#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mn8 n THR 4 N 0.00 0.00 -1.48 5.09 -1.04 -1.26 -5.02 114.28 110.58 1mn8 n THR 4 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 1mn8 n THR 4 Cb 0.00 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.64 1mn8 n THR 4 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1mn8 n VAL 5 N -1.71 2.97 -1.73 12.58 0.24 -1.26 -5.01 118.33 124.40 1mn8 n VAL 5 Ca 0.00 -2.88 -0.42 0.00 -2.04 0.00 0.00 64.34 59.00 1mn8 n VAL 5 Cb 0.00 -0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 31.66 1mn8 n VAL 5 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1mn8 n THR 6 N -1.01 1.49 -1.38 3.34 5.66 -1.26 -4.90 114.28 116.22 1mn8 n THR 6 Ca 0.48 -0.37 -0.34 0.00 -3.05 0.00 0.00 64.05 60.77 1mn8 n THR 6 Cb 1.07 -1.80 0.10 0.00 -1.55 0.00 0.00 70.33 68.15 1mn8 n THR 6 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1mn8 s THR 7 N -0.55 2.16 0.20 1.09 -4.23 -1.26 -4.78 115.64 108.27 1mn8 s THR 7 Ca 0.60 0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 61.09 1mn8 s THR 7 Cb -0.53 -2.67 0.14 0.00 1.34 0.00 0.00 72.50 70.78 1mn8 s THR 7 CO 0.56 -0.04 1.73 -0.65 -0.54 0.00 0.00 174.62 175.68 1mn8 h PRO 8 N -0.36 0.33 -0.20 3.99 0.11 -1.79 -0.47 132.00 133.61 1mn8 h PRO 8 Ca -0.48 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1mn8 h PRO 8 Cb 1.30 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1mn8 h PRO 8 CO 0.49 0.22 0.03 1.25 -0.21 0.00 0.00 178.00 179.78 1mn8 h LEU 9 N 0.34 -0.01 -1.35 2.35 5.85 -1.07 -0.81 115.31 120.60 1mn8 h LEU 9 Ca 0.30 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.00 1mn8 h LEU 9 Cb 0.39 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1mn8 h LEU 9 CO -0.33 0.02 -0.12 0.77 -0.34 0.00 0.00 178.44 178.45 1mn8 h SER 10 N 0.11 0.27 -0.32 1.25 4.64 -1.67 -1.03 113.55 116.80 1mn8 h SER 10 Ca 0.09 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1mn8 h SER 10 Cb 0.09 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1mn8 h SER 10 CO -0.13 0.42 0.18 -0.07 -0.87 0.00 0.00 176.83 176.36 1mn8 h LEU 11 N 0.27 0.40 -1.24 5.97 3.38 -0.62 0.19 115.31 123.66 1mn8 h LEU 11 Ca 0.06 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1mn8 h LEU 11 Cb 0.38 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1mn8 h LEU 11 CO 0.02 0.36 0.52 0.71 0.09 0.00 0.00 178.44 180.15 1mn8 h THR 12 N 0.40 1.17 -0.19 0.22 1.35 -0.53 -1.91 112.91 113.42 1mn8 h THR 12 Ca 0.11 -0.35 -0.12 0.00 -0.55 0.00 0.00 66.41 65.50 1mn8 h THR 12 Cb 0.05 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.51 1mn8 h THR 12 CO -0.02 0.19 -0.39 -0.07 -0.25 0.00 0.00 175.52 174.98 1mn8 h LEU 13 N 1.03 0.45 -2.21 3.87 3.38 -0.87 -1.93 115.31 119.03 1mn8 h LEU 13 Ca 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1mn8 h LEU 13 Cb -0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1mn8 h LEU 13 CO -0.07 0.80 -0.04 1.23 0.09 0.00 0.00 178.44 180.44 1mn8 h GLY 14 N 1.12 0.00 -4.49 0.83 0.00 -0.21 -3.16 103.07 97.15 1mn8 h GLY 14 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.94 1mn8 h GLY 14 CO 0.07 0.00 -0.94 1.42 0.00 0.00 0.00 176.54 177.08 1mn8 n HIS 15 N -3.30 2.16 -0.31 5.60 8.25 -0.84 -4.95 115.22 121.83 1mn8 n HIS 15 Ca -0.02 -2.27 -0.00 0.00 -0.26 