113.70 106.89 2e7n s SER 11 Ca 0.63 -0.88 0.35 0.00 1.31 0.00 0.00 55.95 57.37 2e7n s SER 11 Cb -0.27 -0.09 1.50 0.00 0.21 0.00 0.00 66.02 67.37 2e7n s SER 11 CO 0.61 -0.14 1.52 1.21 0.41 0.00 0.00 173.24 176.84 2e7n n GLU 12 N 0.26 -0.03 -0.01 12.44 4.07 -1.26 0.35 120.64 136.46 2e7n n GLU 12 Ca -0.13 1.19 -0.01 0.00 -0.06 0.00 0.00 57.16 58.15 2e7n n GLU 12 Cb 0.58 -2.41 -0.00 0.00 -0.06 0.00 0.00 31.44 29.55 2e7n n GLU 12 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2e7n h HIS 13 N 0.00 0.00 -0.90 4.31 3.86 -2.00 -3.38 115.15 117.04 2e7n h HIS 13 Ca 0.87 0.00 0.16 0.00 -1.16 0.00 0.00 60.37 60.24 2e7n h HIS 13 Cb 2.93 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 31.24 2e7n h HIS 13 CO -0.00 0.00 -0.32 1.25 0.86 0.00 0.00 177.93 179.72 2e7n h LEU 14 N -0.21 -1.16 -1.04 2.43 5.85 -1.74 0.61 115.31 120.05 2e7n h LEU 14 Ca 0.00 0.28 0.42 0.00 0.84 0.00 0.00 57.88 59.43 2e7n h LEU 14 Cb 0.10 0.65 -0.17 0.00 0.37 0.00 0.00 40.66 41.61 2e7n h LEU 14 CO 0.00 -0.30 0.58 0.08 -0.34 0.00 0.00 178.44 178.46 2e7n h ARG 15 N -0.03 0.02 0.06 1.25 0.11 -0.32 0.30 114.38 115.76 2e7n h ARG 15 Ca 0.37 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.44 2e7n h ARG 15 Cb 0.62 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 2e7n h ARG 15 CO -0.93 0.01 -0.03 -0.92 0.10 0.00 0.00 179.97 178.21 2e7n h TYR 16 N 0.02 -0.07 -1.05 4.08 5.03 0.04 -3.22 116.97 121.81 2e7n h TYR 16 Ca 0.85 -0.00 0.30 0.00 2.58 0.00 0.00 58.73 62.46 2e7n h TYR 16 Cb 2.28 0.02 -0.04 0.00 1.55 0.00 0.00 36.73 40.54 2e7n h TYR 16 CO -0.01 0.53 0.75 0.00 -1.32 0.00 0.00 178.16 178.11 2e7n h ASP 18 N 0.02 0.48 -0.04 0.00 1.82 -1.08 -0.89 116.42 116.72 2e7n h ASP 18 Ca 0.50 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 57.19 2e7n h ASP 18 Cb 1.97 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.97 2e7n h ASP 18 CO -0.02 0.14 -0.06 0.77 -1.61 0.00 0.00 179.24 178.46 2e7n h SER 19 N 0.45 0.12 -1.74 2.28 4.64 -0.88 -3.09 113.55 115.32 2e7n h SER 19 Ca 0.55 -0.53 0.50 0.00 -0.47 0.00 0.00 61.79 61.85 2e7n h SER 19 Cb 1.33 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 63.32 2e7n h SER 19 CO -0.27 0.62 1.33 -0.38 -0.87 0.00 0.00 176.83 177.26 2e7n n ILE 20 N -4.74 0.00 -0.05 0.95 5.41 -0.34 0.11 119.36 120.69 2e7n n ILE 20 Ca -0.08 1.38 -0.17 0.00 1.00 0.00 0.00 62.75 64.88 2e7n n ILE 20 Cb 0.31 -2.32 -0.13 0.00 -0.71 0.00 0.00 39.64 36.78 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 0.11 -1.98 1.39 5.85 -1.51 -2.90 115.31 116.27 2e7n h LEU 21 Ca 0.83 -0.88 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2e7n h LEU 21 Cb 3.47 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 44.46 2e7n h LEU 21 CO -0.01 1.23 0.10 0.08 -0.34 0.00 0.00 178.44 179.50 2e7n h ARG 22 N -0.83 0.03 0.02 1.25 0.11 0.77 -2.04 114.38 113.69 2e7n h ARG 22 Ca -0.13 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.95 2e7n h ARG 22 Cb 1.24 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2e7n h ARG 22 CO -0.01 0.02 -0.01 1.49 0.10 0.00 0.00 179.97 181.56 2e7n h GLU 23 N 0.03 -0.02 -0.34 0.08 4.57 -1.00 -3.24 114.58 114.66 2e7n h GLU 23 Ca 0.06 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.34 2e7n h GLU 23 Cb 0.22 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2e7n h GLU 23 CO -0.00 0.72 0.32 0.52 -1.18 0.00 0.00 179.01 179.38 2e7n h MET 24 N -0.82 0.00 -1.23 1.92 2.86 -1.25 -0.14 114.93 116.27 2e7n h MET 24 Ca -0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 2e7n h MET 24 Cb 0.75 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.29 2e7n h MET 24 CO 0.00 0.00 0.29 