#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n81 s HIS 22 N 0.00 1.73 0.57 2.98 5.65 -1.26 -5.10 115.29 119.86 1n81 s HIS 22 Ca 0.00 -2.24 -0.19 0.00 0.25 0.00 0.00 55.06 52.88 1n81 s HIS 22 Cb 0.00 -1.70 -0.05 0.00 -1.18 0.00 0.00 32.58 29.65 1n81 s HIS 22 CO 0.00 -0.80 1.15 -0.47 -0.65 0.00 0.00 174.74 173.97 1n81 s TYR 23 N 0.56 2.59 -0.64 3.88 5.04 -1.26 -4.64 117.35 122.88 1n81 s TYR 23 Ca 0.17 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.34 1n81 s TYR 23 Cb -0.24 -3.33 0.00 0.00 0.35 0.00 0.00 41.96 38.74 1n81 s TYR 23 CO -0.01 -1.76 0.00 0.39 -1.34 0.00 0.00 175.55 172.84 1n81 n GLU 24 N -1.46 0.00 0.00 4.97 1.02 -1.26 -4.48 120.64 119.43 1n81 n GLU 24 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1n81 n GLU 24 Cb 0.51 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 1n81 n GLU 24 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1n81 n HIS 25 N 0.19 0.00 -3.69 -0.32 8.25 -1.26 -4.66 115.22 113.73 1n81 n HIS 25 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1n81 n HIS 25 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 1n81 n HIS 25 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1n81 s GLU 26 N 0.00 0.80 -0.07 -0.41 0.41 -1.26 -5.18 118.70 113.00 1n81 s GLU 26 Ca 0.00 -0.44 -0.01 0.00 -0.41 0.00 0.00 54.97 54.10 1n81 s GLU 26 Cb 0.00 0.27 -0.03 0.00 -1.78 0.00 0.00 34.13 32.59 1n81 s GLU 26 CO 0.00 -0.37 0.02 0.99 -0.49 0.00 0.00 175.26 175.41 1n81 s THR 27 N -2.86 4.39 -0.29 3.63 2.01 -1.26 -4.67 115.64 116.58 1n81 s THR 27 Ca 0.13 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1n81 s THR 27 Cb 0.02 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1n81 s THR 27 CO -0.01 0.54 0.26 1.57 -0.69 0.00 0.00 174.62 176.30 1n81 n HIS 28 N 1.91 -0.90 -0.06 4.92 -0.00 -1.26 -5.04 115.22 114.79 1n81 n HIS 28 Ca -0.17 0.33 -0.03 0.00 0.46 0.00 0.00 57.72 58.31 1n81 n HIS 28 Cb 0.53 -2.68 0.03 0.00 -0.12 0.00 0.00 29.99 27.75 1n81 n HIS 28 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1n81 n ALA 29 N -1.64 -0.52 -1.66 1.57 0.00 -1.26 -4.42 120.51 112.58 1n81 n ALA 29 Ca -0.01 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1n81 n ALA 29 Cb 0.52 -0.01 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 1n81 n ALA 29 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1n81 s PRO 30 N -2.24 1.87 0.17 0.00 0.02 -1.26 -4.84 135.00 128.72 1n81 s PRO 30 Ca 0.07 0.53 -0.30 0.00 0.02 0.00 0.00 61.00 61.31 1n81 s PRO 30 Cb -0.01 -4.78 -0.17 0.00 0.02 0.00 0.00 34.50 29.56 1n81 s PRO 30 CO 0.06 -4.03 0.71 -0.11 -0.33 0.00 0.00 177.00 173.30 1n81 n LEU 31 N 17.28 -0.53 -4.69 -5.54 7.94 -1.26 -4.74 117.00 125.46 1n81 n LEU 31 Ca 0.43 1.14 -0.44 0.00 -1.11 0.00 0.00 56.01 56.03 1n81 n LEU 31 Cb 0.46 -1.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.38 1n81 n LEU 31 CO 0.59 -2.52 1.25 -0.24 -1.11 0.00 0.00 177.39 175.36 1n81 n SER 32 N 1.84 3.44 0.26 1.96 2.88 -1.26 -4.85 113.62 117.88 1n81 n SER 32 Ca 0.17 1.08 0.11 0.00 -1.33 0.00 0.00 58.87 58.90 1n81 n SER 32 Cb 0.23 -1.49 0.69 0.00 -0.75 0.00 0.00 64.21 62.89 1n81 n SER 32 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1n81 h PRO 33 N 6.11 0.00 -0.56 -1.46 0.11 -2.00 -2.04 132.00 132.16 1n81 h PRO 33 Ca -0.44 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1n81 h PRO 33 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1n81 h PRO 33 CO 0.90 0.11 0.09 -0.09 -0.21 0.00 0.00 178.00 178.81 1n81 h ARG 34 N 0.00 0.93 -0.21 1.05 2.43 -1.97 -0.25 114.38 116.35 1n81 h ARG 34 Ca -0.00 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1n81 h ARG 34 Cb 0.26 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1n81 h ARG 34 CO 0.01 0.89 0.10 0.82 -1.51 0.00 0.00 179.97 180.29 1n81 h ILE 35 N 0.82 1.14 -0.34 1.20 1.08 -1.73 -0.18 117.51 119.50 1n81 h ILE 35 Ca 0.17 -0.40 0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1n81 h ILE 35 Cb 0.41 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1n81 h ILE 35 CO 0.01 0.13 0.14 -0.09 -0.69 0.00 0.00 178.15 177.65 1n81 h ARG 36 N 0.21 0.29 -0.07 2.37 2.43 -1.18 0.18 114.38 118.61 1n81 h ARG 36 Ca 0.07 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1n81 h ARG 36 Cb 0.12 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1n81 h ARG 36 CO -0.01 0.19 -0.19 0.87 -1.51 0.00 0.00 179.97 179.32 1n81 h LYS 37 N 0.30 0.25 -0.52 0.20 1.57 -0.94 -0.93 116.57 116.50 1n81 h LYS 37 Ca 0.15 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1n81 h LYS 37 Cb 0.10 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1n81 h LYS 37 CO -0.13 0.79 -0.02 0.28 -0.57 0.00 0.00 179.45 179.80 1n81 h VAL 38 N -0.25 1.25 0.10 0.50 2.07 -0.98 0.15 116.25 119.08 1n81 h VAL 38 Ca -0.00 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1n81 h VAL 38 Cb 0.80 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1n81 h VAL 38 CO 0.04 0.39 -0.05 1.23 0.02 0.00 0.00 177.57 179.20 1n81 h GLY 39 N 0.99 -0.14 0.75 2.17 0.00 -0.68 -0.69 103.07 105.48 1n81 h GLY 39 Ca 0.15 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.59 1n81 h GLY 39 CO 0.03 -0.05 0.53 -0.55 0.00 0.00 0.00 176.54 176.49 1n81 h ASP 40 N -0.18 0.84 0.24 0.19 3.32 -0.72 -0.73 116.42 119.39 1n81 h ASP 40 Ca -0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1n81 h ASP 40 Cb 0.14 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1n81 h ASP 40 CO 0.02 0.54 -0.13 0.40 -1.72 0.00 0.00 179.24 178.36 1n81 h ILE 41 N 0.97 0.73 -0.19 0.35 2.04 -0.40 -1.00 117.51 120.01 1n81 h ILE 41 Ca 0.36 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.21 1n81 h ILE 41 Cb 0.14 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1n81 h ILE 41 CO -0.16 0.00 0.06 -0.08 0.00 0.00 0.00 178.15 177.97 1n81 h GLU 42 N -0.35 0.30 -0.03 2.37 4.81 -0.88 -1.34 114.58 119.46 1n81 h GLU 42 Ca -0.03 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 1n81 h GLU 42 Cb 0.28 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1n81 h GLU 42 CO 0.04 0.41 -0.78 0.74 -0.73 0.00 0.00 179.01 178.69 1n81 h PHE 43 N 0.14 0.37 -0.05 0.92 -1.00 -1.16 -1.01 116.94 115.16 1n81 h PHE 43 Ca 0.06 -0.18 -0.20 0.00 2.81 0.00 0.00 57.97 60.47 1n81 h PHE 43 Cb 0.23 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.74 1n81 h PHE 43 CO 0.00 0.94 -0.81 0.45 -1.61 0.00 0.00 178.31 177.28 1n81 h HIS 44 N 0.17 0.55 -0.56 -0.55 3.86 -1.21 -0.30 115.15 117.10 1n81 h HIS 44 Ca -0.03 -0.27 -0.05 0.00 -1.16 0.00 0.00 60.37 58.86 1n81 h HIS 44 Cb 1.36 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.73 1n81 h HIS 44 CO 0.03 1.05 0.15 0.00 0.86 0.00 0.00 177.93 180.02 1n81 h ALA 45 N 0.87 1.20 -0.07 2.45 0.00 -1.17 0.18 119.26 122.73 1n81 h ALA 45 Ca -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1n81 h ALA 45 Cb 1.41 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1n81 h ALA 45 CO 0.14 0.55 -0.01 0.00 0.00 0.00 0.00 179.25 179.93 1n81 h SER 47 N -0.20 -0.15 -0.34 0.00 0.87 -0.76 -0.29 113.55 112.69 1n81 h SER 47 Ca 0.02 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1n81 h SER 47 Cb 0.39 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.39 1n81 h SER 47 CO 0.01 -0.05 -0.01 0.44 -0.53 0.00 0.00 176.83 176.68 1n81 h ASP 48 N 0.00 -0.16 -0.02 6.23 3.32 -0.57 -1.10 116.42 124.12 1n81 h ASP 48 Ca 0.08 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1n81 h ASP 48 Cb 0.12 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1n81 h ASP 48 CO -0.16 -0.05 -0.08 0.22 -1.72 0.00 0.00 179.24 177.46 1n81 h TYR 49 N 0.08 0.23 -0.05 4.55 3.20 -0.69 -0.36 116.97 123.93 1n81 h TYR 49 Ca 0.16 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 1n81 h TYR 49 Cb 0.23 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1n81 h TYR 49 CO -0.25 0.31 -0.46 0.82 -1.64 0.00 0.00 178.16 176.94 1n81 h ILE 50 N 0.22 1.33 -0.44 1.81 2.04 -0.13 -1.45 117.51 120.89 1n81 h ILE 50 Ca 0.05 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.25 1n81 h ILE 50 Cb 0.28 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1n81 h ILE 50 CO 0.01 0.47 0.08 0.22 0.00 0.00 0.00 178.15 178.93 1n81 h TYR 51 N 0.09 0.77 -0.04 1.37 3.20 0.11 -1.86 116.97 120.61 1n81 h TYR 51 Ca 0.00 -0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.80 1n81 h TYR 51 Cb 0.85 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 1n81 h TYR 51 CO 0.01 0.73 -0.14 1.25 -1.64 0.00 0.00 178.16 178.37 1n81 h LEU 52 N 0.59 -0.41 -0.78 2.82 5.85 -0.91 -1.74 115.31 120.73 1n81 h LEU 52 Ca 0.13 0.07 0.16 0.00 0.84 0.00 0.00 57.88 59.08 1n81 h LEU 52 Cb 0.37 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.48 1n81 h LEU 52 CO 0.01 -0.19 0.29 -0.07 -0.34 0.00 0.00 178.44 178.14 1n81 h LEU 53 N -0.21 0.24 -1.05 2.25 3.38 -1.02 0.18 115.31 119.08 1n81 h LEU 53 Ca 0.06 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1n81 h LEU 53 Cb 0.30 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1n81 h LEU 53 CO -0.17 0.06 0.64 -0.03 0.09 0.00 0.00 178.44 179.03 1n81 h MET 54 N 0.41 1.26 0.00 1.13 4.05 -0.51 -0.61 114.93 120.66 1n81 h MET 54 Ca 0.44 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.79 1n81 h MET 54 Cb 0.72 -0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1n81 h MET 54 CO -0.45 0.84 0.00 0.25 0.23 0.00 0.00 176.91 177.78 1n81 n THR 55 N -4.39 0.73 -0.12 -0.77 -2.24 0.55 -2.15 114.28 105.89 1n81 n THR 55 Ca 0.11 0.08 0.10 0.00 -2.27 0.00 0.00 64.05 62.07 1n81 n THR 55 Cb 0.02 -0.94 0.24 0.00 -2.10 0.00 0.00 70.33 67.55 1n81 n THR 55 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1n81 n LEU 56 N -2.11 3.49 0.28 3.22 4.77 -0.30 -4.57 117.00 121.78 1n81 n LEU 56 Ca 0.04 -1.83 0.19 0.00 -0.03 0.00 0.00 56.01 54.38 1n81 n LEU 56 Cb 0.28 -0.34 0.92 0.00 -2.33 0.00 0.00 43.42 41.95 1n81 n LEU 56 CO 0.22 0.84 1.06 0.77 -1.33 0.00 0.00 177.39 178.94 1n81 h SER 57 N 3.68 0.00 0.12 -1.43 4.64 -0.86 -0.54 113.55 119.16 1n81 h SER 57 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n81 h SER 57 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1n81 h SER 57 CO 0.00 0.00 -0.27 0.29 -0.87 0.00 0.00 176.83 175.98 1n81 n LYS 58 N -2.89 1.13 -3.93 4.77 4.76 -1.26 -4.62 118.16 116.12 1n81 n LYS 58 Ca -0.01 -0.77 -0.30 0.00 -2.87 0.00 0.00 58.31 54.36 1n81 n LYS 58 Cb 0.14 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.71 1n81 n LYS 58 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1n81 s ASP 59 N -2.40 4.26 1.28 4.39 -1.08 -0.21 -5.09 116.67 117.82 1n81 s ASP 59 Ca 0.25 -3.00 -0.20 0.00 -0.52 0.00 0.00 52.55 49.08 1n81 s ASP 59 Cb 0.19 -1.58 0.32 0.00 -1.46 0.00 0.00 42.92 40.38 1n81 s ASP 59 CO 0.50 -0.23 1.02 -2.84 0.52 0.00 0.00 175.17 174.14 1n81 s PRO 60 N -0.27 -1.86 0.00 4.34 0.02 -1.26 -1.61 135.00 134.36 1n81 s PRO 60 Ca 0.17 0.17 0.00 0.00 0.02 0.00 0.00 61.00 61.36 1n81 s PRO 60 Cb -0.25 -1.50 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1n81 s PRO 60 CO -0.00 -4.18 0.00 0.39 -0.33 0.00 0.00 177.00 172.88 1n81 n GLU 61 N -5.14 0.00 -0.03 5.54 -0.58 -1.26 -4.20 120.64 114.97 1n81 n GLU 61 Ca 0.11 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.72 1n81 n GLU 61 Cb 0.59 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 31.35 1n81 n GLU 61 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1n81 h LYS 62 N 0.00 0.03 0.01 3.49 1.57 -1.87 0.16 116.57 119.96 1n81 h LYS 62 Ca 0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1n81 h LYS 62 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1n81 h LYS 62 CO 0.00 0.67 -0.22 0.35 -0.57 0.00 0.00 179.45 179.68 1n81 h PHE 63 N -0.60 -0.59 -0.75 -1.35 3.57 -1.47 0.22 116.94 115.97 1n81 h PHE 63 Ca -0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1n81 h PHE 63 Cb 0.67 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 1n81 h PHE 63 CO 0.15 -0.31 0.44 -0.97 -2.23 0.00 0.00 178.31 175.39 1n81 h ASN 64 N -0.36 0.68 -0.57 0.41 -0.73 -1.80 -2.18 115.58 111.03 1n81 h ASN 64 Ca 0.06 0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.21 1n81 h ASN 64 Cb 0.43 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 1n81 h ASN 64 CO -0.19 0.44 0.21 0.22 -0.37 0.00 0.00 177.43 177.74 1n81 h TYR 65 N 0.81 0.87 -0.69 0.67 3.20 0.20 -3.02 116.97 119.03 1n81 h TYR 65 Ca 0.33 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1n81 h TYR 65 Cb 0.17 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 1n81 h TYR 65 CO -0.06 0.72 0.44 0.00 -1.64 0.00 0.00 178.16 177.62 1n81 h ALA 66 N 1.07 1.48 -0.95 1.82 0.00 0.02 -2.80 119.26 119.89 1n81 h ALA 66 Ca 0.19 -0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.29 1n81 h ALA 66 Cb 0.22 -0.28 -0.13 0.00 0.00 0.00 0.00 17.79 17.60 1n81 h ALA 66 CO -0.01 0.47 0.48 -0.07 0.00 0.00 0.00 179.25 180.11 1n81 h LEU 67 N 0.93 0.44 -3.16 0.00 3.38 -1.33 -0.66 115.31 114.91 1n81 h LEU 67 Ca 0.25 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1n81 h LEU 67 Cb -0.08 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1n81 h LEU 67 CO -0.05 -0.02 -0.01 0.29 0.09 0.00 0.00 178.44 178.73 1n81 n LYS 68 N -5.02 2.20 -2.39 1.13 5.02 -1.16 -4.82 118.16 113.11 1n81 n LYS 68 Ca 0.26 -2.76 -0.37 0.00 -2.02 0.00 0.00 58.31 53.41 1n81 n LYS 68 Cb 0.77 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1n81 n LYS 68 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1n81 