0.00 0.00 57.72 55.17 1mn8 n HIS 15 Cb 0.19 -0.28 0.13 0.00 1.12 0.00 0.00 29.99 31.14 1mn8 n HIS 15 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1mn8 h TRP 16 N 2.40 1.00 -0.30 4.41 2.91 -1.33 -1.56 115.95 123.49 1mn8 h TRP 16 Ca 0.15 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.17 1mn8 h TRP 16 Cb 1.38 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 29.69 1mn8 h TRP 16 CO 0.70 0.54 0.08 0.87 -1.03 0.00 0.00 178.44 179.60 1mn8 h LYS 17 N 1.01 0.43 -0.13 2.65 1.79 -1.90 -0.92 116.57 119.50 1mn8 h LYS 17 Ca 0.36 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.62 1mn8 h LYS 17 Cb 0.09 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1mn8 h LYS 17 CO -0.15 0.40 -0.54 0.22 -1.08 0.00 0.00 179.45 178.30 1mn8 h ASP 18 N 0.43 0.41 -0.52 0.86 3.58 -1.68 -1.50 116.42 117.99 1mn8 h ASP 18 Ca 0.10 -0.21 0.04 0.00 0.42 0.00 0.00 57.03 57.38 1mn8 h ASP 18 Cb 0.16 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 1mn8 h ASP 18 CO -0.00 0.87 0.27 0.58 -2.88 0.00 0.00 179.24 178.07 1mn8 h VAL 19 N 0.28 0.97 -0.82 2.25 2.07 -0.75 -1.14 116.25 119.11 1mn8 h VAL 19 Ca 0.01 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1mn8 h VAL 19 Cb 1.04 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1mn8 h VAL 19 CO 0.09 0.10 0.53 -0.33 0.02 0.00 0.00 177.57 177.98 1mn8 h GLU 20 N 0.53 1.03 -0.68 1.57 5.08 -0.89 -0.65 114.58 120.56 1mn8 h GLU 20 Ca 0.23 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1mn8 h GLU 20 Cb 0.12 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 1mn8 h GLU 20 CO -0.15 0.68 0.37 -0.09 -1.00 0.00 0.00 179.01 178.81 1mn8 h ARG 21 N 1.06 0.65 -0.52 2.33 1.12 -0.88 0.11 114.38 118.24 1mn8 h ARG 21 Ca 0.32 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 59.11 1mn8 h ARG 21 Cb -0.04 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 29.75 1mn8 h ARG 21 CO -0.10 0.43 0.16 0.82 -3.11 0.00 0.00 179.97 178.17 1mn8 h ILE 22 N 0.66 1.23 -0.07 1.20 2.04 -0.67 -1.67 117.51 120.24 1mn8 h ILE 22 Ca 0.31 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.41 1mn8 h ILE 22 Cb 0.23 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1mn8 h ILE 22 CO -0.20 0.29 -0.09 0.00 0.00 0.00 0.00 178.15 178.15 1mn8 h ALA 23 N 1.02 -0.03 -0.87 1.87 0.00 -0.69 -2.76 119.26 117.80 1mn8 h ALA 23 Ca 0.17 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1mn8 h ALA 23 Cb 0.28 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1mn8 h ALA 23 CO -0.01 -0.56 0.57 0.45 0.00 0.00 0.00 179.25 179.71 1mn8 h HIS 24 N -0.12 1.03 0.00 0.00 3.86 -0.51 0.10 115.15 119.51 1mn8 h HIS 24 Ca 0.06 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1mn8 h HIS 24 Cb 0.20 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1mn8 h HIS 24 CO -0.19 0.57 0.00 -0.97 0.86 0.00 0.00 177.93 178.21 1mn8 h ASN 25 N 1.04 0.00 -0.57 2.45 -1.24 -1.03 0.46 115.58 116.69 1mn8 h ASN 25 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.37 1mn8 h ASN 25 Cb 0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1mn8 h ASN 25 CO -0.12 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.02 1mn8 n GLN 26 N -2.74 2.53 -2.94 6.67 1.13 0.29 -4.95 117.38 117.37 1mn8 n GLN 26 Ca -0.00 -2.15 -0.21 0.00 -1.94 0.00 0.00 57.00 52.70 1mn8 n