#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 3.31 -0.95 1.61 0.15 -1.26 -5.08 113.70 111.48 2e7n s SER 2 Ca 0.00 -0.74 -0.05 0.00 0.70 0.00 0.00 55.95 55.86 2e7n s SER 2 Cb 0.00 -0.22 0.24 0.00 -1.71 0.00 0.00 66.02 64.32 2e7n s SER 2 CO 0.00 0.18 0.87 -0.94 1.20 0.00 0.00 173.24 174.56 2e7n s SER 3 N -2.01 6.46 0.10 5.45 1.04 -1.26 -4.99 113.70 118.49 2e7n s SER 3 Ca 0.14 -3.55 -0.19 0.00 0.48 0.00 0.00 55.95 52.83 2e7n s SER 3 Cb -0.10 -2.03 0.04 0.00 0.10 0.00 0.00 66.02 64.03 2e7n s SER 3 CO 0.06 -0.26 0.45 -0.83 0.98 0.00 0.00 173.24 173.64 2e7n s GLY 4 N 0.57 -0.35 -1.08 7.32 0.00 -1.26 -5.08 107.32 107.44 2e7n s GLY 4 Ca 0.27 0.21 -0.22 0.00 0.00 0.00 0.00 44.72 44.98 2e7n s GLY 4 CO -0.10 -0.06 1.80 -0.56 0.00 0.00 0.00 173.10 174.18 2e7n s SER 5 N -2.48 5.71 0.20 1.64 0.01 -1.26 -4.89 113.70 112.63 2e7n s SER 5 Ca -0.01 -1.46 0.10 0.00 1.31 0.00 0.00 55.95 55.90 2e7n s SER 5 Cb 0.01 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2e7n s SER 5 CO -0.08 -2.29 -0.17 -0.94 0.41 0.00 0.00 173.24 170.17 2e7n s SER 6 N 6.23 3.83 0.00 2.44 1.04 -1.26 -5.07 113.70 120.91 2e7n s SER 6 Ca 0.62 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2e7n s SER 6 Cb -0.02 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.63 2e7n s SER 6 CO 0.03 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2e7n n GLY 7 N -0.01 0.92 0.03 7.32 0.00 -1.26 -4.72 105.19 107.46 2e7n n GLY 7 Ca -0.10 -1.71 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 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 1.00 -0.61 3.21 -0.02 0.00 -1.26 -5.07 105.19 102.44 2e7n n GLY 8 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2e7n n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2e7n n LYS 9 N -3.06 0.69 -1.67 1.61 4.76 -1.26 -5.08 118.16 114.14 2e7n n LYS 9 Ca -0.03 -3.29 -0.53 0.00 -2.87 0.00 0.00 58.31 51.58 2e7n n LYS 9 Cb 0.12 1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 34.72 2e7n n LYS 9 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2e7n n LEU 10 N 0.00 2.43 -4.33 -0.35 7.99 -1.26 -4.92 117.00 116.56 2e7n n LEU 10 Ca -0.10 1.07 -0.29 0.00 -0.01 0.00 0.00 56.01 56.68 2e7n n LEU 10 Cb 0.58 -1.22 0.26 0.00 -0.11 0.00 0.00 43.42 42.93 2e7n n LEU 10 CO 0.31 -0.52 0.32 -0.24 -1.51 0.00 0.00 177.39 175.74 2e7n n SER 11 N 4.62 -2.85 -0.06 -1.43 2.88 -1.26 -4.51 113.62 111.02 2e7n n SER 11 Ca 0.23 -0.46 0.02 0.00 -1.33 0.00 0.00 58.87 57.33 2e7n n SER 11 Cb 0.19 -1.11 0.35 0.00 -0.75 0.00 0.00 64.21 62.90 2e7n n SER 11 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2e7n h GLU 12 N -3.03 0.67 0.02 -1.46 4.11 -1.97 -2.09 114.58 110.82 2e7n h GLU 12 Ca -0.52 -0.06 -0.36 0.00 0.07 0.00 0.00 59.36 58.49 2e7n h GLU 12 Cb 1.31 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2e7n h GLU 12 CO 0.38 0.47 -1.99 0.72 0.07 0.00 0.00 179.01 178.66 2e7n n HIS 13 N -4.43 0.54 -0.18 2.06 8.25 -1.26 -4.48 115.22 115.72 2e7n n HIS 13 Ca 0.04 0.20 -0.06 0.00 -0.26 0.00 0.00 57.72 57.64 2e7n n HIS 13 Cb 0.08 -1.06 -0.00 0.00 1.12 0.00 0.00 29.99 30.13 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 -0.75 -1.20 -0.91 2.41 5.85 -1.90 0.15 115.31 118.97 2e7n h LEU 14 Ca -0.52 0.22 0.36 0.00 0.84 0.00 0.00 57.88 58.78 2e7n h LEU 14 Cb 1.59 0.58 -0.16 0.00 0.37 0.00 0.00 40.66 43.03 2e7n h LEU 14 CO -0.24 -0.31 0.41 -2.11 -0.34 0.00 0.00 178.44 175.84 2e7n n ARG 15 N -5.43 -0.06 0.09 1.25 1.85 -0.79 0.23 116.66 113.81 2e7n n ARG 15 Ca 0.03 1.27 -0.13 0.00 -1.00 0.00 0.00 57.85 58.02 2e7n n ARG 15 Cb 0.35 -2.24 -0.09 0.00 -1.05 0.00 0.00 32.46 29.43 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 0.46 -0.26 2.89 5.03 -0.96 -3.31 116.97 120.82 2e7n h TYR 16 Ca 0.74 -0.30 -0.03 0.00 2.58 0.00 0.00 58.73 61.72 2e7n h TYR 16 Cb 1.89 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 40.13 2e7n h TYR 16 CO -0.09 1.17 0.03 0.00 -1.32 0.00 0.00 178.16 177.96 2e7n h