s ASP 69 N -2.36 6.14 0.40 4.39 -1.08 -0.26 -4.80 116.67 119.09 1n81 s ASP 69 Ca 0.38 -1.84 0.07 0.00 -0.52 0.00 0.00 52.55 50.65 1n81 s ASP 69 Cb 0.32 -2.58 0.84 0.00 -1.46 0.00 0.00 42.92 40.04 1n81 s ASP 69 CO 0.06 -1.89 2.02 0.03 0.52 0.00 0.00 175.17 175.92 1n81 h ARG 70 N 9.00 0.59 0.13 4.34 3.08 -1.91 -1.67 114.38 127.94 1n81 h ARG 70 Ca 0.30 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1n81 h ARG 70 Cb 0.93 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1n81 h ARG 70 CO 1.37 0.39 -0.06 0.28 -1.07 0.00 0.00 179.97 180.88 1n81 h VAL 71 N 0.61 0.91 -0.43 2.04 2.07 -1.99 0.11 116.25 119.57 1n81 h VAL 71 Ca 0.21 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1n81 h VAL 71 Cb 0.08 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1n81 h VAL 71 CO -0.05 0.04 0.21 0.28 0.02 0.00 0.00 177.57 178.06 1n81 h SER 72 N -0.25 0.56 -0.58 0.57 0.02 -1.86 -1.70 113.55 110.31 1n81 h SER 72 Ca -0.02 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1n81 h SER 72 Cb 0.20 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1n81 h SER 72 CO 0.03 0.53 0.33 0.40 -1.14 0.00 0.00 176.83 176.98 1n81 h ILE 73 N 0.55 1.02 -0.11 3.27 2.04 -1.11 0.15 117.51 123.33 1n81 h ILE 73 Ca 0.15 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1n81 h ILE 73 Cb 0.12 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1n81 h ILE 73 CO -0.02 0.12 -0.02 -0.09 0.00 0.00 0.00 178.15 178.14 1n81 h ARG 74 N 0.65 0.15 -0.49 2.37 2.43 -0.49 0.19 114.38 119.19 1n81 h ARG 74 Ca 0.24 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1n81 h ARG 74 Cb 0.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1n81 h ARG 74 CO -0.13 0.19 -0.05 -0.09 -1.51 0.00 0.00 179.97 178.38 1n81 h ARG 75 N 0.15 0.86 -0.42 0.20 2.43 0.18 -1.34 114.38 116.44 1n81 h ARG 75 Ca 0.04 -0.26 -0.10 0.00 -0.81 0.00 0.00 59.98 58.85 1n81 h ARG 75 Cb 0.14 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1n81 h ARG 75 CO 0.00 0.89 -0.13 1.88 -1.51 0.00 0.00 179.97 181.10 1n81 h TYR 76 N 0.79 0.83 -0.04 2.20 -1.99 0.44 -1.80 116.97 117.40 1n81 h TYR 76 Ca 0.14 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1n81 h TYR 76 Cb 0.54 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 39.05 1n81 h TYR 76 CO 0.03 0.84 0.03 0.28 -0.00 0.00 0.00 178.16 179.34 1n81 h VAL 77 N 0.68 1.02 -0.31 -2.88 2.07 -0.59 -2.25 116.25 114.00 1n81 h VAL 77 Ca 0.11 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1n81 h VAL 77 Cb 0.61 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1n81 h VAL 77 CO 0.04 0.02 -0.05 0.03 0.02 0.00 0.00 177.57 177.63 1n81 h ARG 78 N 0.05 0.03 -1.00 1.57 3.08 -1.04 0.27 114.38 117.33 1n81 h ARG 78 Ca 0.02 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.19 1n81 h ARG 78 Cb 0.01 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.96 1n81 h ARG 78 CO -0.00 0.02 0.62 -0.22 -1.07 0.00 0.00 179.97 179.32 1n81 h LYS 79 N 0.03 0.92 -0.02 0.04 3.64 -1.20 -0.91 116.57 119.07 1n81 h LYS 79 Ca 0.15 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.30 1n81 h LYS 79 Cb 0.22 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1n81 h LYS 79 CO -0.30 0.61 -0.78 -0.91 -2.27 0.00 0.00 179.45 175.80 1n81 h ASN 80 N 0.95 0.21 -0.60 4.20 2.35 -0.62 0.12 115.58 122.20 1n81 h ASN 80 Ca 0.51 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 1n81 h ASN 80 Cb 0.55 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1n81 h ASN 80 CO -0.28 0.91 0.33 1.56 -1.65 0.00 0.00 177.43 178.29 1n81 h GLN 81 N 0.11 0.87 -0.09 0.81 4.20 0.02 0.57 115.11 121.60 1n81 h GLN 81 Ca -0.03 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1n81 h GLN 81 Cb 1.36 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 1n81 h GLN 81 CO 0.12 0.65 -0.10 -0.97 -0.67 0.00 0.00 178.83 177.86 1n81 h ASN 82 N 0.87 0.23 -0.87 1.46 -0.00 -0.85 0.11 115.58 116.54 1n81 h ASN 82 Ca 0.22 -0.50 0.06 0.00 -0.00 0.00 0.00 56.30 56.08 1n81 h ASN 82 Cb 0.05 -0.07 -0.05 0.00 -0.00 0.00 0.00 38.32 38.25 1n81 h ASN 82 CO -0.03 0.68 0.57 -0.09 -0.00 0.00 0.00 177.43 178.56 1n81 h ARG 83 N -0.21 0.97 -0.65 6.67 2.43 -0.41 -0.91 114.38 122.27 1n81 h ARG 83 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1n81 h ARG 83 Cb 0.62 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1n81 h ARG 83 CO 0.02 0.64 0.00 0.66 -1.51 0.00 0.00 179.97 179.79 1n81 n TYR 84 N -4.48 1.31 -4.10 2.20 4.02 0.14 -4.95 117.16 111.31 1n81 n TYR 84 Ca 0.13 -0.53 -0.30 0.00 -0.01 0.00 0.00 57.90 57.19 1n81 n TYR 84 Cb 0.18 -0.20 -0.05 0.00 -0.02 0.00 0.00 39.34 39.25 1n81 n TYR 84 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1n81 n ASN 85 N 1.06 -0.41 -3.64 7.72 3.02 -0.35 -4.94 115.26 117.74 1n81 n ASN 85 Ca 0.23 -1.14 -0.28 0.00 -0.03 0.00 0.00 54.58 53.36 1n81 n ASN 85 Cb 0.79 -2.36 -0.16 0.00 -0.61 0.00 0.00 39.78 37.44 1n81 n ASN 85 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1n81 s TYR 86 N -4.07 0.70 -0.57 3.10 5.04 0.25 -4.98 117.35 116.82 1n81 s TYR 86 Ca 0.07 -0.88 0.14 0.00 -2.44 0.00 0.00 57.07 53.96 1n81 s TYR 86 Cb -0.03 -1.02 0.45 0.00 0.35 0.00 0.00 41.96 41.71 1n81 s TYR 86 CO 0.94 -0.71 1.37 1.19 -1.34 0.00 0.00 175.55 177.00 1n81 n PHE 87 N 5.14 0.79 -1.30 4.97 3.01 -1.26 -4.67 117.46 124.14 1n81 n PHE 87 Ca -0.06 -0.69 -0.22 0.00 1.01 0.00 0.00 57.45 57.48 1n81 n PHE 87 Cb 0.45 -0.19 -0.06 0.00 -0.01 0.00 0.00 39.48 39.67 1n81 n PHE 87 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1n81 n LEU 88 N 0.07 6.23 -4.17 4.37 4.32 -1.26 -4.88 117.00 121.68 1n81 n LEU 88 Ca 0.18 -3.77 -0.34 0.00 -0.02 0.00 0.00 56.01 52.05 1n81 n LEU 88 Cb 0.70 -1.24 -0.14 0.00 -1.62 0.00 0.00 43.42 41.11 1n81 n LEU 88 CO 0.13 1.64 -0.39 -0.63 -1.22 0.00 0.00 177.39 176.93 1n81 s ILE 89 N -1.63 2.85 0.71 -0.08 1.01 -1.26 -5.10 121.20 117.70 1n81 s ILE 89 Ca 0.55 -1.28 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 1n81 s ILE 89 Cb 0.35 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1n81 s ILE 89 CO -0.15 0.02 1.12 -0.62 0.00 0.00 0.00 174.94 175.31 1n81 n GLU 90 N 4.62 0.66 -0.19 2.79 4.71 -1.26 -4.68 120.64 127.29 1n81 n GLU 90 Ca -0.15 0.29 -0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1n81 n GLU 90 Cb 0.45 -2.36 0.10 0.00 -1.01 0.00 0.00 31.44 28.61 1n81 n GLU 90 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1n81 h GLU 91 N -0.09 0.31 -0.71 3.49 4.81 -1.98 0.12 114.58 120.53 1n81 h GLU 91 Ca -0.48 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1n81 h GLU 91 Cb 1.33 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1n81 h GLU 91 CO 0.49 0.20 0.46 -0.09 -0.73 0.00 0.00 179.01 179.34 