GLN 26 Cb 0.19 -1.52 0.03 0.00 0.11 0.00 0.00 30.24 29.05 1mn8 n GLN 26 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1mn8 n SER 27 N 1.14 -5.88 -4.27 1.08 7.64 0.15 -5.00 113.62 108.48 1mn8 n SER 27 Ca 0.20 -0.26 -0.21 0.00 1.01 0.00 0.00 58.87 59.61 1mn8 n SER 27 Cb 0.55 -4.71 -0.10 0.00 -1.01 0.00 0.00 64.21 58.94 1mn8 n SER 27 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1mn8 s VAL 28 N -3.14 0.77 0.04 0.44 -7.23 -0.77 -5.01 120.40 105.50 1mn8 s VAL 28 Ca 0.27 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1mn8 s VAL 28 Cb -0.12 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 1mn8 s VAL 28 CO 0.34 0.00 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.39 1mn8 s ASP 29 N -3.47 1.31 -0.00 4.85 2.15 -1.26 -2.63 116.67 117.62 1mn8 s ASP 29 Ca 0.33 -0.47 0.03 0.00 0.43 0.00 0.00 52.55 52.88 1mn8 s ASP 29 Cb 0.06 -0.05 -0.01 0.00 -0.30 0.00 0.00 42.92 42.62 1mn8 s ASP 29 CO 0.15 -0.05 -0.10 0.68 -0.17 0.00 0.00 175.17 175.68 1mn8 s VAL 30 N -0.98 0.78 -0.11 1.11 -7.23 -1.26 -4.84 120.40 107.87 1mn8 s VAL 30 Ca -0.02 -0.46 -0.13 0.00 -1.81 0.00 0.00 61.98 59.55 1mn8 s VAL 30 Cb -0.08 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 1mn8 s VAL 30 CO 0.01 0.19 0.32 -0.54 -0.31 0.00 0.00 175.10 174.76 1mn8 s LYS 31 N -0.32 4.06 0.22 4.82 1.02 -1.26 -4.97 119.74 123.31 1mn8 s LYS 31 Ca 0.03 0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.11 1mn8 s LYS 31 Cb -0.04 -3.34 0.20 0.00 -0.52 0.00 0.00 37.83 34.13 1mn8 s LYS 31 CO -0.00 0.43 1.90 -0.22 -0.92 0.00 0.00 175.35 176.53 1mn8 h LYS 32 N 5.92 1.11 -0.23 1.68 3.64 -2.00 -0.43 116.57 126.24 1mn8 h LYS 32 Ca -0.46 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 58.74 1mn8 h LYS 32 Cb 1.19 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1mn8 h LYS 32 CO 0.69 0.73 -0.33 0.07 -2.27 0.00 0.00 179.45 178.34 1mn8 h ARG 33 N 1.14 0.50 -0.24 1.90 0.11 -2.00 -1.54 114.38 114.25 1mn8 h ARG 33 Ca 0.31 -0.22 -0.17 0.00 0.10 0.00 0.00 59.98 60.00 1mn8 h ARG 33 Cb -0.13 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 30.94 1mn8 h ARG 33 CO -0.07 0.77 -0.52 0.00 0.10 0.00 0.00 179.97 180.25 1mn8 h ARG 34 N 0.42 0.77 -0.55 0.08 2.47 -1.89 -1.29 114.38 114.40 1mn8 h ARG 34 Ca 0.05 -0.51 0.11 0.00 -1.26 0.00 0.00 59.98 58.37 1mn8 h ARG 34 Cb 0.79 0.07 -0.11 0.00 -1.65 0.00 0.00 29.97 29.07 1mn8 h ARG 34 CO 0.06 1.14 -0.15 2.35 0.56 0.00 0.00 179.97 183.94 1mn8 h TRP 35 N 0.52 -0.32 0.11 3.04 2.91 -0.70 0.13 115.95 121.64 1mn8 h TRP 35 Ca 0.00 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.07 1mn8 h TRP 35 Cb 1.13 0.23 0.00 0.00 -0.51 0.00 0.00 29.16 30.01 1mn8 h TRP 35 CO 0.08 -0.25 -0.05 0.28 -1.03 0.00 0.00 178.44 177.47 1mn8 h VAL 36 N -0.01 1.01 -0.51 2.65 2.07 -1.20 -1.71 116.25 118.55 1mn8 h VAL 36 Ca 0.26 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1mn8 h VAL 36 Cb 0.41 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1mn8 h VAL 36 CO -0.57 0.12 0.31 0.74 0.02 0.00 0.00 177.57 178.19 1mn8 h THR 37 N -0.37 1.15 -0.28 2.57 2.02 -0.90 0.18 112.91 117.28 1mn8 h THR 37 Ca -0.02 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1mn8 h THR 37 Cb 0.31 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1mn8 h THR 37 CO 0.03 