1.28 1.06 0.00 0.00 176.91 179.55 2e7n n LEU 25 N -3.97 5.17 -4.94 1.22 4.77 -0.80 -4.45 117.00 114.00 2e7n n LEU 25 Ca 0.05 -2.64 -0.26 0.00 -0.03 0.00 0.00 56.01 53.13 2e7n n LEU 25 Cb 0.48 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2e7n n LEU 25 CO 0.30 0.90 -0.03 -0.55 -1.33 0.00 0.00 177.39 176.68 2e7n s SER 26 N 0.25 6.36 0.16 -1.43 0.15 -0.07 -4.95 113.70 114.17 2e7n s SER 26 Ca 0.24 0.27 -0.18 0.00 0.70 0.00 0.00 55.95 56.97 2e7n s SER 26 Cb 0.19 -1.95 0.08 0.00 -1.71 0.00 0.00 66.02 62.63 2e7n s SER 26 CO 0.03 -0.01 1.67 0.50 1.20 0.00 0.00 173.24 176.62 2e7n h LYS 27 N 1.96 -0.03 -0.21 5.44 3.64 -1.90 0.47 116.57 125.94 2e7n h LYS 27 Ca -0.49 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 2e7n h LYS 27 Cb 1.20 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 2e7n h LYS 27 CO 0.68 -0.02 -0.55 -0.22 -2.27 0.00 0.00 179.45 177.07 2e7n h LYS 28 N -0.03 -0.51 -0.17 1.90 3.64 -1.95 -0.42 116.57 119.04 2e7n h LYS 28 Ca 0.18 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2e7n h LYS 28 Cb 0.30 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2e7n h LYS 28 CO -0.39 -0.34 -0.11 0.45 -2.27 0.00 0.00 179.45 176.79 2e7n h HIS 29 N -0.53 0.29 -0.85 1.91 3.86 -1.75 -3.07 115.15 115.01 2e7n h HIS 29 Ca 0.04 -0.03 0.22 0.00 -1.16 0.00 0.00 60.37 59.44 2e7n h HIS 29 Cb 0.65 -0.08 -0.16 0.00 1.06 0.00 0.00 27.41 28.88 2e7n h HIS 29 CO -0.63 0.39 -0.05 0.00 0.86 0.00 0.00 177.93 178.51 2e7n n ALA 30 N -2.49 0.37 -0.30 2.45 0.00 0.16 0.13 120.51 120.83 2e7n n ALA 30 Ca -0.00 0.92 0.02 0.00 0.00 0.00 0.00 53.44 54.37 2e7n n ALA 30 Cb 0.26 -0.64 0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 1.70 0.45 -0.15 0.00 0.00 -1.51 0.97 119.26 120.71 2e7n h ALA 31 Ca 0.48 0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.67 2e7n h ALA 31 Cb 0.94 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2e7n h ALA 31 CO -0.82 -0.46 -0.08 2.48 0.00 0.00 0.00 179.25 180.38 2e7n n TYR 32 N -5.53 0.52 -0.42 0.00 0.18 0.19 -4.48 117.16 107.62 2e7n n TYR 32 Ca 0.12 -1.14 0.00 0.00 1.88 0.00 0.00 57.90 58.76 2e7n n TYR 32 Cb 0.42 -0.28 0.00 0.00 -0.38 0.00 0.00 39.34 39.10 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 -1.04 1.52 0.01 -3.48 0.00 0.34 -4.34 120.51 113.53 2e7n n ALA 33 Ca 0.21 -0.53 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 2e7n n ALA 33 Cb 0.81 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.12 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 0.03 -0.12 0.00 5.08 -1.10 -3.28 115.95 116.56 2e7n h TRP 34 Ca 0.00 -0.02 0.03 0.00 1.08 0.00 0.00 58.89 59.98 2e7n h TRP 34 Cb 0.45 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.60 2e7n h TRP 34 CO 0.00 1.03 0.63 -1.35 -1.28 0.00 0.00 178.44 177.47 2e7n h PRO 35 N 0.00 0.00 0.00 0.12 0.11 -1.85 0.69 132.00 131.08 2e7n h PRO 35 Ca -0.19 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.79 2e7n h PRO 35 Cb 1.93 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 33.02 2e7n h PRO 35 CO 0.10 0.00 -1.97 1.19 -0.21 0.00 0.00 178.00 177.11 2e7n n PHE 36 N -2.87 0.00 -0.38 0.65 3.01 -1.25 -4.58 117.46 112.04 2e7n n PHE 36 Ca 0.01 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.42 2e7n n PHE 36 Cb 0.69 -0.59 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 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 -2.34 -0.18 -4.04 1.38 4.02 0.24 -4.11 117.16 112.14 2e7n n TYR 37 Ca -0.13 1.16 -0.28 0.00 -0.01 0.00 0.00 57.90 58.64 2e7n n TYR 37 Cb 0.71 -0.72 -0.05 0.00 -0.02 0.00 0.00 39.34 39.26 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 -5.69 3.01 1.16 -0.72 3.01 -1.24 -4.62 119.74 114.65 2e7n s LYS 38 Ca -0.12 -0.75 -0.18 0.00 -1.01 0.00 0.00 55.97 53.91 2e7n s LYS 38 Cb 0.15 -2.74 0.26 0.00 -1.01 0.00 0.00 37.83 34.49 2e7n s LYS 38 CO 0.63 0.52 1.10 -1.25 0.51 0.00 0.00 175.35 176.86 2e7n s PRO 39 N -2.91 -0.85 -0.80 -1.68 0.04 -1.26 -4.97 135.00 122.57 2e7n s PRO 39 Ca 0.31 0.07 -0.07 0.00 0.04 0.00 0.00 61.00 61.35 2e7n s PRO 39 Cb -0.11 -1.63 0.21 0.00 0.04 0.00 0.00 34.50 33.01 2e7n s PRO 39 CO 0.24 -3.49 0.69 0.08 0.04 0.00 0.00 177.00 174.56 2e7n s VAL 40 N -2.99 4.75 -1.06 -0.36 1.01 -1.26 -5.00 120.40 115.48 2e7n s VAL 40 Ca 0.70 -3.02 -0.23 0.00 0.00 0.00 0.00 61.98 59.43 2e7n s VAL 40 Cb -0.12 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2e7n s VAL 40 CO 0.56 -1.00 1.84 -0.62 0.00 0.00 0.00 175.10 175.88 2e7n s ASP 41 N 1.10 5.53 0.32 3.32 -1.08 -1.26 -4.80 116.67 119.81 2e7n s ASP 41 Ca 0.21 -1.32 0.09 0.00 -0.52 0.00 0.00 52.55 51.01 2e7n s ASP 41 Cb -0.13 -2.57 0.89 0.00 -1.46 0.00 0.00 42.92 39.65 2e7n s ASP 41 CO -0.07 -2.46 1.72 0.00 0.52 0.00 0.00 175.17 174.88 2e7n h ALA 42 N 10.12 1.77 0.88 3.66 0.00 -1.87 0.12 119.26 133.93 2e7n h ALA 42 Ca 0.19 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2e7n h ALA 42 Cb 0.97 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2e7n h ALA 42 CO 1.28 -0.31 -0.44 0.93 0.00 0.00 0.00 179.25 180.70 2e7n h GLU 43 N 0.53 -1.16 -0.69 0.00 5.08 -1.87 -2.85 114.58 113.62 2e7n h GLU 43 Ca 0.65 0.08 0.05 0.00 -1.00 0.00 0.00 59.36 59.14 2e7n h GLU 43 Cb 1.26 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.74 2e7n h GLU 43 CO -0.50 -0.77 0.45 0.00 -1.00 0.00 0.00 179.01 177.19 2e7n h ALA 44 N -1.09 1.69 -1.59 3.43 0.00 -1.67 -3.43 119.26 116.60 2e7n h ALA 44 Ca -0.12 -0.03 -0.46 0.00 0.00 0.00 0.00 54.91 54.31 2e7n h ALA 44 Cb 0.93 -0.20 0.08 0.00 0.00 0.00 0.00 17.79 18.61 2e7n h ALA 44 CO 0.18 0.22 0.13 -0.51 0.00 0.00 0.00 179.25 179.27 2e7n s LEU 45 N -9.68 2.98 0.32 0.00 1.02 0.32 -5.00 118.68 108.64 2e7n s LEU 45 Ca -0.10 -0.15 0.08 0.00 0.02 0.00 0.00 54.13 53.98 2e7n s LEU 45 Cb 0.19 -2.28 0.54 0.00 0.02 0.00 0.00 46.19 44.66 2e7n s LEU 45 CO 0.77 -1.80 1.75 -0.33 0.02 0.00 0.00 176.35 176.75 2e7n h GLU 46 N -0.55 0.17 -4.48 1.70 4.39 -1.84 -3.46 114.58 110.52 2e7n h GLU 46 Ca -0.39 -0.07 -0.50 0.00 0.34 0.00 0.00 59.36 58.74 2e7n h GLU 46 Cb 1.27 -0.00 0.08 0.00 -0.10 0.00 0.00 28.75 30.00 2e7n h GLU 46 CO 0.44 0.54 -0.42 1.28 -1.16 0.00 0.00 179.01 179.69 2e7n n LEU 47 N -4.05 -1.02 0.01 1.33 7.99 -1.25 -4.92 117.00 115.09 2e7n n LEU 47 Ca -0.01 0.83 -0.02 0.00 -0.01 0.00 0.00 56.01 56.79 2e7n n LEU 47 Cb 0.45 -0.71 -0.01 0.00 -0.11 0.00 0.00 43.42 43.05 2e7n n LEU 47 CO 0.41 -2.29 -0.30 1.57 -1.51 0.00 0.00 177.39 175.26 2e7n n HIS 48 N -0.05 0.00 -2.03 -1.77 -0.00 -1.26 -4.51 115.22 105.60 2e7n n HIS 48 Ca 0.13 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.58 2e7n n HIS 48 Cb 0.19 -0.08 0.02 0.00 -0.00 0.00 0.00 29.99 30.13 2e7n n HIS 48 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2e7n n ASP 49 N -3.41 5.42 -0.18 0.26 5.75 -1.26 -4.80 116.55 118.34 2e7n n ASP 49 Ca -0.03 -3.75 -0.05 0.00 -0.01 0.00 0.00 54.79 50.94 2e7n n ASP 49 Cb 0.27 -0.50 0.05 0.00 -1.03 0.00 0.00 41.12 39.90 2e7n n ASP 49 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2e7n h TYR 50 N 2.30 0.58 -0.12 2.11 5.03 -1.98 -2.86 116.97 122.05 2e7n h TYR 50 Ca 0.40 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.69 2e7n h TYR 50 Cb 1.19 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 39.29 2e7n h TYR 50 CO 0.94 0.32 -0.05 0.45 -1.32 0.00 0.00 