1n81 h ARG 92 N 0.32 0.89 -0.25 1.92 2.43 -1.99 0.13 114.38 117.82 1n81 h ARG 92 Ca 0.29 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1n81 h ARG 92 Cb 0.40 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1n81 h ARG 92 CO -0.34 0.59 0.15 0.28 -1.51 0.00 0.00 179.97 179.13 1n81 h VAL 93 N 0.92 1.11 -1.01 0.20 2.07 -1.69 -2.15 116.25 115.69 1n81 h VAL 93 Ca 0.27 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1n81 h VAL 93 Cb -0.04 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1n81 h VAL 93 CO -0.08 0.10 0.67 -0.61 0.02 0.00 0.00 177.57 177.67 1n81 h GLN 94 N 0.31 1.32 -0.67 1.57 4.15 -0.34 -1.26 115.11 120.19 1n81 h GLN 94 Ca 0.09 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.46 1n81 h GLN 94 Cb 0.04 -0.30 -0.04 0.00 0.21 0.00 0.00 27.48 27.39 1n81 h GLN 94 CO -0.02 0.88 0.42 -0.44 -1.93 0.00 0.00 178.83 177.74 1n81 h ASP 95 N 1.36 0.68 0.67 -0.69 3.32 -0.21 -1.65 116.42 119.91 1n81 h ASP 95 Ca 0.37 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 1n81 h ASP 95 Cb -0.16 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1n81 h ASP 95 CO -0.08 0.47 -0.47 0.78 -1.72 0.00 0.00 179.24 178.22 1n81 h ASN 96 N 0.81 0.00 -0.15 6.45 2.35 -0.93 -1.07 115.58 123.04 1n81 h ASN 96 Ca 0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1n81 h ASN 96 Cb 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1n81 h ASN 96 CO -0.11 0.47 0.06 0.40 -1.65 0.00 0.00 177.43 176.61 1n81 h ILE 97 N 0.00 1.16 -0.48 2.81 2.04 -0.42 0.87 117.51 123.48 1n81 h ILE 97 Ca -0.00 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.41 1n81 h ILE 97 Cb 0.93 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1n81 h ILE 97 CO 0.06 0.15 0.29 0.58 0.00 0.00 0.00 178.15 179.22 1n81 h VAL 98 N 0.09 1.05 0.03 1.67 2.07 -1.17 -0.51 116.25 119.49 1n81 h VAL 98 Ca 0.05 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1n81 h VAL 98 Cb 0.17 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1n81 h VAL 98 CO -0.00 0.10 -0.08 0.78 0.02 0.00 0.00 177.57 178.39 1n81 h ASN 99 N 0.57 -0.23 -0.99 0.57 2.35 -0.91 -0.72 115.58 116.22 1n81 h ASN 99 Ca 0.19 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1n81 h ASN 99 Cb 0.02 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.42 1n81 h ASN 99 CO -0.09 -0.12 0.65 0.03 -1.65 0.00 0.00 177.43 176.25 1n81 h ARG 100 N -0.16 1.23 0.00 0.81 3.08 -0.48 0.08 114.38 118.94 1n81 h ARG 100 Ca 0.02 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1n81 h ARG 100 Cb 0.18 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1n81 h ARG 100 CO -0.07 0.81 -0.00 0.82 -1.07 0.00 0.00 179.97 180.47 1n81 h ILE 101 N 1.26 1.16 -0.88 2.04 2.04 -0.72 -1.25 117.51 121.17 1n81 h ILE 101 Ca 0.39 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1n81 h ILE 101 Cb -0.02 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1n81 h ILE 101 CO -0.12 0.13 0.56 -1.28 0.00 0.00 0.00 178.15 177.44 1n81 h SER 102 N -0.21 0.90 -0.36 1.72 0.87 -0.67 -0.66 113.55 115.15 1n81 h SER 102 Ca -0.00 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 1n81 h SER 102 Cb 0.21 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1n81 h SER 102 CO 0.00 0.60 0.15 0.44 -0.53 0.00 0.00 176.83 177.49 1n81 h ASP 103 N 1.05 0.54 -0.13 6.23 3.32 -0.66 -1.67 116.42 125.10 1n81 h ASP 103 Ca 0.37 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 1n81 h ASP 103 Cb 0.09 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1n81 h ASP 103 CO -0.15 0.51 -0.29 0.03 -1.72 0.00 0.00 179.24 177.62 1n81 h ARG 104 N 0.59 0.60 -0.16 3.56 3.08 0.04 -0.14 114.38 121.96 1n81 h ARG 104 Ca 0.14 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.95 1n81 h ARG 104 Cb 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1n81 h ARG 104 CO -0.01 0.82 0.08 -0.07 -1.07 0.00 0.00 179.97 179.72 1n81 h LEU 105 N 0.52 0.12 -0.91 3.04 3.38 -0.32 0.46 115.31 121.60 1n81 h LEU 105 Ca 0.07 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1n81 h LEU 105 Cb 0.76 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1n81 h LEU 105 CO 0.06 0.10 -0.30 0.40 0.09 0.00 0.00 178.44 178.79 1n81 h ILE 106 N 0.17 1.28 -0.10 1.22 2.04 -1.23 0.34 117.51 121.22 1n81 h ILE 106 Ca 0.06 -1.34 -0.19 0.00 1.00 0.00 0.00 64.86 64.39 1n81 h ILE 106 Cb 0.01 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1n81 h ILE 106 CO -0.04 0.42 -0.72 -1.28 0.00 0.00 0.00 178.15 176.53 1n81 h SER 107 N 0.39 0.58 0.00 1.72 0.87 -0.64 -3.29 113.55 113.18 1n81 h SER 107 Ca 0.05 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1n81 h SER 107 Cb 0.72 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1n81 h SER 107 CO 0.05 1.12 -1.62 -1.22 -0.53 0.00 0.00 176.83 174.63 1n81 n TYR 108 N -3.87 0.00 -0.03 2.24 0.53 0.12 -4.71 117.16 111.44 1n81 n TYR 108 Ca -0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.83 1n81 n TYR 108 Cb 0.70 -0.32 0.00 0.00 -1.03 0.00 0.00 39.34 38.69 1n81 n TYR 108 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1n81 n THR 110 N -0.40 1.89 0.00 0.00 5.66 -1.23 -4.76 114.28 115.43 1n81 n THR 110 Ca 0.00 -0.97 0.00 0.00 -3.05 0.00 0.00 64.05 60.03 1n81 n THR 110 Cb 0.21 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 1n81 n THR 110 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1n81 n ASP 111 N 0.48 0.00 -3.64 1.09 8.00 -1.26 -5.11 116.55 116.11 1n81 n ASP 111 Ca 0.20 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.37 1n81 n ASP 111 Cb 0.90 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 42.03 1n81 n ASP 111 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1n81 n LYS 112 N 0.00 0.00 -2.29 -1.24 5.02 -1.26 -4.78 118.16 113.61 1n81 n LYS 112 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1n81 n LYS 112 Cb 0.00 -0.91 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 1n81 n LYS 112 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1n81 s GLU 113 N -1.77 4.05 -1.17 1.97 2.12 -1.26 -4.88 118.70 117.76 1n81 s GLU 113 Ca 0.37 1.64 -0.23 0.00 0.36 0.00 0.00 54.97 57.11 1n81 s GLU 113 Cb -0.18 -3.89 -0.11 0.00 0.26 0.00 0.00 34.13 30.21 1n81 s GLU 113 CO 0.74 -0.97 1.95 0.28 -0.54 0.00 0.00 175.26 176.73 1n81 n VAL 114 N 5.83 1.70 -2.68 3.70 0.31 -1.26 -4.82 118.33 121.12 1n81 n VAL 114 Ca 0.16 -1.77 -0.22 0.00 -0.01 0.00 0.00 64.34 62.50 1n81 n VAL 114 Cb 0.45 -2.15 0.09 0.00 -0.91 0.00 0.00 33.84 31.31 1n81 n VAL 114 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1n81 s THR 115 N 11.71 2.24 0.16 2.52 -4.23 -1.26 -4.58 115.64 122.19 1n81 s THR 115 Ca 0.70 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 1n81 s THR 115 Cb -0.01 