0.15 0.08 -0.26 0.37 0.00 0.00 175.52 175.89 1mn8 h PHE 38 N 0.68 0.45 -0.39 3.16 0.05 -0.75 0.10 116.94 120.24 1mn8 h PHE 38 Ca 0.18 -0.05 0.00 0.00 3.82 0.00 0.00 57.97 61.93 1mn8 h PHE 38 Cb -0.03 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 37.77 1mn8 h PHE 38 CO -0.03 0.49 0.25 0.00 -0.18 0.00 0.00 178.31 178.84 1mn8 n SER 40 N -4.80 0.93 -0.08 0.00 7.64 0.03 -4.36 113.62 112.97 1mn8 n SER 40 Ca 0.00 0.15 -0.18 0.00 1.01 0.00 0.00 58.87 59.85 1mn8 n SER 40 Cb 0.03 0.13 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 1mn8 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mn8 n ALA 41 N -2.80 1.90 -0.08 -0.43 0.00 -0.06 -4.73 120.51 114.30 1mn8 n ALA 41 Ca -0.29 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.35 1mn8 n ALA 41 Cb 1.08 0.28 -0.08 0.00 0.00 0.00 0.00 19.45 20.73 1mn8 n ALA 41 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1mn8 h GLU 42 N -0.61 0.00 -0.40 0.00 4.39 -1.26 -3.36 114.58 113.34 1mn8 h GLU 42 Ca -0.43 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 1mn8 h GLU 42 Cb 1.36 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 1mn8 h GLU 42 CO -0.26 0.63 0.10 -1.49 -1.16 0.00 0.00 179.01 176.84 1mn8 h TRP 43 N -1.00 0.59 0.00 4.33 6.55 -1.16 -1.04 115.95 124.23 1mn8 h TRP 43 Ca -0.12 -0.04 -0.01 0.00 0.95 0.00 0.00 58.89 59.68 1mn8 h TRP 43 Cb 0.83 -0.18 -0.00 0.00 -0.86 0.00 0.00 29.16 28.95 1mn8 h TRP 43 CO 0.07 0.51 -0.03 -1.35 -1.05 0.00 0.00 178.44 176.59 1mn8 h PRO 44 N 0.58 0.00 0.00 0.49 0.11 -1.74 -1.93 132.00 129.50 1mn8 h PRO 44 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1mn8 h PRO 44 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1mn8 h PRO 44 CO -0.00 0.03 0.00 0.25 -0.21 0.00 0.00 178.00 178.06 1mn8 n THR 45 N -4.47 0.83 0.29 -1.15 -2.24 -0.39 -2.30 114.28 104.84 1mn8 n THR 45 Ca -0.03 0.19 0.18 0.00 -2.27 0.00 0.00 64.05 62.11 1mn8 n THR 45 Cb 0.11 -1.05 0.82 0.00 -2.10 0.00 0.00 70.33 68.12 1mn8 n THR 45 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1mn8 h PHE 46 N 0.00 0.00 -5.55 4.78 0.05 -1.41 -3.47 116.94 111.35 1mn8 h PHE 46 Ca 0.00 0.00 -0.40 0.00 3.82 0.00 0.00 57.97 61.39 1mn8 h PHE 46 Cb 0.37 0.00 0.12 0.00 2.00 0.00 0.00 35.95 38.44 1mn8 h PHE 46 CO 0.00 0.04 -0.66 0.09 -0.18 0.00 0.00 178.31 177.60 1mn8 n ASN 47 N -3.20 -6.31 -0.57 2.17 4.13 -0.97 -4.88 115.26 105.62 1mn8 n ASN 47 Ca -0.01 -0.49 0.09 0.00 1.68 0.00 0.00 54.58 55.85 1mn8 n ASN 47 Cb 0.24 -4.97 0.21 0.00 -1.54 0.00 0.00 39.78 33.72 1mn8 n ASN 47 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1mn8 n VAL 48 N -4.90 2.07 -0.41 2.41 0.24 -1.26 -4.98 118.33 111.50 1mn8 n VAL 48 Ca -0.01 -1.97 0.00 0.00 -2.04 0.00 0.00 64.34 60.31 1mn8 n VAL 48 Cb 0.57 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1mn8 n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mn8 n GLY 49 N -0.81 0.78 3.62 7.63 0.00 -1.26 -4.81 105.19 110.34 1mn8 n GLY 49 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1mn8 n GLY 49 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1mn8 s TRP 50 N -2.12 3.04 0.44 1.61 -0.11 -1.26 -5.00 118.94 115.54 1mn8 s TRP 50 Ca 0.00 1.02 -0.23 0.00 1.22 0.00 0.00 56.10 58.11 1mn8 s TRP 50 Cb 0.00 -3.93 -0.08 0.00 -1.50 0.00 0.00 33.47 27.96 