ASP 18 N 0.23 0.00 0.00 0.00 1.82 -0.67 0.24 116.42 118.05 2e7n h ASP 18 Ca 0.08 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2e7n h ASP 18 Cb 0.35 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.36 2e7n h ASP 18 CO 0.01 0.00 -0.02 0.28 -1.61 0.00 0.00 179.24 177.89 2e7n h SER 19 N 0.00 0.00 -1.28 2.28 0.02 -1.62 -3.29 113.55 109.65 2e7n h SER 19 Ca 0.48 -0.93 0.37 0.00 -0.84 0.00 0.00 61.79 60.87 2e7n h SER 19 Cb 2.43 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.92 2e7n h SER 19 CO -0.01 0.98 1.23 -0.38 -1.14 0.00 0.00 176.83 177.51 2e7n n ILE 20 N -4.62 0.00 0.02 3.27 5.41 0.84 0.18 119.36 124.46 2e7n n ILE 20 Ca -0.10 1.27 -0.19 0.00 1.00 0.00 0.00 62.75 64.72 2e7n n ILE 20 Cb 0.46 -2.21 -0.14 0.00 -0.71 0.00 0.00 39.64 37.03 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 0.37 -1.41 1.39 5.85 -1.62 -2.90 115.31 117.00 2e7n h LEU 21 Ca 0.61 -0.93 0.06 0.00 0.84 0.00 0.00 57.88 58.47 2e7n h LEU 21 Cb 3.06 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 43.92 2e7n h LEU 21 CO -0.01 1.38 0.46 0.08 -0.34 0.00 0.00 178.44 180.02 2e7n h ARG 22 N -0.47 0.70 -0.04 1.25 0.11 0.18 -1.04 114.38 115.06 2e7n h ARG 22 Ca -0.16 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.84 2e7n h ARG 22 Cb 1.56 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.48 2e7n h ARG 22 CO 0.10 0.46 -0.14 1.49 0.10 0.00 0.00 179.97 181.98 2e7n h GLU 23 N 0.72 0.17 -0.30 0.08 4.57 -1.42 -3.18 114.58 115.23 2e7n h GLU 23 Ca 0.30 -0.13 0.06 0.00 -1.18 0.00 0.00 59.36 58.41 2e7n h GLU 23 Cb 0.26 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 2e7n h GLU 23 CO -0.10 0.75 0.21 0.52 -1.18 0.00 0.00 179.01 179.21 2e7n h MET 24 N -0.37 0.16 -1.47 1.92 2.86 -1.23 -1.55 114.93 115.24 2e7n h MET 24 Ca -0.01 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 2e7n h MET 24 Cb 0.77 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.31 2e7n h MET 24 CO 0.03 0.10 0.23 1.28 1.06 0.00 0.00 176.91 179.61 2e7n n LEU 25 N -4.48 5.33 -4.94 1.22 4.77 -0.44 -4.42 117.00 114.05 2e7n n LEU 25 Ca 0.03 -2.64 -0.26 0.00 -0.03 0.00 0.00 56.01 53.11 2e7n n LEU 25 Cb 0.26 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 2e7n n LEU 25 CO 0.35 0.97 -0.04 -0.55 -1.33 0.00 0.00 177.39 176.78 2e7n s SER 26 N 0.72 6.36 0.41 -1.43 0.15 -0.59 -4.96 113.70 114.36 2e7n s SER 26 Ca 0.17 0.26 0.08 0.00 0.70 0.00 0.00 55.95 57.17 2e7n s SER 26 Cb 0.14 -1.95 0.87 0.00 -1.71 0.00 0.00 66.02 63.37 2e7n s SER 26 CO 0.01 0.01 2.03 0.11 1.20 0.00 0.00 173.24 176.60 2e7n h LYS 27 N 2.04 0.55 0.74 5.44 6.56 -1.90 0.42 116.57 130.42 2e7n h LYS 27 Ca -0.48 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.04 2e7n h LYS 27 Cb 1.19 -0.12 0.01 0.00 -0.57 0.00 0.00 32.23 32.74 2e7n h LYS 27 CO 0.68 0.37 -0.36 -0.22 -2.06 0.00 0.00 179.45 177.86 2e7n h LYS 28 N 0.57 -0.96 -0.04 3.15 3.11 -1.94 -3.03 116.57 117.42 2e7n h LYS 28 Ca 0.20 0.07 -0.12 0.00 -2.81 0.00 0.00 60.65 57.99 2e7n h LYS 28 Cb 0.09 0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 2e7n h LYS 28 CO -0.05 -0.63 -0.52 0.45 -2.81 0.00 0.00 179.45 175.89 2e7n h HIS 29 N -1.02 0.15 -0.78 1.91 3.86 -1.78 -3.23 115.15 114.25 2e7n h HIS 29 Ca -0.10 -0.05 0.23 0.00 -1.16 0.00 0.00 60.37 59.29 2e7n h HIS 29 Cb 0.77 -0.03 -0.14 0.00 1.06 0.00 0.00 27.41 29.07 2e7n h HIS 29 CO -0.02 0.61 0.09 0.00 0.86 0.00 0.00 177.93 179.47 2e7n n ALA 30 N -2.46 0.47 -0.35 2.45 0.00 0.14 0.80 120.51 121.57 2e7n n ALA 30 Ca -0.02 0.83 0.13 0.00 0.00 0.00 0.00 53.44 54.38 2e7n n ALA 30 Cb 0.54 -0.64 0.25 0.00 0.00 0.00 0.00 19.45 19.60 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 1.56 1.05 -0.05 0.00 0.00 -1.64 0.28 119.26 120.46 2e7n h ALA 31 Ca 0.51 0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.76 2e7n h ALA 31 Cb 1.11 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2e7n h ALA 31 CO -0.71 -0.53 -0.24 2.48 0.00 0.00 0.00 179.25 180.25 