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.31 1n81 s THR 115 CO 0.14 0.00 1.64 -0.08 -0.54 0.00 0.00 174.62 175.79 1n81 h GLU 116 N -0.30 0.87 0.00 3.99 4.81 -1.95 -1.76 114.58 120.24 1n81 h GLU 116 Ca -0.36 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.52 1n81 h GLU 116 Cb 1.28 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1n81 h GLU 116 CO 0.42 0.85 -0.54 -0.44 -0.73 0.00 0.00 179.01 178.57 1n81 h ASP 117 N 0.75 0.00 -0.02 1.04 3.32 -1.96 -2.92 116.42 116.63 1n81 h ASP 117 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1n81 h ASP 117 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1n81 h ASP 117 CO 0.01 0.54 -0.01 0.22 -1.72 0.00 0.00 179.24 178.28 1n81 h TYR 118 N 0.00 0.04 0.00 4.55 3.20 -1.79 -2.60 116.97 120.37 1n81 h TYR 118 Ca -0.01 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1n81 h TYR 118 Cb 0.98 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 1n81 h TYR 118 CO 0.00 0.45 -0.17 -0.84 -1.64 0.00 0.00 178.16 175.96 1n81 h ILE 119 N -0.38 0.91 -0.58 1.81 3.07 -1.36 0.10 117.51 121.09 1n81 h ILE 119 Ca 0.00 -0.61 -0.07 0.00 1.55 0.00 0.00 64.86 65.73 1n81 h ILE 119 Cb 0.44 1.35 -0.02 0.00 -0.27 0.00 0.00 36.82 38.31 1n81 h ILE 119 CO 0.00 0.16 0.08 0.11 -1.05 0.00 0.00 178.15 177.46 1n81 h LYS 120 N 0.00 0.94 -0.06 0.16 1.79 -1.42 -1.00 116.57 116.98 1n81 h LYS 120 Ca -0.00 -0.24 -0.15 0.00 -2.18 0.00 0.00 60.65 58.08 1n81 h LYS 120 Cb 0.34 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1n81 h LYS 120 CO 0.02 0.88 -0.65 -0.22 -1.08 0.00 0.00 179.45 178.41 1n81 h LYS 121 N 0.89 0.24 0.00 3.15 3.64 -0.55 -2.99 116.57 120.95 1n81 h LYS 121 Ca 0.18 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1n81 h LYS 121 Cb 0.40 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1n81 h LYS 121 CO 0.01 0.80 -0.34 0.82 -2.27 0.00 0.00 179.45 178.47 1n81 h ILE 122 N 0.17 0.92 0.00 2.00 1.08 -0.32 -1.72 117.51 119.64 1n81 h ILE 122 Ca -0.01 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 1n81 h ILE 122 Cb 1.17 1.79 -0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1n81 h ILE 122 CO 0.10 0.33 -0.03 0.44 -0.69 0.00 0.00 178.15 178.31 1n81 h ASP 123 N 0.00 0.00 0.34 1.72 3.32 -1.04 -1.24 116.42 119.52 1n81 h ASP 123 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1n81 h ASP 123 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1n81 h ASP 123 CO 0.04 0.03 -0.73 0.44 -1.72 0.00 0.00 179.24 177.30 1n81 h ASP 124 N 0.00 0.39 -0.52 6.45 3.32 -1.40 -1.33 116.42 123.33 1n81 h ASP 124 Ca -0.00 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.70 1n81 h ASP 124 Cb 0.05 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1n81 h ASP 124 CO 0.00 0.99 0.00 1.88 -1.72 0.00 0.00 179.24 180.40 1n81 h TYR 125 N 0.22 1.03 -0.52 4.55 -1.99 -1.28 -0.98 116.97 118.01 1n81 h TYR 125 Ca -0.03 -0.16 -0.06 0.00 2.00 0.00 0.00 58.73 60.48 1n81 h TYR 125 Cb 1.30 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 1n81 h TYR 125 CO 0.04 0.92 0.10 -0.07 -0.00 0.00 0.00 178.16 179.15 1n81 h LEU 126 N 0.88 0.81 -0.35 3.88 3.38 -1.05 -2.18 115.31 120.68 1n81 h LEU 126 Ca 0.16 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1n81 h LEU 126 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1n81 h LEU 126 CO 0.03 0.85 0.19 -0.25 0.09 0.00 0.00 178.44 179.34 1n81 h TRP 127 N 0.73 0.35 -0.18 1.13 7.01 -0.92 -0.02 115.95 124.05 1n81 h TRP 127 Ca 0.16 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.19 1n81 h TRP 127 Cb 0.38 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1n81 h TRP 127 CO 0.03 0.19 0.05 0.28 -2.79 0.00 0.00 178.44 176.20 1n81 h VAL 128 N 0.38 0.95 -0.42 2.65 2.07 -0.94 0.10 116.25 121.05 1n81 h VAL 128 Ca 0.14 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1n81 h VAL 128 Cb 0.03 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1n81 h VAL 128 CO -0.09 0.02 0.18 -0.08 0.02 0.00 0.00 177.57 177.63 1n81 h GLU 129 N 0.13 0.62 -0.65 1.57 4.81 -1.12 -1.03 114.58 118.90 1n81 h GLU 129 Ca 0.08 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1n81 h GLU 129 Cb 0.05 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1n81 h GLU 129 CO -0.09 0.55 0.25 0.37 -0.73 0.00 0.00 179.01 179.36 1n81 h GLN 130 N 0.54 0.99 -0.80 1.92 4.15 -0.67 -1.44 115.11 119.79 1n81 h GLN 130 Ca 0.14 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1n81 h GLN 130 Cb 0.15 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 1n81 h GLN 130 CO -0.01 0.84 0.36 -0.09 -1.93 0.00 0.00 178.83 177.99 1n81 h ARG 131 N 0.93 1.18 -0.51 1.69 9.65 -0.55 -1.56 114.38 125.21 1n81 h ARG 131 Ca 0.22 -0.19 -0.08 0.00 -1.10 0.00 0.00 59.98 58.82 1n81 h ARG 131 Cb 0.23 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1n81 h ARG 131 CO -0.02 0.93 -0.01 0.28 2.80 0.00 0.00 179.97 183.96 1n81 h VAL 132 N 1.15 1.26 -0.32 0.20 2.07 -0.83 -1.68 116.25 118.10 1n81 h VAL 132 Ca 0.27 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 66.76 1n81 h VAL 132 Cb 0.16 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1n81 h VAL 132 CO -0.03 0.39 -0.11 0.40 0.02 0.00 0.00 177.57 178.24 1n81 h ILE 133 N 0.77 0.62 -0.27 4.57 2.04 -1.01 0.05 117.51 124.29 1n81 h ILE 133 Ca 0.14 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 1n81 h ILE 133 Cb 0.53 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1n81 h ILE 133 CO 0.03 0.00 0.16 -0.33 0.00 0.00 0.00 178.15 178.01 1n81 h GLU 134 N -0.04 0.36 -0.28 2.37 5.08 -1.05 -0.61 114.58 120.41 1n81 h GLU 134 Ca 0.16 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1n81 h GLU 134 Cb 0.28 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1n81 h GLU 134 CO -0.35 0.29 0.17 1.49 -1.00 0.00 0.00 179.01 179.61 1n81 h GLU 135 N 0.33 0.34 -0.44 2.33 4.57 -0.92 -1.54 114.58 119.26 1n81 h GLU 135 Ca 0.10 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1n81 h GLU 135 Cb 0.02 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1n81 h GLU 135 CO -0.02 0.23 0.08 0.28 -1.18 0.00 0.00 179.01 178.40 1n81 h VAL 136 N 0.35 1.20 0.00 0.32 2.07 -0.81 -2.08 116.25 117.30 1n81 h VAL 136 Ca 0.11 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1n81 h VAL 136 Cb -0.02 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1n81 h VAL 136 CO -0.04 0.27 -0.22 0.77 0.02 0.00 0.00 177.57 178.38 1n81 h SER 137 N 0.64 0.00 -0.34 0.57 4.64 -0.16 -1.29 113.55 117.62 1n81 h SER 137 Ca 0.14 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 1n81 h SER 137 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1n81 h SER 137 CO 0.00 0.22 -0.14 0.40 -0.87 0.00 0.00 176.83 176.44 1n81 h ILE 138 N 0.00 1.29 -0.62 0.95 1.08 -0.64 -1.57 117.51 117.99 1n81 h ILE 138 Ca -0.00 -1.24 -0.06 0.00 -0.39 0.00 0.00 64.86 63.17 1n81 h ILE 138 Cb 0.40 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 1n81 h ILE 138 CO 0.03 0.40 0.13 0.78 -0.69 0.00 0.00 178.15 178.80 1n81 h ASN 139 N 0.47 0.92 0.23 1.72 2.35 -1.19 -2.72 115.58 117.37 1n81 h ASN 139 Ca 0.08 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1n81 h ASN 139 Cb 0.66 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1n81 h ASN 139 CO 0.04 0.91 -0.11 0.58 -1.65 0.00 0.00 177.43 177.20 1n81 h VAL 140 N 0.93 0.79 -0.81 2.81 2.07 -1.07 -2.77 116.25 118.20 1n81 h VAL 140 Ca 0.20 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.78 1n81 h VAL 140 Cb 0.36 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1n81 h VAL 140 CO 0.00 0.02 0.53 0.44 0.02 0.00 0.00 177.57 178.58 1n81 h ASP 141 N -0.34 0.54 1.23 0.57 3.32 -1.17 -1.72 116.42 118.85 1n81 h ASP 141 Ca -0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n81 h ASP 141 Cb 0.26 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1n81 h ASP 141 CO 0.05 0.29 -0.06 1.41 -1.72 0.00 0.00 179.24 179.21 1n81 n HIS 142 N -4.52 0.55 -2.67 4.55 8.25 -1.04 -4.83 115.22 115.52 1n81 n HIS 142 Ca 0.15 0.16 -0.37 0.00 -0.26 0.00 0.00 57.72 57.40 1n81 n HIS 142 Cb 0.47 -0.74 -0.05 0.00 1.12 0.00 0.00 29.99 30.78 1n81 n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n81 s ALA 143 N -3.07 3.18 -0.07 -1.41 0.00 -0.65 -5.01 121.76 114.74 1n81 s ALA 143 Ca 0.12 0.62 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 1n81 s ALA 143 Cb 0.15 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 1n81 s ALA 143 CO 0.59 0.00 0.38 -0.09 0.00 0.00 0.00 175.76 176.64 1n81 h ARG 144 N 2.98 -0.25 -6.89 0.00 2.43 -1.88 -3.46 114.38 107.31 1n81 h ARG 144 Ca -0.47 0.02 -0.47 0.00 -0.81 0.00 0.00 59.98 58.25 1n81 h ARG 144 Cb 1.20 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1n81 h ARG 144 CO 0.64 -0.09 0.34 -1.21 -1.51 0.00 0.00 179.97 178.14 1n81 s GLU 145 N -2.52 4.57 0.47 0.20 0.41 -1.26 -4.95 118.70 115.63 1n81 s GLU 145 Ca -0.05 1.32 0.20 0.00 -0.41 0.00 0.00 54.97 56.02 1n81 s GLU 145 Cb 0.00 -2.77 1.18 0.00 -1.78 0.00 0.00 34.13 30.76 1n81 s GLU 145 CO 0.17 0.27 2.02 0.28 -0.49 0.00 0.00 175.26 177.51 1n81 h VAL 146 N 2.58 0.91 -0.53 2.63 2.07 -1.99 -1.54 116.25 120.39 1n81 h VAL 146 Ca -0.47 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 66.32 1n81 h VAL 146 Cb 1.19 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1n81 h VAL 146 CO 0.65 0.16 -0.13 0.50 0.02 0.00 0.00 177.57 178.77 1n81 h LYS 147 N 0.00 1.02 -0.20 1.57 3.64 -1.99 -1.41 116.57 119.20 1n81 h LYS 147 Ca -0.00 -0.39 -0.18 0.00 -1.27 0.00 0.00 60.65 58.81 1n81 h LYS 147 Cb 0.34 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1n81 h LYS 147 CO 0.02 1.08 -0.60 1.49 -2.27 0.00 0.00 179.45 179.17 1n81 h GLU 148 N 0.89 0.66 -0.77 1.90 4.57 -1.80 -1.57 114.58 118.46 1n81 h GLU 148 Ca 0.13 -0.44 0.03 0.00 -1.18 0.00 0.00 59.36 57.90 1n81 h GLU 148 Cb 0.70 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.31 1n81 h GLU 148 CO 0.05 1.06 0.49 0.87 -1.18 0.00 0.00 179.01 180.31 1n81 h LYS 149 N 0.49 0.93 -0.30 1.92 1.57 -1.06 0.25 116.57 120.37 1n81 h LYS 149 Ca -0.00 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1n81 h LYS 149 Cb 1.17 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1n81 h LYS 149 CO 0.12 0.62 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.30 1n81 h LYS 150 N 0.96 0.60 -0.60 3.15 3.64 -1.10 -1.73 116.57 121.48 1n81 h LYS 150 Ca 0.31 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1n81 h LYS 150 Cb 0.01 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1n81 h LYS 150 CO -0.11 0.80 0.30 -0.09 -2.27 0.00 0.00 179.45 178.08 1n81 h ARG 151 N 0.36 0.55 -0.47 1.90 2.43 -0.71 -2.24 114.38 116.21 1n81 h ARG 151 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1n81 h ARG 151 Cb 0.59 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1n81 h ARG 151 CO 0.03 0.36 0.30 0.82 -1.51 0.00 0.00 179.97 179.97 1n81 h ILE 152 N 0.56 1.13 -0.55 1.20 2.04 -0.74 0.32 117.51 121.48 1n81 h ILE 152 Ca 0.28 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 66.00 1n81 h ILE 152 Cb 0.22 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1n81 h ILE 152 CO -0.20 0.13 0.38 0.24 0.00 0.00 0.00 178.15 178.70 1n81 h MET 153 N 0.63 0.14 -0.20 2.37 2.86 -0.75 -0.16 114.93 119.83 1n81 h MET 153 Ca 0.17 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1n81 h MET 153 Cb -0.04 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1n81 h MET 153 CO -0.03 0.09 0.00 0.09 1.06 0.00 0.00 176.91 178.12 1n81 n ASN 154 N -4.42 3.18 -4.56 1.22 3.02 -0.70 -4.26 115.26 108.74 1n81 n ASN 154 Ca 0.10 -1.98 -0.27 0.00 -0.03 0.00 0.00 54.58 52.40 1n81 n ASN 154 Cb 0.52 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.53 1n81 n ASN 154 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1n81 s ASP 155 N -1.72 5.09 0.54 6.41 -1.08 0.02 -4.78 116.67 121.14 1n81 s ASP 155 Ca 0.32 -0.53 0.23 0.00 -0.52 0.00 0.00 52.55 52.05 1n81 s ASP 155 Cb 0.21 -2.56 1.47 0.00 -1.46 0.00 0.00 42.92 40.58 1n81 s ASP 155 CO 0.30 -2.76 2.16 0.11 0.52 0.00 0.00 175.17 175.49 1n81 h LYS 156 N 11.75 0.00 -0.14 4.34 1.57 -1.89 -1.15 116.57 131.06 1n81 h LYS 156 Ca 0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1n81 h LYS 156 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1n81 h LYS 156 CO 1.20 0.05 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.83 1n81 h LYS 157 N 0.00 0.29 -0.56 3.15 3.64 -1.98 -0.22 116.57 120.89 1n81 h LYS 157 Ca -0.00 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1n81 h LYS 157 Cb 0.10 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1n81 h LYS 157 CO 0.01 0.63 0.22 1.25 -2.27 0.00 0.00 179.45 179.28 1n81 h LEU 158 N -0.05 0.78 -0.60 5.20 5.85 -1.80 -2.03 115.31 122.66 1n81 h LEU 158 Ca 0.03 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1n81 h LEU 158 Cb 0.55 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1n81 h LEU 158 CO 0.02 0.75 0.36 0.40 -0.34 0.00 0.00 178.44 179.63 1n81 h ILE 159 N 0.77 1.18 -0.67 4.05 2.04 -1.13 -0.37 117.51 123.38 1n81 h ILE 159 Ca 0.19 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1n81 h ILE 159 Cb 0.21 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1n81 h ILE 159 CO -0.01 0.19 0.41 -0.09 0.00 0.00 0.00 178.15 178.65 1n81 h ARG 160 N 0.82 0.90 -0.26 2.37 9.65 -0.77 0.95 114.38 128.03 1n81 h ARG 160 Ca 0.22 -0.08 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1n81 h ARG 160 Cb -0.01 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 1n81 h ARG 160 CO -0.04 0.63 -0.07 0.52 2.80 0.00 0.00 179.97 183.82 1n81 h MET 161 N 0.91 0.51 -0.62 0.20 2.86 -1.00 -1.09 114.93 116.69 1n81 h MET 161 Ca 0.24 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1n81 h MET 161 Cb -0.