1mn8 s TRP 50 CO 0.00 -0.93 1.16 -2.14 -4.62 0.00 0.00 176.95 170.42 1mn8 s PRO 51 N 3.90 3.86 0.41 5.86 0.02 -1.26 -4.09 135.00 143.70 1mn8 s PRO 51 Ca 0.46 1.77 0.14 0.00 0.02 0.00 0.00 61.00 63.39 1mn8 s PRO 51 Cb -0.11 -2.48 0.99 0.00 0.02 0.00 0.00 34.50 32.93 1mn8 s PRO 51 CO 0.21 -0.47 1.91 -0.09 -0.33 0.00 0.00 177.00 178.23 1mn8 h ARG 52 N 2.21 0.47 -0.65 5.54 2.43 -1.86 0.11 114.38 122.64 1mn8 h ARG 52 Ca -0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1mn8 h ARG 52 Cb 1.24 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1mn8 h ARG 52 CO 0.61 0.31 0.00 -0.25 -1.51 0.00 0.00 179.97 179.13 1mn8 n ASP 53 N -4.50 4.99 0.00 -3.80 9.92 -1.26 -3.58 116.55 118.32 1mn8 n ASP 53 Ca 0.15 -2.77 0.00 0.00 -0.53 0.00 0.00 54.79 51.64 1mn8 n ASP 53 Cb 0.51 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1mn8 n ASP 53 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mn8 n GLY 54 N 0.56 -1.52 3.49 0.44 0.00 0.39 -0.48 105.19 108.06 1mn8 n GLY 54 Ca 0.24 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 1mn8 n GLY 54 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mn8 s THR 55 N -1.64 0.00 -1.59 2.61 -1.32 -1.26 -4.58 115.64 107.86 1mn8 s THR 55 Ca 0.00 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.66 1mn8 s THR 55 Cb 0.00 -1.00 0.49 0.00 -1.51 0.00 0.00 72.50 70.48 1mn8 s THR 55 CO 0.00 0.00 1.40 0.49 -2.21 0.00 0.00 174.62 174.30 1mn8 n PHE 56 N 0.47 0.73 -2.46 9.09 3.72 -1.26 -4.91 117.46 122.83 1mn8 n PHE 56 Ca -0.18 -0.47 -0.42 0.00 -0.05 0.00 0.00 57.45 56.32 1mn8 n PHE 56 Cb 0.60 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.10 1mn8 n PHE 56 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1mn8 s ASN 57 N -1.03 7.04 0.23 4.37 3.84 -1.26 -4.82 114.94 123.31 1mn8 s ASN 57 Ca 0.38 1.78 -0.03 0.00 0.21 0.00 0.00 52.86 55.19 1mn8 s ASN 57 Cb 0.20 -2.55 0.24 0.00 -0.55 0.00 0.00 41.25 38.59 1mn8 s ASN 57 CO 0.26 -0.61 1.68 0.03 -2.79 0.00 0.00 177.10 175.67 1mn8 h ARG 58 N 7.57 0.77 -0.55 0.43 3.08 -1.95 -1.36 114.38 122.36 1mn8 h ARG 58 Ca -0.33 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.43 1mn8 h ARG 58 Cb 1.15 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1mn8 h ARG 58 CO 0.90 0.87 0.27 -0.44 -1.07 0.00 0.00 179.97 180.50 1mn8 h ASP 59 N 0.68 0.72 -0.41 7.04 3.45 -1.99 -0.56 116.42 125.35 1mn8 h ASP 59 Ca 0.11 -0.13 -0.11 0.00 0.43 0.00 0.00 57.03 57.33 1mn8 h ASP 59 Cb 0.64 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 1mn8 h ASP 59 CO 0.04 0.64 -0.17 -0.07 -1.57 0.00 0.00 179.24 178.12 1mn8 h LEU 60 N 0.74 0.86 -0.68 1.55 3.38 -1.84 -1.85 115.31 117.47 1mn8 h LEU 60 Ca 0.19 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1mn8 h LEU 60 Cb 0.11 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1mn8 h LEU 60 CO -0.02 1.06 0.34 0.40 0.09 0.00 0.00 178.44 180.31 1mn8 h ILE 61 N 0.66 0.88 -0.61 1.22 2.04 -1.09 -2.21 117.51 118.39 1mn8 h ILE 61 Ca 0.10 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1mn8 h ILE 61 Cb 0.72 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1mn8 h ILE 61 CO 0.05 0.11 0.19 0.74 0.00 0.00 0.00 178.15 179.25 1mn8 h THR 62 N 0.60 1.23 -0.28 -0.27 2.02 -0.75 0.04 112.91 115.51 1mn8 h THR 62 Ca 0.33 