178.16 178.50 2e7n h HIS 51 N 0.62 0.28 -0.80 -3.82 -0.00 -1.87 -2.08 115.15 107.48 2e7n h HIS 51 Ca 0.22 -0.07 0.30 0.00 -0.00 0.00 0.00 60.37 60.83 2e7n h HIS 51 Cb 0.05 -0.07 -0.15 0.00 -0.00 0.00 0.00 27.41 27.25 2e7n h HIS 51 CO -0.07 0.58 0.32 -0.25 -0.00 0.00 0.00 177.93 178.51 2e7n n ASP 52 N -4.70 0.18 0.03 2.45 9.92 -1.08 0.12 116.55 123.46 2e7n n ASP 52 Ca -0.06 1.34 -0.19 0.00 -0.53 0.00 0.00 54.79 55.34 2e7n n ASP 52 Cb 0.27 -0.61 -0.14 0.00 -0.64 0.00 0.00 41.12 40.01 2e7n n ASP 52 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2e7n h ILE 53 N 0.00 0.85 -1.96 0.53 5.03 -1.52 -3.42 117.51 117.02 2e7n h ILE 53 Ca 0.63 -2.53 -0.66 0.00 -0.12 0.00 0.00 64.86 62.18 2e7n h ILE 53 Cb 1.58 2.62 -0.15 0.00 -3.03 0.00 0.00 36.82 37.85 2e7n h ILE 53 CO -0.65 0.82 1.06 -0.63 -0.68 0.00 0.00 178.15 178.07 2e7n s ILE 54 N -2.58 4.43 0.10 -0.67 -1.09 0.31 -4.91 121.20 116.79 2e7n s ILE 54 Ca -0.16 -1.24 -0.20 0.00 -2.23 0.00 0.00 60.65 56.83 2e7n s ILE 54 Cb 0.06 -4.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.02 2e7n s ILE 54 CO 0.82 -1.66 1.17 0.29 -1.23 0.00 0.00 174.94 174.33 2e7n n LYS 55 N 7.42 -0.28 -3.58 2.79 4.76 -1.24 -4.10 118.16 123.93 2e7n n LYS 55 Ca 0.26 1.15 -0.28 0.00 -2.87 0.00 0.00 58.31 56.58 2e7n n LYS 55 Cb 0.50 -1.70 -0.16 0.00 -1.84 0.00 0.00 35.03 31.83 2e7n n LYS 55 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2e7n s HIS 56 N -4.84 0.28 0.20 2.13 3.76 -1.26 -5.01 115.29 110.55 2e7n s HIS 56 Ca -0.08 -0.61 -0.30 0.00 -0.15 0.00 0.00 55.06 53.92 2e7n s HIS 56 Cb 0.07 -0.81 -0.09 0.00 1.11 0.00 0.00 32.58 32.86 2e7n s HIS 56 CO 0.39 -0.67 1.30 -1.25 -0.85 0.00 0.00 174.74 173.66 2e7n s PRO 57 N 2.11 4.39 0.15 8.40 0.04 -1.26 -4.93 135.00 143.90 2e7n s PRO 57 Ca 0.05 2.04 0.11 0.00 0.04 0.00 0.00 61.00 63.25 2e7n s PRO 57 Cb -0.16 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2e7n s PRO 57 CO -0.23 -0.24 -0.25 1.41 0.04 0.00 0.00 177.00 177.73 2e7n s MET 58 N -0.14 1.39 0.05 4.56 1.75 -1.26 -5.07 119.30 120.59 2e7n s MET 58 Ca 0.56 -1.39 -0.06 0.00 -1.25 0.00 0.00 55.69 53.55 2e7n s MET 58 Cb -0.36 -1.78 -0.01 0.00 2.84 0.00 0.00 34.83 35.52 2e7n s MET 58 CO 0.38 0.40 0.12 0.16 -0.65 0.00 0.00 175.02 175.43 2e7n s ASP 59 N -2.28 0.19 0.19 1.11 -4.77 -1.26 -4.74 116.67 105.10 2e7n s ASP 59 Ca 0.15 -0.61 -0.13 0.00 -3.30 0.00 0.00 52.55 48.66 2e7n s ASP 59 Cb -0.09 0.26 0.20 0.00 -1.09 0.00 0.00 42.92 42.21 2e7n s ASP 59 CO 0.07 -0.59 1.69 -0.07 0.70 0.00 0.00 175.17 176.97 2e7n h LEU 60 N 3.30 -0.16 -0.73 2.11 3.38 -1.86 -2.19 115.31 119.16 2e7n h LEU 60 Ca -0.33 0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.87 2e7n h LEU 60 Cb 1.18 0.19 -0.13 0.00 0.09 0.00 0.00 40.66 42.00 2e7n h LEU 60 CO 0.54 -0.05 -0.40 -1.28 0.09 0.00 0.00 178.44 177.34 2e7n h SER 61 N 0.15 -1.41 -0.57 -0.43 0.87 -1.85 0.29 113.55 110.59 2e7n h SER 61 Ca 0.26 0.26 0.12 0.00 -1.23 0.00 0.00 61.79 61.20 2e7n h SER 61 Cb 0.38 0.69 -0.10 0.00 -0.44 0.00 0.00 62.40 62.93 2e7n h SER 61 CO -0.40 -0.30 -0.01 0.74 -0.53 0.00 0.00 176.83 176.32 2e7n h THR 62 N -0.12 0.53 0.58 2.23 2.02 -1.82 0.17 112.91 116.50 2e7n h THR 62 Ca 0.25 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 2e7n h THR 62 Cb 0.56 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2e7n h THR 62 CO -0.79 0.02 -0.28 0.58 0.37 0.00 0.00 175.52 175.42 2e7n h VAL 63 N 0.11 0.36 -0.70 3.16 2.07 -0.65 -1.91 116.25 118.68 2e7n h VAL 63 Ca 0.29 -0.23 0.15 0.00 0.82 0.00 0.00 66.70 67.73 2e7n h VAL 63 Cb 0.46 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.56 2e7n h VAL 63 CO -0.49 