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1n81 h MET 161 CO -0.05 0.73 0.38 -0.07 1.06 0.00 0.00 176.91 178.96 1n81 h LEU 162 N 0.26 0.73 -0.50 1.22 3.38 -0.78 -2.55 115.31 117.07 1n81 h LEU 162 Ca 0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1n81 h LEU 162 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1n81 h LEU 162 CO 0.03 0.55 0.17 -0.26 0.09 0.00 0.00 178.44 179.02 1n81 h PHE 163 N 0.85 0.80 -0.80 1.13 -1.00 -0.51 -2.01 116.94 115.40 1n81 h PHE 163 Ca 0.23 -0.07 0.06 0.00 2.81 0.00 0.00 57.97 60.99 1n81 h PHE 163 Cb -0.05 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 39.22 1n81 h PHE 163 CO 0.00 0.68 0.48 -0.44 -1.61 0.00 0.00 178.31 177.43 1n81 h ASP 164 N 0.68 0.74 -0.21 2.17 3.32 -0.81 -0.78 116.42 121.53 1n81 h ASP 164 Ca 0.16 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1n81 h ASP 164 Cb 0.25 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1n81 h ASP 164 CO -0.01 0.47 0.00 0.74 -1.72 0.00 0.00 179.24 178.73 1n81 h THR 165 N 0.87 1.25 0.00 0.35 2.02 -1.19 -2.71 112.91 113.51 1n81 h THR 165 Ca 0.35 -0.86 -0.15 0.00 0.77 0.00 0.00 66.41 66.52 1n81 h THR 165 Cb 0.18 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1n81 h THR 165 CO -0.18 0.27 -0.71 1.88 0.37 0.00 0.00 175.52 177.15 1n81 h TYR 166 N 0.14 0.00 -0.08 3.16 -1.99 -1.21 -1.23 116.97 115.77 1n81 h TYR 166 Ca 0.06 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 1n81 h TYR 166 Cb 0.39 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.12 1n81 h TYR 166 CO 0.03 0.71 0.04 0.93 -0.00 0.00 0.00 178.16 179.87 1n81 h GLU 167 N 0.00 0.11 0.02 4.88 5.08 -1.20 -1.01 114.58 122.46 1n81 h GLU 167 Ca -0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1n81 h GLU 167 Cb 1.43 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1n81 h GLU 167 CO 0.09 0.19 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.27 1n81 h TYR 168 N 0.00 -0.26 -0.73 4.33 3.20 -1.41 0.87 116.97 122.98 1n81 h TYR 168 Ca 0.03 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1n81 h TYR 168 Cb 0.12 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1n81 h TYR 168 CO -0.03 -0.16 0.48 0.28 -1.64 0.00 0.00 178.16 177.09 1n81 h VAL 169 N -0.19 1.19 -0.18 1.81 2.07 -1.13 -2.36 116.25 117.47 1n81 h VAL 169 Ca 0.03 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1n81 h VAL 169 Cb 0.22 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1n81 h VAL 169 CO -0.09 0.18 0.00 1.17 0.02 0.00 0.00 177.57 178.85 1n81 n LYS 170 N -4.42 2.19 -3.50 1.57 3.00 -0.39 -4.98 118.16 111.63 1n81 n LYS 170 Ca 0.08 -1.77 -0.24 0.00 -0.00 0.00 0.00 58.31 56.37 1n81 n LYS 170 Cb 0.03 -1.47 0.06 0.00 0.00 0.00 0.00 35.03 33.65 1n81 n LYS 170 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1n81 n ASP 171 N 1.05 -5.85 -4.10 3.14 2.03 0.15 -5.03 116.55 107.94 1n81 n ASP 171 Ca 0.17 -0.88 -0.08 0.00 0.52 0.00 0.00 54.79 54.52 1n81 n ASP 171 Cb 0.52 -4.17 -0.10 0.00 -0.72 0.00 0.00 41.12 36.65 1n81 n ASP 171 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1n81 s VAL 172 N -3.43 0.20 -0.11 5.18 -7.23 -0.32 -5.03 120.40 109.65 1n81 s VAL 172 Ca 0.46 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.77 1n81 s VAL 172 Cb -0.12 -1.64 0.05 0.00 0.56 0.00 0.00 36.38 35.22 1n81 s VAL 172 CO 0.81 -0.88 0.08 -0.75 -0.31 0.00 0.00 175.10 174.05 1n81 s LYS 173 N -3.95 -0.01 0.42 4.82 2.36 -1.26 -4.42 119.74 117.70 1n81 s LYS 173 Ca 0.11 0.15 -0.22 0.00 -2.55 0.00 0.00 55.97 53.46 1n81 s LYS 173 Cb 0.08 -1.18 -0.10 0.00 -1.05 0.00 0.00 37.83 35.58 1n81 s LYS 173 CO -0.07 -0.50 0.98 -0.06 1.55 0.00 0.00 175.35 177.25 1n81 s PHE 174 N 2.16 3.31 0.77 4.03 0.40 -1.26 -5.04 117.98 122.34 1n81 s PHE 174 Ca 0.03 1.64 -0.12 0.00 -0.60 0.00 0.00 56.93 57.89 1n81 s PHE 174 Cb -0.14 -2.95 0.05 0.00 0.51 0.00 0.00 43.02 40.49 1n81 s PHE 174 CO -0.06 -0.28 1.11 0.95 0.70 0.00 0.00 175.22 177.64 1n81 s THR 175 N -1.96 3.03 0.43 0.64 -4.23 -1.26 -4.77 115.64 107.52 1n81 s THR 175 Ca 0.60 0.33 0.11 0.00 -1.18 0.00 0.00 61.69 61.56 1n81 s THR 175 Cb -0.14 -3.23 0.30 0.00 1.34 0.00 0.00 72.50 70.77 1n81 s THR 175 CO 0.19 -0.44 2.03 0.44 -0.54 0.00 0.00 174.62 176.29 1n81 h ASP 176 N -0.92 0.38 -0.07 3.99 3.32 -1.99 0.37 116.42 121.51 1n81 h ASP 176 Ca -0.46 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 1n81 h ASP 176 Cb 1.27 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1n81 h ASP 176 CO 0.62 0.26 -0.18 0.44 -1.72 0.00 0.00 179.24 178.66 1n81 h ASP 177 N 0.44 0.27 -0.88 6.45 3.32 -1.99 -1.32 116.42 122.71 1n81 h ASP 177 Ca 0.20 -0.59 0.04 0.00 0.02 0.00 0.00 57.03 56.71 1n81 h ASP 177 Cb 0.25 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 1n81 h ASP 177 CO -0.05 0.82 0.58 1.56 -1.72 0.00 0.00 179.24 180.42 1n81 h GLN 178 N -0.25 1.04 -0.00 3.56 4.20 -1.75 -0.49 115.11 121.42 1n81 h GLN 178 Ca -0.00 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1n81 h GLN 178 Cb 0.78 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1n81 h GLN 178 CO 0.04 0.69 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.97 1n81 h TYR 179 N 1.07 0.01 -0.85 2.96 3.20 -0.90 -1.17 116.97 121.29 1n81 h TYR 179 Ca 0.36 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.25 1n81 h TYR 179 Cb 0.08 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 1n81 h TYR 179 CO -0.00 0.36 0.56 -0.22 -1.64 0.00 0.00 178.16 177.21 1n81 h LYS 180 N -0.34 1.09 -0.55 1.82 3.64 -0.90 -0.38 116.57 120.95 1n81 h LYS 180 Ca 0.00 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1n81 h LYS 180 Cb 0.35 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1n81 h LYS 180 CO 0.00 0.72 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.43 1n81 h ASP 181 N 1.12 0.98 -0.65 4.20 3.32 -1.07 -2.76 116.42 121.57 1n81 h ASP 181 Ca 0.32 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1n81 h ASP 181 Cb -0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 1n81 h ASP 181 CO -0.08 1.06 0.36 0.00 -1.72 0.00 0.00 179.24 178.86 1n81 h ALA 182 N 0.95 0.83 -0.75 3.45 0.00 -0.60 -1.77 119.26 121.37 1n81 h ALA 182 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1n81 h ALA 182 Cb 0.58 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1n81 h ALA 182 CO 0.03 0.33 0.46 0.00 0.00 0.00 0.00 179.25 180.07 1n81 h ALA 183 N 1.18 1.39 -0.58 0.00 0.00 -0.96 -0.52 119.26 119.76 1n81 h ALA 