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1mn8 h THR 62 Cb 0.30 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1mn8 h THR 62 CO -0.24 0.30 0.15 1.56 0.37 0.00 0.00 175.52 177.67 1mn8 h GLN 63 N 0.89 0.31 -0.56 6.66 1.08 -0.74 -0.69 115.11 122.06 1mn8 h GLN 63 Ca 0.20 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1mn8 h GLN 63 Cb 0.25 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1mn8 h GLN 63 CO -0.01 0.20 0.25 0.28 -0.95 0.00 0.00 178.83 178.61 1mn8 h VAL 64 N 0.32 1.21 -0.57 -0.54 2.07 -1.09 -2.69 116.25 114.96 1mn8 h VAL 64 Ca 0.11 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 67.07 1mn8 h VAL 64 Cb 0.01 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1mn8 h VAL 64 CO -0.06 0.25 0.23 0.50 0.02 0.00 0.00 177.57 178.52 1mn8 h LYS 65 N 0.77 0.42 -0.79 1.57 3.64 -0.46 0.71 116.57 122.43 1mn8 h LYS 65 Ca 0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1mn8 h LYS 65 Cb 0.16 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1mn8 h LYS 65 CO -0.02 0.28 0.44 0.82 -2.27 0.00 0.00 179.45 178.70 1mn8 h ILE 66 N 0.44 1.23 0.19 2.00 1.08 -1.03 0.17 117.51 121.59 1mn8 h ILE 66 Ca 0.28 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1mn8 h ILE 66 Cb 0.30 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.22 1mn8 h ILE 66 CO -0.26 0.26 -0.09 0.50 -0.69 0.00 0.00 178.15 177.87 1mn8 h LYS 67 N 1.10 -0.24 -0.87 2.37 3.11 -1.01 -2.32 116.57 118.71 1mn8 h LYS 67 Ca 0.28 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.17 1mn8 h LYS 67 Cb 0.02 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.25 1mn8 h LYS 67 CO -0.05 -0.11 0.56 0.28 -2.81 0.00 0.00 179.45 177.33 1mn8 h VAL 68 N -0.32 1.12 -0.10 2.00 2.07 -0.50 -2.30 116.25 118.23 1mn8 h VAL 68 Ca -0.03 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1mn8 h VAL 68 Cb 0.25 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1mn8 h VAL 68 CO 0.04 0.20 0.00 0.49 0.02 0.00 0.00 177.57 178.32 1mn8 n PHE 69 N -4.55 0.12 -1.39 1.57 3.01 0.01 -0.80 117.46 115.43 1mn8 n PHE 69 Ca 0.11 -0.06 -0.33 0.00 1.01 0.00 0.00 57.45 58.18 1mn8 n PHE 69 Cb 0.11 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.67 1mn8 n PHE 69 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1mn8 s SER 70 N -1.54 4.38 0.46 4.37 0.01 -0.86 -4.94 113.70 115.57 1mn8 s SER 70 Ca 0.29 2.08 -0.23 0.00 1.31 0.00 0.00 55.95 59.41 1mn8 s SER 70 Cb 0.15 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 1mn8 s SER 70 CO 0.23 -2.13 1.13 -2.16 0.41 0.00 0.00 173.24 170.73 1mn8 s PRO 71 N -4.32 3.79 0.44 12.44 0.04 -1.26 -2.94 135.00 143.19 1mn8 s PRO 71 Ca 0.67 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 63.17 1mn8 s PRO 71 Cb -0.22 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 31.84 1mn8 s PRO 71 CO 0.48 -0.50 0.86 0.41 0.04 0.00 0.00 177.00 178.29 1mn8 n GLY 72 N 0.35 -0.61 1.41 0.56 0.00 -1.26 -0.77 105.19 104.87 1mn8 n GLY 72 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1mn8 n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mn8 n PRO 73 N 0.13 3.54 0.08 1.61 -0.04 -1.26 -4.89 135.00 134.17 1mn8 n PRO 73 Ca 0.11 -2.04 0.12 0.00 -0.04 0.00 0.00 63.50 61.64 1mn8 n PRO 73 Cb 0.40 -2.00 0.06 0.00 -0.04 0.00 0.00 33.50 31.92 1mn8 n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1mn8 