0.03 0.15 0.50 0.02 0.00 0.00 177.57 177.78 2e7n h LYS 64 N -0.95 0.24 -0.20 1.57 3.64 -0.14 0.29 116.57 121.02 2e7n h LYS 64 Ca -0.08 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 2e7n h LYS 64 Cb 0.65 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2e7n h LYS 64 CO 0.13 0.16 0.08 0.00 -2.27 0.00 0.00 179.45 177.55 2e7n h ARG 65 N 0.25 0.18 0.75 1.90 3.08 -0.61 0.29 114.38 120.21 2e7n h ARG 65 Ca 0.39 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.39 2e7n h ARG 65 Cb 0.65 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.67 2e7n h ARG 65 CO -0.50 0.12 -0.36 0.87 -1.07 0.00 0.00 179.97 179.03 2e7n h LYS 66 N 0.18 -0.97 -0.66 0.04 1.57 -0.33 -3.06 116.57 113.35 2e7n h LYS 66 Ca 0.09 0.07 0.12 0.00 -1.87 0.00 0.00 60.65 59.05 2e7n h LYS 66 Cb 0.04 0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.49 2e7n h LYS 66 CO -0.08 -0.63 0.22 1.98 -0.57 0.00 0.00 179.45 180.37 2e7n h MET 67 N -1.18 0.36 -0.82 3.15 4.05 -0.46 -0.03 114.93 120.00 2e7n h MET 67 Ca -0.10 -0.02 0.20 0.00 -0.28 0.00 0.00 59.70 59.49 2e7n h MET 67 Cb 0.79 -0.08 -0.14 0.00 -0.80 0.00 0.00 31.60 31.37 2e7n h MET 67 CO 0.17 0.24 0.03 0.22 0.23 0.00 0.00 176.91 177.80 2e7n h ASP 68 N 0.37 -0.33 -0.76 1.39 3.58 -0.39 0.54 116.42 120.81 2e7n h ASP 68 Ca 0.35 0.21 -0.42 0.00 0.42 0.00 0.00 57.03 57.59 2e7n h ASP 68 Cb 0.50 0.36 -0.23 0.00 1.72 0.00 0.00 39.33 41.68 2e7n h ASP 68 CO -0.38 -0.21 0.53 0.61 -2.88 0.00 0.00 179.24 176.92 2e7n n GLY 69 N -1.43 4.10 4.33 -0.78 0.00 -0.51 -4.88 105.19 106.01 2e7n n GLY 69 Ca 0.16 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.69 -1.48 0.08 1.61 3.00 0.19 -4.82 116.66 114.55 2e7n n ARG 70 Ca 0.46 0.19 -0.16 0.00 -0.01 0.00 0.00 57.85 58.33 2e7n n ARG 70 Cb 1.27 -4.26 -0.09 0.00 0.00 0.00 0.00 32.46 29.38 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 -1.47 0.42 -6.62 5.56 5.08 -1.22 -3.37 114.58 112.96 2e7n h GLU 71 Ca -0.63 -0.54 -0.53 0.00 -1.00 0.00 0.00 59.36 56.67 2e7n h GLU 71 Cb 1.39 0.17 0.04 0.00 0.50 0.00 0.00 28.75 30.85 2e7n h GLU 71 CO 0.77 1.20 0.81 0.71 -1.00 0.00 0.00 179.01 181.49 2e7n s TYR 72 N -3.04 3.11 0.00 4.33 2.02 -1.26 -4.38 117.35 118.13 2e7n s TYR 72 Ca -0.06 0.82 -0.24 0.00 -0.37 0.00 0.00 57.07 57.22 2e7n s TYR 72 Cb 0.08 -3.83 -0.18 0.00 -0.40 0.00 0.00 41.96 37.63 2e7n s TYR 72 CO 0.89 -2.94 1.29 -1.00 -1.57 0.00 0.00 175.55 172.22 2e7n h PRO 73 N 6.38 0.14 -3.82 -1.71 0.13 -1.85 -3.38 132.00 127.88 2e7n h PRO 73 Ca -0.43 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2e7n h PRO 73 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2e7n h PRO 73 CO 0.87 0.59 -0.21 -0.51 -0.23 0.00 0.00 178.00 178.50 2e7n s ASP 74 N -5.86 -0.05 0.30 1.44 1.01 -1.26 -4.65 116.67 107.61 2e7n s ASP 74 Ca -0.15 -0.99 0.06 0.00 0.71 0.00 0.00 52.55 52.18 2e7n s ASP 74 Cb 0.03 0.54 0.80 0.00 1.01 0.00 0.00 42.92 45.30 2e7n s ASP 74 CO 0.70 -1.07 1.67 0.00 0.21 0.00 0.00 175.17 176.69 2e7n h ALA 75 N 2.34 1.50 -0.61 5.23 0.00 -1.88 0.12 119.26 125.96 2e7n h ALA 75 Ca -0.28 0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.94 2e7n h ALA 75 Cb 1.25 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2e7n h ALA 75 CO 0.39 -0.43 0.06 1.96 0.00 0.00 0.00 179.25 181.24 2e7n h GLN 76 N 0.33 0.17 -0.00 0.00 1.08 -1.98 0.84 115.11 115.55 2e7n h GLN 76 Ca 0.60 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.79 2e7n h GLN 76 Cb 1.21 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2e7n h GLN 76 CO -0.58 0.12 0.00 0.78 -0.95 0.00 0.00 178.83 178.19 2e7n h GLY 77 N 0.18 0.00 0.85 3.46 0.00 -1.17 0.29 103.07 106.68 