#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r05 n ALA 2 N 0.00 0.00 -1.12 3.04 0.00 -1.26 -4.81 120.51 116.36 1r05 n ALA 2 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1r05 n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1r05 n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r05 n ASP 3 N -0.93 -5.02 -3.46 0.00 2.03 -1.26 -3.89 116.55 104.01 1r05 n ASP 3 Ca 0.00 0.10 -0.34 0.00 0.52 0.00 0.00 54.79 55.07 1r05 n ASP 3 Cb 0.00 -2.89 0.03 0.00 -0.72 0.00 0.00 41.12 37.54 1r05 n ASP 3 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1r05 n LYS 4 N -0.85 -1.94 -1.77 -0.67 4.81 -1.26 -4.60 118.16 111.87 1r05 n LYS 4 Ca -0.04 1.44 -0.19 0.00 -0.87 0.00 0.00 58.31 58.65 1r05 n LYS 4 Cb 0.39 -2.53 -0.08 0.00 0.02 0.00 0.00 35.03 32.83 1r05 n LYS 4 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1r05 s ARG 5 N -2.73 1.77 0.36 1.64 3.52 -1.25 -4.83 118.95 117.43 1r05 s ARG 5 Ca 0.33 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 1r05 s ARG 5 Cb -0.04 -5.01 0.00 0.00 -1.56 0.00 0.00 34.95 28.34 1r05 s ARG 5 CO 0.87 -4.63 0.00 0.00 -0.81 0.00 0.00 175.30 170.72 1r05 n ALA 6 N 17.44 0.00 -1.32 6.12 0.00 -1.26 -4.90 120.51 136.59 1r05 n ALA 6 Ca 0.43 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.03 1r05 n ALA 6 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1r05 n ALA 6 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1r05 n HIS 7 N 11.10 -3.22 -3.78 0.00 8.25 -1.26 -4.96 115.22 121.35 1r05 n HIS 7 Ca 0.00 1.70 -0.13 0.00 -0.26 0.00 0.00 57.72 59.03 1r05 n HIS 7 Cb 0.00 -2.92 -0.12 0.00 1.12 0.00 0.00 29.99 28.07 1r05 n HIS 7 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1r05 s HIS 8 N -3.38 -0.29 -0.03 4.41 3.76 -1.26 -5.15 115.29 113.35 1r05 s HIS 8 Ca 0.00 0.71 -0.19 0.00 -0.15 0.00 0.00 55.06 55.43 1r05 s HIS 8 Cb 0.00 0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.82 1r05 s HIS 8 CO 0.00 -0.15 0.41 1.21 -0.85 0.00 0.00 174.74 175.36 1r05 s ASN 9 N 0.27 -0.32 -0.79 1.40 3.84 -1.26 -5.10 114.94 112.98 1r05 s ASN 9 Ca -0.01 0.28 0.01 0.00 0.21 0.00 0.00 52.86 53.35 1r05 s ASN 9 Cb -0.03 0.39 0.19 0.00 -0.55 0.00 0.00 41.25 41.26 1r05 s ASN 9 CO -0.01 -0.47 0.63 0.00 -2.79 0.00 0.00 177.10 174.46 1r05 s ALA 10 N -1.22 4.02 -0.46 1.71 0.00 -1.26 -4.87 121.76 119.67 1r05 s ALA 10 Ca -0.12 -3.79 0.09 0.00 0.00 0.00 0.00 51.96 48.14 1r05 s ALA 10 Cb -0.04 -2.55 0.55 0.00 0.00 0.00 0.00 23.12 21.09 1r05 s ALA 10 CO 0.06 -2.12 1.39 -0.11 0.00 0.00 0.00 175.76 174.98 1r05 n LEU 11 N 2.29 4.44 -3.11 0.00 0.00 -1.26 -4.53 117.00 114.83 1r05 n LEU 11 Ca 0.19 -2.27 -0.18 0.00 0.00 0.00 0.00 56.01 53.76 1r05 n LEU 11 Cb 0.36 -0.64 -0.05 0.00 0.00 0.00 0.00 43.42 43.09 1r05 n LEU 11 CO 0.33 0.56 -0.14 -1.84 0.00 0.00 0.00 177.39 176.29 1r05 n GLU 12 N 0.29 0.46 -0.01 1.96 0.00 -1.26 -5.03 120.64 117.05 1r05 n GLU 12 Ca 0.22 -2.71 -0.01 0.00 0.00 0.00 0.00 57.16 54.65 1r05 n GLU 12 Cb 0.96 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.89 1r05 n GLU 12 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1r05 h ARG 13 N 4.92 -0.03 0.00 3.44 2.43 -2.02 -3.46 114.38 119.66 1r05 h ARG 13 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1r05 h ARG 13 Cb 0.97 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1r05 h ARG 13 CO 0.29 -0.02 0.00 1.17 -1.51 0.00 0.00 179.97 179.90 1r05 n LYS 14 N -2.93 0.00 0.00 0.20 3.00 -1.26 -4.31 118.16 112.87 1r05 n LYS 14 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1r05 n LYS 14 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.06 1r05 n LYS 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1r05 n ARG 15 N 0.00 4.36 -0.30 1.64 5.12 -1.26 -4.72 116.66 121.50 1r05 n ARG 15 Ca 0.00 -0.10 0.25 0.00 -1.93 0.00 0.00 57.85 56.07 1r05 n ARG 15 Cb 0.00 -0.54 0.56 0.00 -1.16 0.00 0.00 32.46 31.32 1r05 n ARG 15 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1r05 h ARG 16 N 0.00 0.29 -0.01 5.56 2.43 -1.94 0.30 114.38 121.01 1r05 h ARG 16 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1r05 h ARG 16 Cb 0.02 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1r05 h ARG 16 CO 0.00 0.19 -0.51 -3.47 -1.51 0.00 0.00 179.97 174.67 1r05 n ASP 17 N -4.51 1.48 0.00 -3.80 -0.08 -1.26 -4.25 116.55 104.13 1r05 n ASP 17 Ca 0.24 -1.17 0.00 0.00 -1.51 0.00 0.00 54.79 52.35 1r05 n ASP 17 Cb 0.92 0.46 0.00 0.00 2.34 0.00 0.00 41.12 44.84 1r05 n ASP 17 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1r05 n HIS 18 N -0.55 0.00 0.06 -0.67 -0.00 0.10 -2.74 115.22 111.43 1r05 n HIS 18 Ca 0.09 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.14 1r05 n HIS 18 Cb 0.40 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.20 1r05 n HIS 18 CO 0.00 0.00 0.00 -0.84 0.46 0.00 0.00 176.34 175.96 1r05 h ILE 19 N 0.00 0.97 -0.42 3.57 3.07 -1.83 -2.88 117.51 119.98 1r05 h ILE 19 Ca 0.00 -0.11 0.04 0.00 1.55 0.00 0.00 64.86 66.34 1r05 h ILE 19 Cb 0.00 1.04 -0.05 0.00 -0.27 0.00 0.00 36.82 37.54 1r05 h ILE 19 CO 0.00 0.03 -0.25 0.29 -1.05 0.00 0.00 178.15 177.17 1r05 n LYS 20 N -5.10 -0.19 -0.28 0.16 5.02 -1.26 0.28 118.16 116.78 1r05 n LYS 20 Ca -0.08 1.02 0.10 0.00 -2.02 0.00 0.00 58.31 57.33 1r05 n LYS 20 Cb 0.08 -1.51 0.24 0.00 -0.02 0.00 0.00 35.03 33.83 1r05 n LYS 20 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1r05 h ASP 21 N 0.00 -0.06 -0.05 4.39 1.82 -1.46 0.57 116.42 121.63 1r05 h ASP 21 Ca 0.07 0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1r05 h ASP 21 Cb 0.17 0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 1r05 h ASP 21 CO -0.40 -0.13 0.02 0.28 -1.61 0.00 0.00 179.24 177.40 1r05 h SER 22 N 0.21 0.06 -0.09 2.28 0.02 0.42 -2.25 113.55 