h HIS 74 N 2.59 0.00 -4.67 0.54 3.86 -1.21 -3.48 115.15 112.78 1mn8 h HIS 74 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1mn8 h HIS 74 Cb 1.47 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.93 1mn8 h HIS 74 CO 0.71 0.00 -0.07 0.41 0.86 0.00 0.00 177.93 179.84 1mn8 n GLY 75 N 1.25 2.66 2.38 2.45 0.00 -1.15 -4.67 105.19 108.10 1mn8 n GLY 75 Ca 0.01 -2.20 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 1mn8 n GLY 75 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mn8 n HIS 76 N -1.07 -1.12 -0.35 1.61 8.25 0.02 -4.93 115.22 117.62 1mn8 n HIS 76 Ca 0.01 -3.15 0.10 0.00 -0.26 0.00 0.00 57.72 54.42 1mn8 n HIS 76 Cb 0.20 0.25 0.28 0.00 1.12 0.00 0.00 29.99 31.85 1mn8 n HIS 76 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1mn8 h PRO 77 N 5.06 0.86 0.00 -0.41 0.11 -1.94 -0.36 132.00 135.32 1mn8 h PRO 77 Ca 0.18 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1mn8 h PRO 77 Cb 0.92 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1mn8 h PRO 77 CO 0.36 0.57 -0.00 0.38 -0.21 0.00 0.00 178.00 179.10 1mn8 h ASP 78 N 0.89 0.00 0.39 -2.05 2.03 -1.94 -2.54 116.42 113.20 1mn8 h ASP 78 Ca 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.81 1mn8 h ASP 78 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1mn8 h ASP 78 CO -0.29 0.00 -0.73 0.00 -1.03 0.00 0.00 179.24 177.20 1mn8 n GLN 79 N -3.58 0.07 -0.09 4.15 6.02 -0.15 -4.48 117.38 119.32 1mn8 n GLN 79 Ca -0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.90 1mn8 n GLN 79 Cb 0.08 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.81 1mn8 n GLN 79 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1mn8 h VAL 80 N 0.00 0.55 -0.50 5.09 2.07 -1.41 -1.91 116.25 120.14 1mn8 h VAL 80 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1mn8 h VAL 80 Cb 0.56 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1mn8 h VAL 80 CO 0.00 0.00 0.33 -0.65 0.02 0.00 0.00 177.57 177.27 1mn8 h PRO 81 N -0.09 0.57 0.08 1.57 0.11 -1.80 -1.15 132.00 131.28 1mn8 h PRO 81 Ca 0.17 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 1mn8 h PRO 81 Cb 0.34 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1mn8 h PRO 81 CO -0.38 0.38 -0.04 1.88 -0.21 0.00 0.00 178.00 179.63 1mn8 h TYR 82 N 0.59 -0.09 -0.19 0.65 0.05 -1.66 -1.91 116.97 114.40 1mn8 h TYR 82 Ca 0.20 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.86 1mn8 h TYR 82 Cb 0.07 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1mn8 h TYR 82 CO -0.00 0.34 -0.37 0.97 -1.05 0.00 0.00 178.16 178.05 1mn8 h ILE 83 N -0.56 1.30 -0.91 -2.88 6.09 -1.19 -1.45 117.51 117.91 1mn8 h ILE 83 Ca -0.01 -1.48 0.03 0.00 -1.37 0.00 0.00 64.86 62.03 1mn8 h ILE 83 Cb 0.48 1.57 -0.05 0.00 0.47 0.00 0.00 36.82 39.28 1mn8 h ILE 83 CO 0.02 0.46 0.59 0.58 -3.07 0.00 0.00 178.15 176.73 1mn8 h VAL 84 N 0.34 1.16 -0.20 2.19 2.07 -1.24 -0.29 116.25 120.29 1mn8 h VAL 84 Ca 0.04 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 1mn8 h VAL 84 Cb 0.82 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1mn8 h VAL 84 CO 0.07 0.21 -0.16 0.74 0.02 0.00 0.00 177.57 178.44 1mn8 h THR 85 N 1.16 1.32 -0.54 2.57 2.02 -0.92 -0.93 112.91 117.58 1mn8 h THR 85 Ca 0.36 -1.30 0.07 0.00 0.77 0.00 0.00 66.41 66.31 1mn8 