2e7n n TYR 32 N -5.53 0.15 -0.53 0.00 0.18 0.24 -4.53 117.16 107.14 2e7n n TYR 32 Ca 0.22 -1.29 0.00 0.00 1.88 0.00 0.00 57.90 58.71 2e7n n TYR 32 Cb 0.70 -0.24 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 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 -1.21 1.24 0.05 -3.48 0.00 0.72 -4.14 120.51 113.68 2e7n n ALA 33 Ca 0.19 -0.34 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 2e7n n ALA 33 Cb 0.71 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.04 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 0.01 -0.03 0.00 5.08 -1.09 -3.28 115.95 116.64 2e7n h TRP 34 Ca 0.00 -0.01 0.01 0.00 1.08 0.00 0.00 58.89 59.97 2e7n h TRP 34 Cb 0.36 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.52 2e7n h TRP 34 CO 0.00 1.01 0.61 -1.35 -1.28 0.00 0.00 178.44 177.42 2e7n h PRO 35 N 0.00 0.00 -0.53 0.12 0.11 -1.85 0.67 132.00 130.52 2e7n h PRO 35 Ca -0.06 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.66 2e7n h PRO 35 Cb 1.81 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.61 2e7n h PRO 35 CO 0.12 0.00 -0.74 1.19 -0.21 0.00 0.00 178.00 178.37 2e7n n PHE 36 N -2.77 1.96 -0.12 0.65 3.72 -1.23 -4.74 117.46 114.92 2e7n n PHE 36 Ca -0.00 -2.01 -0.23 0.00 -0.05 0.00 0.00 57.45 55.16 2e7n n PHE 36 Cb 0.64 -0.31 -0.08 0.00 -0.94 0.00 0.00 39.48 38.79 2e7n n PHE 36 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2e7n n TYR 37 N -0.81 0.12 -3.57 1.38 4.02 0.23 -2.71 117.16 115.82 2e7n n TYR 37 Ca 0.36 0.05 -0.32 0.00 -0.01 0.00 0.00 57.90 57.99 2e7n n TYR 37 Cb 0.89 -0.86 -0.05 0.00 -0.02 0.00 0.00 39.34 39.30 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 -2.60 3.69 0.77 -0.72 -0.14 -1.26 -4.41 119.74 115.08 2e7n s LYS 38 Ca -0.34 0.06 -0.11 0.00 -1.36 0.00 0.00 55.97 54.22 2e7n s LYS 38 Cb 0.11 -2.77 0.05 0.00 -1.68 0.00 0.00 37.83 33.54 2e7n s LYS 38 CO 0.47 0.41 1.09 -1.25 -0.76 0.00 0.00 175.35 175.31 2e7n s PRO 39 N -2.70 2.27 -0.19 -1.68 0.04 -1.26 -5.04 135.00 126.44 2e7n s PRO 39 Ca 0.43 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 2e7n s PRO 39 Cb -0.12 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2e7n s PRO 39 CO 0.23 -1.63 -0.13 0.54 0.04 0.00 0.00 177.00 176.05 2e7n s VAL 40 N -2.88 2.71 -0.93 -0.36 0.11 -1.26 -5.05 120.40 112.75 2e7n s VAL 40 Ca 0.61 -0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 58.92 2e7n s VAL 40 Cb -0.17 -2.18 0.26 0.00 -1.53 0.00 0.00 36.38 32.76 2e7n s VAL 40 CO 0.55 0.49 1.05 -0.67 -3.33 0.00 0.00 175.10 173.19 2e7n n ASP 41 N 4.53 4.99 -0.37 3.54 -0.08 -1.26 -4.93 116.55 122.98 2e7n n ASP 41 Ca -0.19 -3.29 -0.05 0.00 -1.51 0.00 0.00 54.79 49.74 2e7n n ASP 41 Cb 0.51 -1.07 -0.02 0.00 2.34 0.00 0.00 41.12 42.87 2e7n n ASP 41 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e7n n ALA 42 N 1.68 -0.34 -0.35 -1.67 0.00 -1.26 0.15 120.51 118.72 2e7n n ALA 42 Ca 0.25 0.86 0.23 0.00 0.00 0.00 0.00 53.44 54.78 2e7n n ALA 42 Cb 0.37 -0.28 0.47 0.00 0.00 0.00 0.00 19.45 20.01 2e7n n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2e7n h GLU 43 N 0.00 0.40 0.15 0.00 5.08 -1.91 0.21 114.58 118.50 2e7n h GLU 43 Ca 0.24 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.27 2e7n h GLU 43 Cb 0.47 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.66 2e7n h GLU 43 CO -0.90 0.26 -1.27 0.00 -1.00 0.00 0.00 179.01 176.11 2e7n h ALA 44 N 1.71 -0.04 -0.39 3.43 0.00 1.00 -3.24 119.26 121.73 2e7n h ALA 44 Ca 0.67 -0.78 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2e7n h ALA 44 Cb 1.57 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.38 2e7n h ALA 44 CO -0.45 0.67 0.21 1.28 0.00 0.00 0.00 179.25 180.96 2e7n n LEU 45 N -3.80 4.23 -3.31 0.00 4.32 0.92 -4.85 117.00 114.51 2e7n n LEU 45 Ca -0.14 -2.19 -0.21 0.00 -0.02 0.00 0.00 56.01 53.44 2e7n n LEU 45 Cb 1.00 -0.63 -0.04 0.00 -1.62 0.00 0.00 43.42 42.13 2e7n n LEU 45 CO 0.58 0.66 -0.08 -1.84 -1.22 0.00 0.00 177.39 175.49 2e7n n