183 Ca 0.23 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1n81 h ALA 183 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1n81 h ALA 183 CO -0.04 0.53 0.04 0.00 0.00 0.00 0.00 179.25 179.78 1n81 h ALA 184 N 1.47 0.77 -0.68 0.00 0.00 -1.14 -2.38 119.26 117.32 1n81 h ALA 184 Ca 0.27 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1n81 h ALA 184 Cb -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1n81 h ALA 184 CO -0.05 0.57 0.24 0.00 0.00 0.00 0.00 179.25 180.01 1n81 h ARG 185 N 0.89 1.03 -0.03 0.00 3.08 -0.47 -1.02 114.38 117.86 1n81 h ARG 185 Ca 0.17 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1n81 h ARG 185 Cb 0.50 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1n81 h ARG 185 CO 0.02 0.88 -0.02 0.82 -1.07 0.00 0.00 179.97 180.60 1n81 h ILE 186 N 0.97 0.93 -0.61 2.04 2.04 -0.98 0.81 117.51 122.72 1n81 h ILE 186 Ca 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 1n81 h ILE 186 Cb 0.26 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1n81 h ILE 186 CO -0.01 0.00 0.30 0.28 0.00 0.00 0.00 178.15 178.72 1n81 h SER 187 N -0.03 0.80 -0.32 1.72 0.02 -1.29 -0.96 113.55 113.48 1n81 h SER 187 Ca 0.02 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1n81 h SER 187 Cb 0.06 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1n81 h SER 187 CO -0.05 0.70 0.17 -0.61 -1.14 0.00 0.00 176.83 175.91 1n81 h GLN 188 N 0.84 0.45 -0.40 3.45 4.15 -0.62 -2.16 115.11 120.81 1n81 h GLN 188 Ca 0.21 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.61 1n81 h GLN 188 Cb 0.11 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1n81 h GLN 188 CO -0.03 0.39 0.19 0.35 -1.93 0.00 0.00 178.83 177.81 1n81 h PHE 189 N 0.39 0.36 -0.05 3.99 3.57 0.98 -1.86 116.94 124.32 1n81 h PHE 189 Ca 0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1n81 h PHE 189 Cb 0.08 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 1n81 h PHE 189 CO -0.03 0.18 0.03 -0.07 -2.23 0.00 0.00 178.31 176.19 1n81 h LEU 190 N 0.39 0.05 -0.61 0.59 3.38 -0.95 0.51 115.31 118.67 1n81 h LEU 190 Ca 0.17 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1n81 h LEU 190 Cb 0.09 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1n81 h LEU 190 CO -0.13 0.07 0.33 0.40 0.09 0.00 0.00 178.44 179.21 1n81 h ILE 191 N 0.03 0.96 -0.18 1.22 2.04 -1.24 -0.84 117.51 119.50 1n81 h ILE 191 Ca 0.02 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 1n81 h ILE 191 Cb 0.03 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1n81 h ILE 191 CO -0.00 0.11 -0.40 0.44 0.00 0.00 0.00 178.15 178.30 1n81 h ASP 192 N 0.62 0.42 0.00 1.72 3.32 -1.13 -3.39 116.42 117.98 1n81 h ASP 192 Ca 0.27 -0.18 -0.32 0.00 0.02 0.00 0.00 57.03 56.82 1n81 h ASP 192 Cb 0.17 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1n81 h ASP 192 CO -0.18 0.78 -2.22 0.52 -1.72 0.00 0.00 179.24 176.42 1n81 n VAL 193 N -4.03 1.23 -1.69 -1.35 0.31 0.15 -4.95 118.33 108.00 1n81 n VAL 193 Ca -0.01 -0.49 -0.44 0.00 -0.01 0.00 0.00 64.34 63.38 1n81 n VAL 193 Cb 0.49 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.19 1n81 n VAL 193 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1n81 n VAL 194 N -3.09 0.77 -0.93 2.52 0.31 -0.36 -4.86 118.33 112.69 1n81 n VAL 194 Ca -0.37 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1n81 n VAL 194 Cb 0.92 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1n81 n VAL 194 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1n81 n ASP 195 N 2.45 0.10 0.27 4.52 3.85 -1.26 -4.89 116.55 121.59 1n81 n ASP 195 Ca 0.12 -1.03 0.12 0.00 -0.71 0.00 0.00 54.79 53.29 1n81 n ASP 195 Cb 0.33 0.00 0.77 0.00 -1.35 0.00 0.00 41.12 40.87 1n81 n ASP 195 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1n81 h SER 196 N 0.00 0.00 0.03 -1.12 4.64 -2.01 -2.34 113.55 112.75 1n81 h SER 196 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n81 h SER 196 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1n81 h SER 196 CO 0.00 0.07 -0.14 0.00 -0.87 0.00 0.00 176.83 175.89 1n81 n TYR 197 N -3.88 0.00 -2.64 4.77 0.18 -1.26 -4.96 117.16 109.36 1n81 n TYR 197 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 1n81 n TYR 197 Cb 0.16 -0.02 -0.04 0.00 -0.38 0.00 0.00 39.34 39.06 1n81 n TYR 197 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1n81 s ILE 198 N -2.19 4.49 -0.23 -3.48 1.01 -0.88 -5.05 121.20 114.87 1n81 s ILE 198 Ca 0.29 1.91 0.02 0.00 0.00 0.00 0.00 60.65 62.86 1n81 s ILE 198 Cb 0.20 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.50 1n81 s ILE 198 CO 0.40 0.22 -0.10 -0.63 0.00 0.00 0.00 174.94 174.83 1n81 s ILE 199 N 0.54 1.83 0.49 2.92 -1.09 -1.26 -5.11 121.20 119.52 1n81 s ILE 199 Ca 0.51 -1.29 -0.05 0.00 -2.23 0.00 0.00 60.65 57.59 1n81 s ILE 199 Cb -0.24 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1n81 s ILE 199 CO 0.30 0.05 0.79 -0.54 -1.23 0.00 0.00 174.94 174.30 1n81 s LYS 200 N 1.28 3.38 0.61 2.79 1.02 -1.26 -5.04 119.74 122.52 1n81 s LYS 200 Ca -0.05 0.08 -0.19 0.00 0.02 0.00 0.00 55.97 55.83 1n81 s LYS 200 Cb -0.18 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1n81 s LYS 200 CO -0.07 -0.29 1.31 -1.25 -0.92 0.00 0.00 175.35 174.13 1n81 s PRO 201 N -4.76 2.80 0.31 -1.68 0.04 -1.26 -4.94 135.00 125.51 1n81 s PRO 201 Ca 0.48 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 63.33 1n81 s PRO 201 Cb -0.10 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1n81 s PRO 201 CO 0.44 -1.42 1.34 0.42 0.04 0.00 0.00 177.00 177.82 1n81 s ILE 202 N -1.38 2.69 0.22 0.56 1.01 -1.26 -4.95 121.20 118.09 1n81 s ILE 202 Ca 0.78 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.80 1n81 s ILE 202 Cb -0.38 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 1n81 s ILE 202 CO 0.42 0.15 1.17 -2.84 0.00 0.00 0.00 174.94 173.84 1n81 s PRO 203 N -1.50 4.53 1.11 2.79 0.02 -1.26 -5.02 135.00 135.67 1n81 s PRO 203 Ca 0.51 1.87 -0.14 0.00 0.02 0.00 0.00 61.00 63.26 1n81 s PRO 203 Cb -0.40 -3.21 0.24 0.00 0.02 0.00 0.00 34.50 31.15 1n81 s PRO 203 CO 0.51 -0.00 1.07 0.00 -0.33 0.00 0.00 177.00 178.25 1n81 s ALA 204 N -0.47 0.40 -1.10 -1.55 0.00 -1.26 -4.94 121.76 112.85 1n81 s ALA 204 Ca 0.50 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 51.90 1n81 s ALA 204 Cb -0.33 -3.09 0.27 0.00 0.00 0.00 0.00 23.12 19.98 1n81 s ALA 204 CO 0.39 -3.35 1.09 -1.17 0.00 0.00 0.00 175.76 172.72 1n81 s LEU 205 N -6.82 6.34 0.00 0.00 2.96 -1.26 -5.31 118.68 114.59 1n81 s LEU 205 Ca 0.67 -3.57 0.00 0.00 -0.22 0.00 0.00 54.13 51.01 1n81 s LEU 205 Cb -0.18 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.31 1n81 s LEU 205 CO 0.59 -0.29 0.14 -2.65 -1.32 0.00 0.00 176.35 172.82