h THR 85 Cb -0.02 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 1mn8 h THR 85 CO -0.11 0.40 0.21 -0.50 0.37 0.00 0.00 175.52 175.89 1mn8 h TRP 86 N 0.15 0.38 -0.27 3.16 4.06 -1.10 0.57 115.95 122.91 1mn8 h TRP 86 Ca 0.04 0.03 0.03 0.00 2.06 0.00 0.00 58.89 61.05 1mn8 h TRP 86 Cb 0.69 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.73 1mn8 h TRP 86 CO 0.07 0.13 0.07 1.49 -3.56 0.00 0.00 178.44 176.64 1mn8 h GLU 87 N 0.41 0.17 -0.62 0.49 4.81 -0.94 -1.59 114.58 117.31 1mn8 h GLU 87 Ca 0.26 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1mn8 h GLU 87 Cb 0.27 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1mn8 h GLU 87 CO -0.25 0.12 0.11 0.00 -0.73 0.00 0.00 179.01 178.25 1mn8 h ALA 88 N 1.18 1.01 -0.64 2.92 0.00 -0.76 0.02 119.26 123.00 1mn8 h ALA 88 Ca 0.12 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1mn8 h ALA 88 Cb 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1mn8 h ALA 88 CO -0.15 0.63 0.31 1.25 0.00 0.00 0.00 179.25 181.30 1mn8 h LEU 89 N 0.95 0.42 -0.29 0.00 6.46 -0.68 -1.98 115.31 120.19 1mn8 h LEU 89 Ca 0.19 0.05 -0.20 0.00 -0.12 0.00 0.00 57.88 57.80 1mn8 h LEU 89 Cb 0.40 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1mn8 h LEU 89 CO 0.01 0.26 -0.84 0.00 -0.62 0.00 0.00 178.44 177.25 1mn8 h ALA 90 N 1.38 0.48 0.01 1.25 0.00 -0.92 -3.12 119.26 118.34 1mn8 h ALA 90 Ca 0.30 -0.67 -0.22 0.00 0.00 0.00 0.00 54.91 54.33 1mn8 h ALA 90 Cb 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1mn8 h ALA 90 CO -0.23 0.81 -1.07 0.35 0.00 0.00 0.00 179.25 179.10 1mn8 h PHE 91 N 0.23 0.04 -1.72 0.00 3.57 -0.88 -3.38 116.94 114.80 1mn8 h PHE 91 Ca -0.05 -0.03 -0.49 0.00 3.53 0.00 0.00 57.97 60.93 1mn8 h PHE 91 Cb 1.45 -0.00 -0.36 0.00 2.79 0.00 0.00 35.95 39.83 1mn8 h PHE 91 CO 0.05 1.02 -1.05 -3.47 -2.23 0.00 0.00 178.31 172.64 1mn8 n ASP 92 N -3.34 -0.05 -4.85 0.41 2.03 -0.76 -5.08 116.55 104.90 1mn8 n ASP 92 Ca -0.02 -2.89 -0.31 0.00 0.52 0.00 0.00 54.79 52.09 1mn8 n ASP 92 Cb 0.95 -0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 41.05 1mn8 n ASP 92 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1mn8 s PRO 93 N -1.29 3.84 0.60 -0.67 0.04 -1.18 -4.70 135.00 131.64 1mn8 s PRO 93 Ca 0.36 0.83 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 1mn8 s PRO 93 Cb 0.23 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1mn8 s PRO 93 CO -0.11 -0.30 0.89 -1.25 0.04 0.00 0.00 177.00 176.27 1mn8 s PRO 94 N -4.30 2.73 0.50 0.56 0.04 -1.26 -4.94 135.00 128.33 1mn8 s PRO 94 Ca 0.57 -0.19 0.34 0.00 0.04 0.00 0.00 61.00 61.76 1mn8 s PRO 94 Cb -0.10 -2.30 1.79 0.00 0.04 0.00 0.00 34.50 33.93 1mn8 s PRO 94 CO 0.37 -0.78 2.03 -1.35 0.04 0.00 0.00 177.00 177.31 1mn8 h PRO 95 N -0.19 0.00 0.00 0.56 0.11 -2.00 -2.53 132.00 127.94 1mn8 h PRO 95 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mn8 h PRO 95 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1mn8 h PRO 95 CO 0.59 0.00 -0.24 0.11 -0.21 0.00 0.00 178.00 178.25 1mn8 h TRP 96 N 0.00 0.00 0.00 0.65 5.08 -2.02 -3.57 115.95 116.09 1mn8 h TRP 96 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1mn8 h TRP 96 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 1mn8 h TRP 96 CO 0.00 0.00 0.00 1.55 -1.28 0.00 0.00 178.44 178.71