GLU 46 N -0.09 -1.65 -1.55 3.23 0.28 0.39 -4.75 120.64 116.49 2e7n n GLU 46 Ca 0.22 0.07 -0.37 0.00 -0.16 0.00 0.00 57.16 56.93 2e7n n GLU 46 Cb 0.92 -4.05 0.06 0.00 1.43 0.00 0.00 31.44 29.80 2e7n n GLU 46 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2e7n n LEU 47 N -2.98 7.61 -0.29 -1.84 4.77 0.06 -4.72 117.00 119.62 2e7n n LEU 47 Ca 0.06 -4.50 0.34 0.00 -0.03 0.00 0.00 56.01 51.88 2e7n n LEU 47 Cb 0.41 -1.00 0.65 0.00 -2.33 0.00 0.00 43.42 41.15 2e7n n LEU 47 CO 0.47 1.58 1.31 -0.74 -1.33 0.00 0.00 177.39 178.68 2e7n h HIS 48 N 2.36 0.00 -0.19 -1.77 2.76 -1.86 0.69 115.15 117.15 2e7n h HIS 48 Ca 0.59 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.70 2e7n h HIS 48 Cb 0.54 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 2e7n h HIS 48 CO 1.34 0.00 -0.12 -0.44 -1.30 0.00 0.00 177.93 177.41 2e7n h ASP 49 N 0.00 0.43 -1.08 3.26 3.32 -1.96 -3.10 116.42 117.29 2e7n h ASP 49 Ca 0.56 -0.43 0.43 0.00 0.02 0.00 0.00 57.03 57.60 2e7n h ASP 49 Cb 2.66 -0.12 -0.17 0.00 0.22 0.00 0.00 39.33 41.92 2e7n h ASP 49 CO -0.01 0.77 0.62 0.00 -1.72 0.00 0.00 179.24 178.91 2e7n n TYR 50 N -4.54 1.03 -0.02 4.55 9.36 0.24 0.41 117.16 128.18 2e7n n TYR 50 Ca -0.05 1.04 -0.13 0.00 3.32 0.00 0.00 57.90 62.07 2e7n n TYR 50 Cb 0.34 -1.45 -0.11 0.00 -0.63 0.00 0.00 39.34 37.50 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 0.00 -0.02 -0.96 2.98 3.86 -1.62 -0.23 115.15 119.15 2e7n h HIS 51 Ca 0.84 -0.00 0.29 0.00 -1.16 0.00 0.00 60.37 60.35 2e7n h HIS 51 Cb 2.37 0.01 -0.17 0.00 1.06 0.00 0.00 27.41 30.67 2e7n h HIS 51 CO -0.01 0.62 0.20 -0.44 0.86 0.00 0.00 177.93 179.16 2e7n h ASP 52 N -0.70 -0.17 0.00 2.45 5.19 -0.00 -2.05 116.42 121.14 2e7n h ASP 52 Ca -0.00 0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.63 2e7n h ASP 52 Cb 0.65 0.38 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 2e7n h ASP 52 CO 0.00 -0.32 -0.27 0.40 -3.12 0.00 0.00 179.24 175.94 2e7n h ILE 53 N 0.06 0.70 -3.50 0.35 5.03 -1.47 -3.44 117.51 115.24 2e7n h ILE 53 Ca 0.64 -1.60 -0.61 0.00 -0.12 0.00 0.00 64.86 63.17 2e7n h ILE 53 Cb 1.42 1.40 -0.12 0.00 -3.03 0.00 0.00 36.82 36.50 2e7n h ILE 53 CO -0.82 0.24 0.13 -0.63 -0.68 0.00 0.00 178.15 176.40 2e7n s ILE 54 N -1.99 4.99 -0.21 -0.67 -1.09 -0.10 -4.95 121.20 117.18 2e7n s ILE 54 Ca -0.13 1.07 -0.20 0.00 -2.23 0.00 0.00 60.65 59.17 2e7n s ILE 54 Cb 0.00 -3.92 -0.17 0.00 -1.58 0.00 0.00 42.46 36.79 2e7n s ILE 54 CO 0.34 0.02 0.14 0.29 -1.23 0.00 0.00 174.94 174.51 2e7n n LYS 55 N 5.70 0.55 -3.83 2.79 5.02 -1.25 -4.17 118.16 122.97 2e7n n LYS 55 Ca -0.01 0.56 -0.31 0.00 -2.02 0.00 0.00 58.31 56.52 2e7n n LYS 55 Cb 0.49 -1.73 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 2e7n n LYS 55 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2e7n s HIS 56 N -2.36 3.50 0.39 2.13 -3.43 -1.26 -5.09 115.29 109.17 2e7n s HIS 56 Ca -0.28 -3.14 -0.26 0.00 -0.80 0.00 0.00 55.06 50.58 2e7n s HIS 56 Cb 0.06 -2.92 -0.09 0.00 -1.43 0.00 0.00 32.58 28.20 2e7n s HIS 56 CO 0.55 -0.68 1.19 -1.25 -2.00 0.00 0.00 174.74 172.55 2e7n s PRO 57 N -0.91 4.10 0.07 -0.38 0.04 -1.26 -4.95 135.00 131.71 2e7n s PRO 57 Ca 0.22 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2e7n s PRO 57 Cb -0.13 -2.75 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 2e7n s PRO 57 CO -0.09 -0.30 -0.06 1.41 0.04 0.00 0.00 177.00 178.00 2e7n s MET 58 N -2.20 0.71 0.15 4.56 1.75 -1.26 -5.08 119.30 117.93 2e7n s MET 58 Ca 0.56 -1.18 -0.16 0.00 -1.25 0.00 0.00 55.69 53.66 2e7n s MET 58 Cb -0.32 -0.12 0.03 0.00 2.84 0.00 0.00 34.83 37.26 2e7n s MET 58 CO 0.41 -0.03 0.44 0.16 -0.65 0.00 0.00 175.02 175.35 2e7n s ASP 59 N -2.69 -0.25 0.19 1.11 1.47 -1.26 -4.79 116.67 110.46 2e7n s ASP 59 Ca 0.06 -0.37 -0.12 0.00 1.18 0.00 0.00 52.55 53.30 2e7n s ASP 59 Cb 0.02 0.51 0.21 0.00 -0.34 0.00 0.00 42.92 43.32 2e7n s ASP 59 CO -0.05 -0.92 1.73 -0.07 0.68 0.00 0.00 175.17 176.55 2e7n h LEU 60 N 2.31 