114.20 1r05 h SER 22 Ca 0.50 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 1r05 h SER 22 Cb 0.96 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 1r05 h SER 22 CO -0.63 0.20 -0.37 -0.26 -1.14 0.00 0.00 176.83 174.63 1r05 h PHE 23 N -0.08 -1.10 -0.84 3.45 -1.00 0.90 2.48 116.94 120.75 1r05 h PHE 23 Ca 0.02 0.04 0.15 0.00 2.81 0.00 0.00 57.97 60.99 1r05 h PHE 23 Cb 0.16 0.49 -0.15 0.00 3.61 0.00 0.00 35.95 40.06 1r05 h PHE 23 CO -0.02 -0.37 -0.30 1.25 -1.61 0.00 0.00 178.31 177.25 1r05 h HIS 24 N -0.40 -0.78 0.00 -0.55 2.76 -0.65 1.81 115.15 117.34 1r05 h HIS 24 Ca 0.02 0.09 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 1r05 h HIS 24 Cb 0.46 0.47 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 1r05 h HIS 24 CO -0.54 -0.39 -0.40 0.77 -1.30 0.00 0.00 177.93 176.07 1r05 h SER 25 N -0.04 0.00 -0.12 3.26 0.02 -0.58 -2.75 113.55 113.34 1r05 h SER 25 Ca 0.35 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.21 1r05 h SER 25 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1r05 h SER 25 CO -0.87 0.40 -0.25 -0.07 -1.14 0.00 0.00 176.83 174.90 1r05 h LEU 26 N 0.00 0.43 -2.21 5.07 3.38 1.56 -2.64 115.31 120.90 1r05 h LEU 26 Ca -0.00 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.44 1r05 h LEU 26 Cb 0.72 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1r05 h LEU 26 CO 0.05 0.91 0.13 0.08 0.09 0.00 0.00 178.44 179.70 1r05 h ARG 27 N -0.03 0.00 0.00 1.13 0.11 0.18 0.34 114.38 116.12 1r05 h ARG 27 Ca 0.00 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.01 1r05 h ARG 27 Cb 0.84 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 1r05 h ARG 27 CO 0.06 0.00 -0.33 0.22 0.10 0.00 0.00 179.97 180.01 1r05 h ASP 28 N 0.00 0.00 0.03 0.08 1.82 -1.18 -2.82 116.42 114.35 1r05 h ASP 28 Ca 0.06 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.55 1r05 h ASP 28 Cb 0.31 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 1r05 h ASP 28 CO -0.00 0.33 -0.53 0.28 -1.61 0.00 0.00 179.24 177.71 1r05 h SER 29 N 0.00 0.60 -4.06 2.28 0.02 -0.11 -3.35 113.55 108.93 1r05 h SER 29 Ca -0.00 -0.31 -0.72 0.00 -0.84 0.00 0.00 61.79 59.91 1r05 h SER 29 Cb 0.85 -0.17 -0.33 0.00 0.14 0.00 0.00 62.40 62.89 1r05 h SER 29 CO 0.04 1.01 -0.24 -0.69 -1.14 0.00 0.00 176.83 175.82 1r05 s VAL 30 N -4.02 4.22 1.01 2.27 1.01 -1.06 -5.07 120.40 118.76 1r05 s VAL 30 Ca -0.07 -2.84 -0.12 0.00 0.00 0.00 0.00 61.98 58.94 1r05 s VAL 30 Cb 0.11 -3.70 0.19 0.00 0.00 0.00 0.00 36.38 32.99 1r05 s VAL 30 CO 0.84 -0.92 1.09 -2.16 0.00 0.00 0.00 175.10 173.95 1r05 s PRO 31 N -0.02 0.34 0.00 2.72 0.04 -1.25 -3.39 135.00 133.44 1r05 s PRO 31 Ca 0.17 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1r05 s PRO 31 Cb -0.18 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1r05 s PRO 31 CO -0.05 -2.79 0.00 0.45 0.04 0.00 0.00 177.00 