2e7n h GLY 77 Ca 0.32 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.68 2e7n h GLY 77 CO -0.47 0.00 0.23 -2.75 0.00 0.00 0.00 176.54 173.55 2e7n h PHE 78 N -0.02 0.42 -0.47 5.60 3.04 -1.12 -2.64 116.94 121.75 2e7n h PHE 78 Ca 0.00 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 2e7n h PHE 78 Cb 0.02 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 2e7n h PHE 78 CO -0.07 0.23 0.02 0.00 -2.02 0.00 0.00 178.31 176.47 2e7n h ALA 79 N 1.20 0.63 -0.52 2.41 0.00 -0.71 -2.88 119.26 119.39 2e7n h ALA 79 Ca 0.17 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.90 2e7n h ALA 79 Cb 0.04 -0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.56 2e7n h ALA 79 CO -0.10 0.41 -0.44 0.00 0.00 0.00 0.00 179.25 179.13 2e7n h ALA 80 N 0.93 -0.38 0.41 0.00 0.00 -0.07 -0.25 119.26 119.90 2e7n h ALA 80 Ca 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2e7n h ALA 80 Cb 0.47 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2e7n h ALA 80 CO 0.02 -0.85 -0.27 -0.44 0.00 0.00 0.00 179.25 177.71 2e7n h ASP 81 N -0.26 -0.69 -0.36 0.00 5.19 -1.51 -2.88 116.42 115.91 2e7n h ASP 81 Ca 0.16 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.65 2e7n h ASP 81 Cb 0.57 0.21 -0.05 0.00 0.18 0.00 0.00 39.33 40.24 2e7n h ASP 81 CO -0.65 -0.42 -0.33 0.58 -3.12 0.00 0.00 179.24 175.30 2e7n h VAL 82 N -0.66 0.00 -0.86 -1.35 2.07 -1.15 -1.85 116.25 112.45 2e7n h VAL 82 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.56 2e7n h VAL 82 Cb 0.55 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 2e7n h VAL 82 CO 0.03 0.00 -0.53 0.03 0.02 0.00 0.00 177.57 177.11 2e7n h ARG 83 N -0.15 -0.03 -0.70 1.57 3.08 -1.05 -0.85 114.38 116.25 2e7n h ARG 83 Ca 0.06 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.18 2e7n h ARG 83 Cb 0.30 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.26 2e7n h ARG 83 CO -0.41 -0.02 -0.55 1.25 -1.07 0.00 0.00 179.97 179.17 2e7n h LEU 84 N -0.04 -1.94 -0.81 3.04 6.46 -1.14 0.21 115.31 121.09 2e7n h LEU 84 Ca 0.14 0.28 0.24 0.00 -0.12 0.00 0.00 57.88 58.41 2e7n h LEU 84 Cb 0.39 0.83 -0.15 0.00 -0.73 0.00 0.00 40.66 41.00 2e7n h LEU 84 CO -0.83 -0.30 0.07 0.80 -0.62 0.00 0.00 178.44 177.56 2e7n n MET 85 N -5.20 -0.06 -0.12 1.25 1.56 -0.34 0.19 117.12 114.40 2e7n n MET 85 Ca -0.01 1.21 -0.12 0.00 -0.27 0.00 0.00 57.70 58.51 2e7n n MET 85 Cb 0.28 -1.95 -0.03 0.00 2.15 0.00 0.00 33.22 33.68 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 0.86 0.09 1.12 0.04 -0.42 -3.01 116.94 115.63 2e7n h PHE 86 Ca 0.52 -0.22 0.02 0.00 2.80 0.00 0.00 57.97 61.09 2e7n h PHE 86 Cb 1.11 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 39.04 2e7n h PHE 86 CO -0.37 0.94 -0.20 1.03 -0.60 0.00 0.00 178.31 179.11 2e7n h SER 87 N 0.53 -0.57 -0.42 2.17 0.87 0.31 -2.73 113.55 113.70 2e7n h SER 87 Ca 0.08 0.07 0.09 0.00 -1.23 0.00 0.00 61.79 60.80 2e7n h SER 87 Cb 0.72 0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 62.81 2e7n h SER 87 CO 0.05 -0.28 -0.18 0.78 -0.53 0.00 0.00 176.83 176.67 2e7n h ASN 88 N -0.37 -0.61 0.00 6.23 2.35 -1.12 0.12 115.58 122.18 2e7n h ASN 88 Ca 0.03 0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2e7n h ASN 88 Cb 0.41 0.34 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2e7n h ASN 88 CO -0.13 -0.21 0.00 0.00 -1.65 0.00 0.00 177.43 175.44 2e7n h TYR 90 N 0.00 1.09 -0.78 0.00 0.05 -1.54 -1.40 116.97 114.39 2e7n h TYR 90 Ca 0.00 -0.06 0.10 0.00 0.05 0.00 0.00 58.73 58.82 2e7n h TYR 90 Cb 0.00 -0.33 -0.12 0.00 1.01 0.00 0.00 36.73 37.29 2e7n h TYR 90 CO -0.55 0.81 -0.35 1.17 -1.05 0.00 0.00 178.16 178.19 2e7n n LYS 91 N -4.30 -0.23 -0.07 4.88 0.00 0.40 -2.90 118.16 115.93 2e7n n LYS 91 Ca 0.07 1.19 -0.05 0.00 0.00 0.00 0.00 58.31 59.52 2e7n n LYS 91 Cb 0.16 -1.76 -0.02 0.00 0.00 0.00 0.00 35.03 33.41 2e7n n LYS 91 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2e7n n TYR 92 N -5.09 0.92 -1.67 5.64 4.19 -0.82 -4.92 117.16 115.40 2e7n n TYR 92 Ca 0.06 0.40 -0.44 0.00 3.31 0.00 0.00 57.90 61.22 2e7n n TYR 92 Cb 0.28 -0.77 -0.02 0.00 0.49 0.00 0.00 39.34 39.32 2e7n n TYR 92 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 2e7n n ASN 93 N -4.61 2.68 -4.70 2.98 3.02 -0.54 -4.96 115.26 109.14 2e7n n ASN 93 Ca -0.07 1.16 -0.29 0.00 -0.03 0.00 0.00 54.58 55.34 2e7n n ASN 93 Cb 0.27 -1.43 0.16 0.00 -0.61 0.00 0.00 39.78 38.17 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 -0.71 0.81 0.00 3.52 0.04 -1.26 -4.49 135.00 132.91 2e7n s PRO 94 Ca 0.66 0.66 0.15 0.00 0.04 0.00 0.00 61.00 62.51 2e7n s PRO 94 Cb -0.64 -1.77 0.84 0.00 0.04 0.00 0.00 34.50 32.97 2e7n s PRO 94 CO 0.52 -2.50 1.37 -0.35 0.04 0.00 0.00 177.00 176.07 2e7n n PRO 95 N -4.04 0.36 -0.09 0.56 -0.04 -1.26 -2.92 135.00 127.58 2e7n n PRO 95 Ca 0.06 0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 2e7n n PRO 95 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.12 1.96 -3.74 3.54 8.00 -1.26 -4.94 116.55 118.98 2e7n n ASP 96 Ca 0.10 0.30 -0.52 0.00 0.71 0.00 0.00 54.79 55.38 2e7n n ASP 96 Cb 0.08 -0.86 -0.07 0.00 -0.02 0.00 0.00 41.12 40.25 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 -4.05 1.03 -0.29 1.24 -0.00 -1.15 -4.80 115.22 107.20 2e7n n HIS 97 Ca -0.38 0.89 -0.02 0.00 0.46 0.00 0.00 57.72 58.67 2e7n n HIS 97 Cb 0.84 -1.75 0.10 0.00 -0.12 0.00 0.00 29.99 29.06 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 3.34 0.96 -1.20 1.57 4.11 -1.92 -1.98 114.58 119.46 2e7n h GLU 98 Ca -0.38 -0.06 0.36 0.00 0.07 0.00 0.00 59.36 59.35 2e7n h GLU 98 Cb 1.12 -0.22 -0.11 0.00 0.50 0.00 0.00 28.75 30.05 2e7n h GLU 98 CO 0.68 0.64 0.78 -0.24 0.07 0.00 0.00 179.01 180.94 2e7n h VAL 99 N 0.99 0.31 -0.14 -1.06 3.04 -1.97 0.18 116.25 117.59 2e7n h VAL 99 Ca 0.32 -0.07 0.03 0.00 -1.01 0.00 0.00 66.70 65.97 2e7n h VAL 99 Cb 0.01 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 29.34 2e7n h VAL 99 CO -0.11 0.04 -0.06 0.58 -1.01 0.00 0.00 177.57 177.00 2e7n h VAL 100 N 0.21 0.79 -0.95 1.51 2.07 -1.68 -0.38 116.25 117.80 2e7n h VAL 100 Ca 0.71 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.32 2e7n h VAL 100 Cb 2.13 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 32.61 2e7n h VAL 100 CO -0.33 0.00 0.61 0.00 0.02 0.00 0.00 177.57 177.87 2e7n h ALA 101 N 1.08 1.53 -0.48 1.67 0.00 -0.78 -1.70 119.26 120.58 2e7n h ALA 101 Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2e7n h ALA 101 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2e7n h ALA 101 CO -0.17 0.29 -0.13 0.52 0.00 0.00 0.00 179.25 179.76 2e7n h MET 102 N 1.01 0.94 -0.78 0.00 2.86 -1.19 -3.05 114.93 114.72 2e7n h MET 102 Ca 0.43 -0.36 0.13 0.00 -2.06 0.00 0.00 59.70 57.84 2e7n h MET 102 Cb 0.33 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.85 2e7n h MET 102 CO -0.19 1.03 0.38 0.00 1.06 0.00 0.00 176.91 179.18 2e7n h ALA 103 N 0.88 1.13 0.59 6.32 0.00 -0.15 -2.45 119.26 125.59 2e7n h ALA 103 Ca 0.12 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2e7n h ALA 103 Cb 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2e7n h ALA 103 CO 0.05 -0.11 -0.35 0.00 0.00 0.00 0.00 179.25 178.84 2e7n h ARG 104 N 0.57 -0.85 -0.82 0.00 3.08 -1.39 -0.47 114.38 114.49 2e7n h ARG 104 Ca 0.42 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.64 