0.10 -0.94 2.11 3.38 -1.85 -1.87 115.31 118.54 2e7n h LEU 60 Ca -0.32 0.08 0.24 0.00 0.09 0.00 0.00 57.88 57.96 2e7n h LEU 60 Cb 1.26 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.93 2e7n h LEU 60 CO 0.44 0.08 -0.02 0.77 0.09 0.00 0.00 178.44 179.79 2e7n h SER 61 N 0.30 -0.52 -0.28 -0.43 4.64 -1.77 0.40 113.55 115.89 2e7n h SER 61 Ca 0.26 0.27 -0.07 0.00 -0.47 0.00 0.00 61.79 61.78 2e7n h SER 61 Cb 0.33 0.48 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 2e7n h SER 61 CO -0.30 -0.31 -0.09 0.74 -0.87 0.00 0.00 176.83 176.00 2e7n h THR 62 N 0.03 1.29 -0.67 2.95 2.02 -1.73 -2.53 112.91 114.27 2e7n h THR 62 Ca 0.54 -1.13 0.12 0.00 0.77 0.00 0.00 66.41 66.71 2e7n h THR 62 Cb 1.04 1.45 -0.09 0.00 -1.74 0.00 0.00 68.15 68.81 2e7n h THR 62 CO -0.89 0.36 0.22 0.58 0.37 0.00 0.00 175.52 176.16 2e7n h VAL 63 N 0.31 0.68 0.55 3.16 2.07 0.07 0.11 116.25 123.20 2e7n h VAL 63 Ca 0.07 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2e7n h VAL 63 Cb 0.58 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2e7n h VAL 63 CO 0.03 0.07 -0.26 0.50 0.02 0.00 0.00 177.57 177.93 2e7n h LYS 64 N 0.37 -0.71 -0.89 1.57 3.64 -1.05 0.13 116.57 119.63 2e7n h LYS 64 Ca 0.35 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 60.02 2e7n h LYS 64 Cb 0.51 0.16 -0.14 0.00 -0.41 0.00 0.00 32.23 32.35 2e7n h LYS 64 CO -0.38 -0.48 0.30 0.00 -2.27 0.00 0.00 179.45 176.62 2e7n h ARG 65 N -0.90 0.26 0.17 1.90 3.08 -1.26 0.22 114.38 117.85 2e7n h ARG 65 Ca -0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2e7n h ARG 65 Cb 0.57 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2e7n h ARG 65 CO 0.12 0.17 -0.08 0.87 -1.07 0.00 0.00 179.97 179.98 2e7n h LYS 66 N 0.27 -0.22 -0.69 0.04 1.57 -0.74 -3.00 116.57 113.79 2e7n h LYS 66 Ca 0.56 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.44 2e7n h LYS 66 Cb 1.13 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.42 2e7n h LYS 66 CO -0.61 0.05 0.35 1.98 -0.57 0.00 0.00 179.45 180.64 2e7n h MET 67 N -0.48 0.59 -0.57 3.15 4.05 0.74 -1.03 114.93 121.38 2e7n h MET 67 Ca -0.02 -0.04 0.12 0.00 -0.28 0.00 0.00 59.70 59.48 2e7n h MET 67 Cb 0.37 -0.13 -0.10 0.00 -0.80 0.00 0.00 31.60 30.94 2e7n h MET 67 CO 0.04 0.39 -0.04 0.22 0.23 0.00 0.00 176.91 177.75 2e7n h ASP 68 N 0.61 -0.32 -0.07 1.39 3.58 -0.57 0.37 116.42 121.40 2e7n h ASP 68 Ca 0.33 0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.92 2e7n h ASP 68 Cb 0.32 0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 2e7n h ASP 68 CO -0.25 -0.12 0.01 0.61 -2.88 0.00 0.00 179.24 176.61 2e7n n GLY 69 N -1.36 1.74 2.26 -0.78 0.00 -0.78 -4.82 105.19 101.45 2e7n n GLY 69 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 0.10 -2.02 -0.22 1.61 5.12 0.13 -4.78 116.66 116.60 2e7n n ARG 70 Ca 0.04 0.54 0.17 0.00 -1.93 0.00 0.00 57.85 56.66 2e7n n ARG 70 Cb 0.39 -5.01 0.49 0.00 -1.16 0.00 0.00 32.46 27.18 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 0.00 0.43 -6.16 5.56 4.39 -1.38 -3.39 114.58 114.02 2e7n h GLU 71 Ca -0.24 -0.03 -0.57 0.00 0.34 0.00 0.00 59.36 58.87 2e7n h GLU 71 Cb 1.04 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.54 2e7n h GLU 71 CO 0.30 0.28 0.76 0.71 -1.16 0.00 0.00 179.01 179.90 2e7n s TYR 72 N -5.45 3.26 0.21 4.33 2.02 -1.26 -4.89 117.35 115.57 2e7n s TYR 72 Ca -0.08 1.37 -0.02 0.00 -0.37 0.00 0.00 57.07 57.97 2e7n s TYR 72 Cb 0.22 -3.32 0.19 0.00 -0.40 0.00 0.00 41.96 38.65 2e7n s TYR 72 CO 0.78 -0.78 1.57 -1.00 -1.57 0.00 0.00 175.55 174.55 2e7n h PRO 73 N 7.53 0.58 -3.27 -1.71 0.13 -1.85 -3.47 132.00 129.94 2e7n h PRO 73 Ca -0.25 -0.31 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 2e7n h PRO 73 Cb 1.10 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 2e7n h PRO 73 CO 0.94 0.90 0.06 0.16 -0.23 0.00 0.00 178.00 179.83 2e7n s ASP 74 N -6.86 -0.26 0.33 1.44 1.47 -1.26 -4.69 116.67 106.84 2e7n s ASP 74 Ca -0.08 -0.53 0.09 0.00 1.18 0.00 0.00 