174.65 1r05 n SER 32 N -4.22 -3.58 0.00 6.66 2.88 -1.26 -4.85 113.62 109.26 1r05 n SER 32 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1r05 n SER 32 Cb 0.57 -2.47 0.00 0.00 -0.75 0.00 0.00 64.21 61.56 1r05 n SER 32 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1r05 n LEU 33 N 0.00 0.77 0.00 2.46 7.94 -1.22 -4.75 117.00 122.20 1r05 n LEU 33 Ca 0.00 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1r05 n LEU 33 Cb 0.26 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.91 1r05 n LEU 33 CO 0.00 -0.29 0.00 0.00 -1.11 0.00 0.00 177.39 175.99 1r05 n GLN 34 N -1.65 0.00 -2.34 1.96 1.13 -1.26 -0.48 117.38 114.74 1r05 n GLN 34 Ca 0.00 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 1r05 n GLN 34 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 1r05 n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r05 n GLY 35 N 0.00 5.47 0.00 1.08 0.00 -1.26 -5.03 105.19 105.46 1r05 n GLY 35 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.54 1r05 n GLY 35 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1r05 n GLU 36 N -0.55 3.26 0.11 1.61 2.13 0.36 -4.87 120.64 122.70 1r05 n GLU 36 Ca 0.36 0.00 0.01 0.00 0.66 0.00 0.00 57.16 58.19 1r05 n GLU 36 Cb 0.81 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.51 1r05 n GLU 36 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1r05 h LYS 37 N 0.00 0.00 -7.29 5.31 1.63 -1.96 -3.46 116.57 110.80 1r05 h LYS 37 Ca 0.00 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.28 1r05 h LYS 37 Cb 0.00 0.00 0.16 0.00 -0.60 0.00 0.00 32.23 31.79 1r05 h LYS 37 CO 0.00 0.49 0.28 0.00 -3.45 0.00 0.00 179.45 176.78 1r05 s ALA 38 N -2.94 1.94 0.30 5.00 0.00 -1.26 -5.05 121.76 119.74 1r05 s ALA 38 Ca 0.02 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.40 1r05 s ALA 38 Cb 0.08 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1r05 s ALA 38 CO 0.76 -2.17 0.34 -1.12 0.00 0.00 0.00 175.76 173.58 1r05 s SER 39 N -3.04 0.84 1.82 0.00 0.01 -1.26 -4.80 113.70 107.27 1r05 s SER 39 Ca 0.64 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1r05 s SER 39 Cb -0.20 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1r05 s SER 39 CO 0.56 -1.11 0.00 -1.14 0.41 0.00 0.00 173.24 171.96 1r05 n ARG 40 N -0.49 0.00 0.15 12.44 0.00 -1.26 0.74 116.66 128.24 1r05 n ARG 40 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.90 1r05 n ARG 40 Cb 0.63 0.00 0.18 0.00 0.00 0.00 0.00 32.46 33.27 1r05 n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1r05 h ALA 41 N -0.91 0.83 0.00 5.13 0.00 -2.02 -3.46 119.26 118.83 1r05 h ALA 41 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1r05 h ALA 41 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1r05 h ALA 41 CO 0.00 0.65 0.00 1.04 0.00 0.00 0.00 179.25 180.94 1r05 n GLN 42 N -3.47 0.00 -0.03 0.00 6.02 0.23 -4.42 117.38 115.71 1r05 n