2e7n h ARG 104 Cb 0.56 0.19 -0.12 0.00 0.08 0.00 0.00 29.97 30.68 2e7n h ARG 104 CO -0.35 -0.57 -0.36 1.63 -1.07 0.00 0.00 179.97 179.26 2e7n n LYS 105 N -5.49 -0.23 -0.04 0.04 5.02 -0.93 0.16 118.16 116.68 2e7n n LYS 105 Ca -0.13 1.26 -0.06 0.00 -2.02 0.00 0.00 58.31 57.36 2e7n n LYS 105 Cb 0.38 -1.86 0.13 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.66 -1.71 -0.35 5.85 -1.43 -2.71 115.31 115.61 2e7n h LEU 106 Ca 0.25 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2e7n h LEU 106 Cb 0.45 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2e7n h LEU 106 CO -0.80 0.90 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.42 2e7n h GLN 107 N 0.56 0.00 0.17 1.25 5.75 0.32 -2.58 115.11 120.57 2e7n h GLN 107 Ca 0.07 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 2e7n h GLN 107 Cb 0.75 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.30 2e7n h GLN 107 CO 0.06 0.16 -0.08 0.22 -2.65 0.00 0.00 178.83 176.54 2e7n h ASP 108 N 0.00 -0.19 -0.39 -0.69 1.82 0.31 -1.31 116.42 115.97 2e7n h ASP 108 Ca -0.00 0.01 0.11 0.00 -0.39 0.00 0.00 57.03 56.76 2e7n h ASP 108 Cb 0.30 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 2e7n h ASP 108 CO 0.02 -0.06 0.65 1.62 -1.61 0.00 0.00 179.24 179.86 2e7n h VAL 109 N -0.37 0.15 0.02 2.25 3.04 -1.55 -1.34 116.25 118.46 2e7n h VAL 109 Ca -0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2e7n h VAL 109 Cb 0.17 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 29.89 2e7n h VAL 109 CO 0.04 0.00 -0.01 0.15 -1.01 0.00 0.00 177.57 176.74 2e7n h PHE 110 N 0.00 -0.03 -1.13 3.17 3.04 -1.42 -2.51 116.94 118.06 2e7n h PHE 110 Ca 0.19 -0.00 0.32 0.00 3.98 0.00 0.00 57.97 62.46 2e7n h PHE 110 Cb 1.48 0.01 -0.10 0.00 2.56 0.00 0.00 35.95 39.90 2e7n h PHE 110 CO 0.00 -0.02 0.73 1.05 -2.02 0.00 0.00 178.31 178.05 2e7n h GLU 111 N -0.56 0.27 -0.16 1.11 4.11 -0.46 0.47 114.58 119.37 2e7n h GLU 111 Ca -0.00 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.20 2e7n h GLU 111 Cb 0.02 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.22 2e7n h GLU 111 CO 0.01 0.18 -0.75 0.00 0.07 0.00 0.00 179.01 178.51 2e7n h MET 112 N 0.28 0.76 -0.01 1.06 -0.00 -1.40 -3.24 114.93 112.38 2e7n h MET 112 Ca 0.66 -0.60 0.01 0.00 -0.00 0.00 0.00 59.70 59.77 2e7n h MET 112 Cb 1.86 0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 33.57 2e7n h MET 112 CO -0.32 1.21 -0.07 0.00 -0.00 0.00 0.00 176.91 177.74 2e7n h ARG 113 N 0.52 -0.11 -1.00 -0.10 2.47 0.39 -2.11 114.38 114.44 2e7n h ARG 113 Ca -0.04 0.01 0.22 0.00 -1.26 0.00 0.00 59.98 58.91 2e7n h ARG 113 Cb 1.37 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 29.61 2e7n h ARG 113 CO 0.15 -0.07 0.62 0.35 0.56 0.00 0.00 179.97 181.58 2e7n h PHE 114 N -0.11 0.90 0.02 3.04 3.57 -1.40 -0.79 116.94 122.17 2e7n h PHE 114 Ca 0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2e7n h PHE 114 Cb 0.15 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.63 2e7n h PHE 114 CO -0.14 0.15 -0.01 0.00 -2.23 0.00 0.00 178.31 176.08 2e7n h ALA 115 N 1.65 -0.03 -1.01 2.41 0.00 -1.42 -2.83 119.26 118.04 2e7n h ALA 115 Ca 0.58 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.63 2e7n h ALA 115 Cb 1.14 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 2e7n h ALA 115 CO -0.36 -0.44 0.61 0.87 0.00 0.00 0.00 179.25 179.93 2e7n h LYS 116 N -0.18 0.64 0.00 0.00 6.56 -0.78 -3.52 116.57 119.29 2e7n h LYS 116 Ca -0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2e7n h LYS 116 Cb 0.17 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 2e7n h LYS 116 CO 0.00 0.43 0.00 -0.12 -2.06 0.00 0.00 179.45 177.70