52.55 53.22 2e7n s ASP 74 Cb 0.12 0.61 0.99 0.00 -0.34 0.00 0.00 42.92 44.30 2e7n s ASP 74 CO 0.83 -1.11 1.57 0.00 0.68 0.00 0.00 175.17 177.13 2e7n n ALA 75 N -0.37 0.71 -0.35 2.11 0.00 -1.26 0.16 120.51 121.51 2e7n n ALA 75 Ca -0.08 1.05 0.04 0.00 0.00 0.00 0.00 53.44 54.45 2e7n n ALA 75 Cb 0.62 -0.87 0.19 0.00 0.00 0.00 0.00 19.45 19.39 2e7n n ALA 75 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2e7n h GLN 76 N 0.00 0.99 -0.60 0.00 1.08 -1.98 -0.62 115.11 113.97 2e7n h GLN 76 Ca 0.70 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.74 2e7n h GLN 76 Cb 1.63 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 28.82 2e7n h GLN 76 CO -0.87 0.66 -0.01 0.78 -0.95 0.00 0.00 178.83 178.44 2e7n h GLY 77 N 1.02 1.15 0.67 3.46 0.00 0.11 0.88 103.07 110.37 2e7n h GLY 77 Ca 0.44 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2e7n h GLY 77 CO -0.22 0.78 -0.13 -2.75 0.00 0.00 0.00 176.54 174.22 2e7n h PHE 78 N 0.97 -0.34 -0.57 5.60 3.57 -0.86 -3.24 116.94 122.07 2e7n h PHE 78 Ca 0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2e7n h PHE 78 Cb 0.56 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2e7n h PHE 78 CO 0.04 -0.01 0.29 0.00 -2.23 0.00 0.00 178.31 176.40 2e7n h ALA 79 N -0.10 0.73 -0.73 2.41 0.00 -1.17 -3.01 119.26 117.39 2e7n h ALA 79 Ca -0.04 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 54.91 2e7n h ALA 79 Cb 0.48 -0.23 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 2e7n h ALA 79 CO 0.06 0.28 -0.16 0.00 0.00 0.00 0.00 179.25 179.43 2e7n n ALA 80 N -2.32 0.20 0.17 0.00 0.00 0.30 -0.96 120.51 117.91 2e7n n ALA 80 Ca 0.03 0.80 -0.07 0.00 0.00 0.00 0.00 53.44 54.20 2e7n n ALA 80 Cb 0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.39 -0.73 0.00 5.19 -1.61 -2.99 116.42 115.89 2e7n h ASP 81 Ca 0.36 0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.89 2e7n h ASP 81 Cb 0.58 0.10 -0.11 0.00 0.18 0.00 0.00 39.33 40.08 2e7n h ASP 81 CO -0.74 -0.18 -0.31 0.52 -3.12 0.00 0.00 179.24 175.41 2e7n n VAL 82 N -3.81 -0.41 -0.15 -1.35 0.31 -0.13 0.13 118.33 112.92 2e7n n VAL 82 Ca -0.06 1.72 -0.02 0.00 -0.01 0.00 0.00 64.34 65.97 2e7n n VAL 82 Cb 0.18 -2.24 0.06 0.00 -0.91 0.00 0.00 33.84 30.93 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 0.12 -0.83 5.55 3.08 -1.19 -0.19 114.38 120.92 2e7n h ARG 83 Ca 0.23 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.31 2e7n h ARG 83 Cb 0.41 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 2e7n h ARG 83 CO -0.72 0.08 0.55 1.25 -1.07 0.00 0.00 179.97 180.06 2e7n h LEU 84 N 0.12 0.86 0.48 3.04 5.85 0.13 -1.02 115.31 124.77 2e7n h LEU 84 Ca 0.24 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2e7n h LEU 84 Cb 0.36 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2e7n h LEU 84 CO -0.40 0.58 -0.23 -0.03 -0.34 0.00 0.00 178.44 178.02 2e7n h MET 85 N 0.99 -0.62 -0.52 1.25 4.05 0.57 -1.37 114.93 119.27 2e7n h MET 85 Ca 0.34 0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.83 2e7n h MET 85 Cb 0.11 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.02 2e7n h MET 85 CO -0.11 -0.39 0.34 0.74 0.23 0.00 0.00 176.91 177.72 2e7n h PHE 86 N -0.70 0.60 0.31 1.39 0.04 -1.05 -2.06 116.94 115.47 2e7n h PHE 86 Ca -0.07 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 2e7n h PHE 86 Cb 0.52 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.48 2e7n h PHE 86 CO -0.03 0.36 -0.15 0.77 -0.60 0.00 0.00 178.31 178.65 2e7n h SER 87 N 0.63 -0.36 -0.45 2.17 0.02 -0.90 -3.12 113.55 111.54 2e7n h SER 87 Ca 0.20 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 2e7n h SER 87 Cb 0.04 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 2e7n h SER 87 CO -0.05 -0.13 0.16 0.78 -1.14 0.00 0.00 176.83 176.45 2e7n h ASN 88 N -0.58 0.18 -0.01 3.07 2.35 -0.94 -1.05 115.58 118.59 2e7n h ASN 88 Ca -0.04 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2e7n h ASN 88 Cb 0.42 