GLN 42 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.86 1r05 n GLN 42 Cb 0.63 -0.23 -0.10 0.00 1.02 0.00 0.00 30.24 31.56 1r05 n GLN 42 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1r05 h ILE 43 N 0.00 1.49 -0.79 5.09 5.03 -1.89 -3.12 117.51 123.32 1r05 h ILE 43 Ca 0.00 -1.53 0.27 0.00 -0.12 0.00 0.00 64.86 63.48 1r05 h ILE 43 Cb 0.00 2.47 -0.15 0.00 -3.03 0.00 0.00 36.82 36.12 1r05 h ILE 43 CO 0.00 0.41 0.21 0.18 -0.68 0.00 0.00 178.15 178.27 1r05 n LEU 44 N -4.71 0.08 0.09 1.44 4.32 -1.26 0.39 117.00 117.35 1r05 n LEU 44 Ca -0.09 1.33 -0.13 0.00 -0.02 0.00 0.00 56.01 57.10 1r05 n LEU 44 Cb 0.35 -0.56 -0.08 0.00 -1.62 0.00 0.00 43.42 41.51 1r05 n LEU 44 CO 0.35 -1.41 0.77 -0.78 -1.22 0.00 0.00 177.39 175.10 1r05 h ASP 45 N 0.00 -0.14 0.00 -1.43 1.82 -1.91 -2.97 116.42 111.79 1r05 h ASP 45 Ca 0.57 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 57.10 1r05 h ASP 45 Cb 1.37 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.41 1r05 h ASP 45 CO -0.68 0.01 -0.13 0.11 -1.61 0.00 0.00 179.24 176.94 1r05 h LYS 46 N -0.27 0.00 -0.55 0.28 1.79 0.38 -2.93 116.57 115.27 1r05 h LYS 46 Ca -0.02 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.52 1r05 h LYS 46 Cb 0.22 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.79 1r05 h LYS 46 CO 0.03 0.80 -0.26 0.00 -1.08 0.00 0.00 179.45 178.93 1r05 n ALA 47 N -2.74 -0.19 -0.06 3.86 0.00 1.28 0.57 120.51 123.23 1r05 n ALA 47 Ca -0.10 0.52 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 1r05 n ALA 47 Cb 0.41 -0.18 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 1r05 n ALA 47 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1r05 h THR 48 N 0.00 1.30 -1.44 0.00 2.02 -1.68 -2.94 112.91 110.17 1r05 h THR 48 Ca 0.15 -1.97 0.42 0.00 0.77 0.00 0.00 66.41 65.77 1r05 h THR 48 Cb 0.29 2.45 -0.06 0.00 -1.74 0.00 0.00 68.15 69.09 1r05 h THR 48 CO -0.53 0.44 1.05 1.05 0.37 0.00 0.00 175.52 177.90 1r05 h GLU 49 N -1.00 0.00 -0.04 6.66 -0.00 -0.98 0.89 114.58 120.10 1r05 h GLU 49 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.32 1r05 h GLU 49 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.47 1r05 h GLU 49 CO 0.00 0.00 -0.15 1.88 -0.00 0.00 0.00 179.01 180.74 1r05 h TYR 50 N 0.00 0.23 0.11 2.06 -1.99 0.10 -2.66 116.97 114.82 1r05 h TYR 50 Ca 0.68 -0.10 -0.00 0.00 2.00 0.00 0.00 58.73 61.31 1r05 h TYR 50 Cb 2.78 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 41.47 1r05 h TYR 50 CO 0.00 0.78 -0.09 0.82 -0.00 0.00 0.00 178.16 179.67 1r05 h ILE 51 N -0.38 0.00 -0.80 -2.88 2.04 0.96 0.49 117.51 116.94 1r05 h ILE 51 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1r05 h ILE 51 Cb 0.78 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.75 1r05 h ILE 51 CO 0.03 0.00 -0.56 1.56 0.00 0.00 0.00 178.15 179.18 1r05 h GLN 52 N -0.19 -0.13 0.00 2.37 