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2e7n h ASN 88 CO 0.07 0.13 -0.01 0.00 -1.65 0.00 0.00 177.43 175.98 2e7n h TYR 90 N 0.00 1.06 -1.06 0.00 0.05 -1.58 -0.17 116.97 115.28 2e7n h TYR 90 Ca 0.00 -0.11 0.30 0.00 0.05 0.00 0.00 58.73 58.98 2e7n h TYR 90 Cb 0.00 -0.31 -0.12 0.00 1.01 0.00 0.00 36.73 37.31 2e7n h TYR 90 CO -0.78 0.86 0.65 -0.22 -1.05 0.00 0.00 178.16 177.62 2e7n h LYS 91 N 0.98 0.36 0.00 4.88 3.11 0.60 -3.25 116.57 123.25 2e7n h LYS 91 Ca 0.21 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.03 2e7n h LYS 91 Cb 0.31 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2e7n h LYS 91 CO -0.00 0.24 -0.04 0.98 -2.81 0.00 0.00 179.45 177.81 2e7n n TYR 92 N -4.83 0.01 -1.59 1.91 9.36 0.12 -4.98 117.16 117.16 2e7n n TYR 92 Ca 0.29 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 61.09 2e7n n TYR 92 Cb 0.96 -0.07 -0.01 0.00 -0.63 0.00 0.00 39.34 39.59 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 1.14 -4.75 2.98 3.02 -0.10 -4.94 115.26 110.05 2e7n n ASN 93 Ca -0.01 1.12 -0.31 0.00 -0.03 0.00 0.00 54.58 55.35 2e7n n ASN 93 Cb 0.02 -1.30 0.11 0.00 -0.61 0.00 0.00 39.78 38.00 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 -1.70 1.95 0.00 3.52 0.04 -1.26 -4.59 135.00 132.96 2e7n s PRO 94 Ca 0.60 1.06 0.16 0.00 0.04 0.00 0.00 61.00 62.86 2e7n s PRO 94 Cb -0.65 -1.87 0.91 0.00 0.04 0.00 0.00 34.50 32.94 2e7n s PRO 94 CO 0.59 -1.83 1.36 -0.35 0.04 0.00 0.00 177.00 176.81 2e7n n PRO 95 N -3.63 0.45 -0.09 0.56 -0.04 -1.26 -2.34 135.00 128.65 2e7n n PRO 95 Ca 0.08 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 2e7n n PRO 95 Cb 0.54 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 2e7n n PRO 95 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2e7n n ASP 96 N -1.04 0.53 -4.66 3.54 5.75 -1.26 -4.97 116.55 114.44 2e7n n ASP 96 Ca 0.11 -0.00 -0.54 0.00 -0.01 0.00 0.00 54.79 54.35 2e7n n ASP 96 Cb 0.06 0.91 -0.06 0.00 -1.03 0.00 0.00 41.12 40.99 2e7n n ASP 96 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2e7n n HIS 97 N -2.70 1.88 -0.21 2.11 -0.00 -0.99 -4.83 115.22 110.48 2e7n n HIS 97 Ca -0.30 0.52 0.03 0.00 0.46 0.00 0.00 57.72 58.43 2e7n n HIS 97 Cb 1.09 -2.43 0.29 0.00 -0.12 0.00 0.00 29.99 28.82 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 6.28 0.89 -1.04 1.57 4.11 -1.93 -1.92 114.58 122.54 2e7n h GLU 98 Ca -0.47 -0.05 0.27 0.00 0.07 0.00 0.00 59.36 59.17 2e7n h GLU 98 Cb 1.32 -0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 2e7n h GLU 98 CO 0.89 0.59 0.66 -0.24 0.07 0.00 0.00 179.01 180.98 2e7n h VAL 99 N 0.92 0.52 -0.59 -1.06 3.04 -1.96 0.14 116.25 117.26 2e7n h VAL 99 Ca 0.30 -0.14 0.02 0.00 -1.01 0.00 0.00 66.70 65.87 2e7n h VAL 99 Cb 0.04 0.06 -0.04 0.00 -2.01 0.00 0.00 31.29 29.35 2e7n h VAL 99 CO -0.08 0.08 0.36 0.58 -1.01 0.00 0.00 177.57 177.50 2e7n h VAL 100 N 0.42 1.08 0.00 1.51 2.07 -1.67 -0.99 116.25 118.67 2e7n h VAL 100 Ca 0.61 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.86 2e7n h VAL 100 Cb 1.47 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2e7n h VAL 100 CO -0.33 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.29 2e7n h ALA 101 N 1.25 1.67 0.07 1.67 0.00 -0.85 -2.43 119.26 120.64 2e7n h ALA 101 Ca 0.23 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 2e7n h ALA 101 Cb 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.80 2e7n h ALA 101 CO -0.09 0.14 -1.16 0.52 0.00 0.00 0.00 179.25 178.66 2e7n h MET 102 N 0.00 0.66 -0.80 0.00 2.86 -0.99 -3.26 114.93 113.40 2e7n h MET 102 Ca -0.00 -0.80 0.03 0.00 -2.06 0.00 0.00 59.70 56.87 2e7n h MET 102 Cb 0.21 0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 2e7n h MET 102 CO 0.01 1.36 0.53 0.00 1.06 0.00 0.00 176.91 179.87 2e7n h ALA 103 N 0.35 1.51 -0.09 6.32 0.00 -0.74 -2.57 119.26 124.04 2e7n h ALA 103 Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2e7n h ALA 103 Cb 1.82 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2e7n