4.20 -1.46 1.50 115.11 121.41 1r05 h GLN 52 Ca -0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1r05 h GLN 52 Cb 0.16 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1r05 h GLN 52 CO 0.00 -0.08 0.00 0.98 -0.67 0.00 0.00 178.83 179.06 1r05 n TYR 53 N -5.31 0.00 -0.12 2.96 9.36 -1.00 -1.19 117.16 121.86 1r05 n TYR 53 Ca 0.01 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 1r05 n TYR 53 Cb 0.30 -0.45 -0.06 0.00 -0.63 0.00 0.00 39.34 38.50 1r05 n TYR 53 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 1r05 h MET 54 N 0.00 -0.35 -0.52 2.98 2.86 0.33 -0.38 114.93 119.85 1r05 h MET 54 Ca 0.00 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1r05 h MET 54 Cb 0.00 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 1r05 h MET 54 CO 0.00 -0.23 -0.43 -0.09 1.06 0.00 0.00 176.91 177.21 1r05 h ARG 55 N -0.36 -0.15 -0.86 1.72 1.12 0.21 1.15 114.38 117.20 1r05 h ARG 55 Ca 0.12 0.01 0.22 0.00 -1.11 0.00 0.00 59.98 59.22 1r05 h ARG 55 Cb 0.60 0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.54 1r05 h ARG 55 CO -0.57 -0.10 0.59 0.00 -3.11 0.00 0.00 179.97 176.78 1r05 h ARG 56 N -0.16 0.20 0.16 0.20 2.47 -0.45 -1.77 114.38 115.03 1r05 h ARG 56 Ca 0.09 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1r05 h ARG 56 Cb 0.38 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1r05 h ARG 56 CO -0.58 0.13 -0.08 0.87 0.56 0.00 0.00 179.97 180.88 1r05 h LYS 57 N 0.21 -0.20 -0.86 0.04 6.56 0.26 -2.83 116.57 119.74 1r05 h LYS 57 Ca 0.43 0.01 0.22 0.00 -1.06 0.00 0.00 60.65 60.26 1r05 h LYS 57 Cb 1.37 0.05 -0.15 0.00 -0.57 0.00 0.00 32.23 32.93 1r05 h LYS 57 CO -0.10 0.11 0.10 0.28 -2.06 0.00 0.00 179.45 177.78 1r05 h VAL 58 N -0.99 0.25 0.54 0.50 2.07 0.14 1.15 116.25 119.91 1r05 h VAL 58 Ca -0.02 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1r05 h VAL 58 Cb 0.41 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1r05 h VAL 58 CO 0.04 0.02 -0.26 -0.74 0.02 0.00 0.00 177.57 176.65 1r05 h HIS 59 N 0.12 -0.67 -0.61 1.57 6.17 -1.42 0.16 115.15 120.46 1r05 h HIS 59 Ca 0.51 -0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.54 1r05 h HIS 59 Cb 1.01 0.22 -0.03 0.00 2.52 0.00 0.00 27.41 31.13 1r05 h HIS 59 CO -0.38 -0.40 0.25 1.79 0.71 0.00 0.00 177.93 179.90 1r05 h THR 60 N -0.75 1.23 0.86 6.26 1.35 -0.78 -2.80 112.91 118.28 1r05 h THR 60 Ca -0.07 -0.71 -0.04 0.00 -0.55 0.00 0.00 66.41 65.03 1r05 h THR 60 Cb 0.57 0.55 0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1r05 h THR 60 CO 0.12 0.28 -0.41 -0.07 -0.25 0.00 0.00 175.52 175.19 1r05 h LEU 61 N 0.85 -0.97 -0.52 3.87 3.38 0.14 -2.79 115.31 119.27 1r05 h LEU 61 Ca 0.20 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1r05 h LEU 61 Cb 0.20 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1r05 h LEU 61 CO -0.02 -0.67 -0.40 1.56 0.09 0.00 0.00 