h ALA 103 CO 0.22 0.42 0.05 0.00 0.00 0.00 0.00 179.25 179.95 2e7n h ARG 104 N 1.00 0.11 -0.66 0.00 3.08 -1.54 0.47 114.38 116.83 2e7n h ARG 104 Ca 0.32 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.50 2e7n h ARG 104 Cb 0.02 -0.02 -0.12 0.00 0.08 0.00 0.00 29.97 29.93 2e7n h ARG 104 CO -0.09 0.07 -0.06 0.87 -1.07 0.00 0.00 179.97 179.69 2e7n h LYS 105 N 0.11 0.07 -0.03 0.04 1.57 -1.50 0.15 116.57 116.97 2e7n h LYS 105 Ca 0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2e7n h LYS 105 Cb -0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2e7n h LYS 105 CO -0.01 0.04 -0.03 1.25 -0.57 0.00 0.00 179.45 180.14 2e7n h LEU 106 N 0.07 0.08 -0.66 2.94 5.85 -1.43 -3.19 115.31 118.97 2e7n h LEU 106 Ca 0.34 -0.47 0.14 0.00 0.84 0.00 0.00 57.88 58.73 2e7n h LEU 106 Cb 0.56 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.46 2e7n h LEU 106 CO -0.61 0.53 0.08 -0.61 -0.34 0.00 0.00 178.44 177.49 2e7n h GLN 107 N -0.37 0.18 -0.43 1.25 4.15 0.01 -0.66 115.11 119.24 2e7n h GLN 107 Ca 0.01 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.50 2e7n h GLN 107 Cb 0.51 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.07 2e7n h GLN 107 CO 0.01 0.12 -0.11 0.22 -1.93 0.00 0.00 178.83 177.13 2e7n h ASP 108 N 0.18 -0.42 -0.15 -0.69 3.58 -0.75 0.15 116.42 118.32 2e7n h ASP 108 Ca 0.36 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.94 2e7n h ASP 108 Cb 0.59 0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2e7n h ASP 108 CO -0.51 -0.15 0.10 0.58 -2.88 0.00 0.00 179.24 176.38 2e7n h VAL 109 N -0.01 1.04 0.00 2.25 2.07 -1.15 -0.32 116.25 120.13 2e7n h VAL 109 Ca 0.21 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2e7n h VAL 109 Cb 0.32 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2e7n h VAL 109 CO -0.45 0.04 -0.03 0.15 0.02 0.00 0.00 177.57 177.30 2e7n h PHE 110 N 0.21 0.00 0.14 1.57 3.04 -0.48 0.27 116.94 121.69 2e7n h PHE 110 Ca 0.06 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 2e7n h PHE 110 Cb -0.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.49 2e7n h PHE 110 CO -0.07 0.03 -0.07 0.93 -2.02 0.00 0.00 178.31 177.11 2e7n h GLU 111 N 0.00 -0.19 -0.19 1.11 4.39 0.02 -2.97 114.58 116.75 2e7n h GLU 111 Ca -0.00 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2e7n h GLU 111 Cb 0.05 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2e7n h GLU 111 CO 0.00 0.18 -0.04 0.00 -1.16 0.00 0.00 179.01 177.99 2e7n h MET 112 N -0.96 0.29 0.16 2.33 -0.00 -0.91 -2.91 114.93 112.93 2e7n h MET 112 Ca -0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 2e7n h MET 112 Cb 0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 2e7n h MET 112 CO 0.03 0.36 -0.08 0.00 -0.00 0.00 0.00 176.91 177.22 2e7n h ARG 113 N 0.28 -0.20 -0.79 -0.10 2.47 -0.55 -0.49 114.38 115.00 2e7n h ARG 113 Ca 0.06 0.01 0.17 0.00 -1.26 0.00 0.00 59.98 58.97 2e7n h ARG 113 Cb 0.27 0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 28.53 2e7n h ARG 113 CO 0.01 -0.09 0.29 0.35 0.56 0.00 0.00 179.97 181.09 2e7n h PHE 114 N -0.27 0.48 -0.09 3.04 3.04 -1.34 -1.47 116.94 120.33 2e7n h PHE 114 Ca -0.02 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2e7n h PHE 114 Cb 0.21 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 2e7n h PHE 114 CO -0.05 -0.01 -0.03 0.00 -2.02 0.00 0.00 178.31 176.20 2e7n h ALA 115 N 1.61 0.13 -0.82 2.41 0.00 -1.46 -3.16 119.26 117.97 2e7n h ALA 115 Ca 0.45 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 55.37 2e7n h ALA 115 Cb 0.77 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.37 2e7n h ALA 115 CO -0.47 -0.14 0.04 1.63 0.00 0.00 0.00 179.25 180.32 2e7n n LYS 116 N -4.77 -0.06 0.00 0.00 4.76 -0.21 -5.13 118.16 112.74 2e7n n LYS 116 Ca -0.07 1.23 0.00 0.00 -2.87 0.00 0.00 58.31 56.60 2e7n n LYS 116 Cb 0.24 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 2e7n n LYS 116 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91