178.44 179.00 1r05 h GLN 62 N -1.20 -0.11 -1.25 1.13 4.20 -0.69 0.71 115.11 117.90 1r05 h GLN 62 Ca -0.12 0.01 0.40 0.00 0.06 0.00 0.00 58.65 59.00 1r05 h GLN 62 Cb 0.88 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.56 1r05 h GLN 62 CO 0.19 -0.07 0.80 1.96 -0.67 0.00 0.00 178.83 181.05 1r05 h GLN 63 N -0.11 0.14 0.00 1.46 1.08 -1.52 2.27 115.11 118.44 1r05 h GLN 63 Ca 0.09 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1r05 h GLN 63 Cb 0.33 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1r05 h GLN 63 CO -0.55 0.09 -0.16 -0.44 -0.95 0.00 0.00 178.83 176.82 1r05 h ASP 64 N 0.14 0.00 0.35 1.46 3.32 0.68 -2.76 116.42 119.61 1r05 h ASP 64 Ca 0.78 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.50 1r05 h ASP 64 Cb 2.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.89 1r05 h ASP 64 CO -0.41 0.16 -1.68 0.40 -1.72 0.00 0.00 179.24 175.99 1r05 h ILE 65 N 0.00 0.97 -0.07 0.35 2.04 0.47 -2.89 117.51 118.39 1r05 h ILE 65 Ca -0.00 -2.65 -0.01 0.00 1.00 0.00 0.00 64.86 63.20 1r05 h ILE 65 Cb 0.80 2.67 -0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1r05 h ILE 65 CO 0.02 0.80 0.02 0.44 0.00 0.00 0.00 178.15 179.43 1r05 h ASP 66 N 0.07 0.12 -0.13 1.72 5.19 -1.01 0.35 116.42 122.72 1r05 h ASP 66 Ca -0.30 -0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 55.85 1r05 h ASP 66 Cb 2.03 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.51 1r05 h ASP 66 CO 0.14 0.33 0.02 0.44 -3.12 0.00 0.00 179.24 177.06 1r05 h ASP 67 N -0.10 0.21 -0.87 6.45 3.32 -1.64 -1.80 116.42 121.99 1r05 h ASP 67 Ca 0.02 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 1r05 h ASP 67 Cb 0.26 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1r05 h ASP 67 CO 0.00 0.41 0.44 -0.07 -1.72 0.00 0.00 179.24 178.30 1r05 h LEU 68 N 0.00 1.12 -0.20 1.55 3.38 -1.47 -1.59 115.31 118.10 1r05 h LEU 68 Ca 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1r05 h LEU 68 Cb 0.29 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1r05 h LEU 68 CO 0.00 0.92 0.12 0.50 0.09 0.00 0.00 178.44 180.07 1r05 h LYS 69 N 1.23 0.27 -0.43 1.13 1.63 -0.11 -2.37 116.57 117.92 1r05 h LYS 69 Ca 0.30 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 1r05 h LYS 69 Cb 0.09 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1r05 h LYS 69 CO -0.04 0.23 0.13 -0.09 -3.45 0.00 0.00 179.45 176.23 1r05 h ARG 70 N 0.23 0.62 0.00 1.90 1.12 -1.05 -2.65 114.38 114.55 1r05 h ARG 70 Ca 0.07 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1r05 h ARG 70 Cb 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 29.88 1r05 h ARG 70 CO -0.01 0.55 0.00 1.04 -3.11 0.00 0.00 179.97 178.44 1r05 n GLN 71 N -4.34 0.00 -0.47 0.20 3.00 -0.62 -2.09 117.38 113.06 1r05 n GLN 71 Ca 0.03 0.00 0.40 0.00 -0.01 0.00 0.00 57.00 57.42 1r05 n GLN 71 Cb 0.18 -0.97 0.62 0.00 0.00 0.00 0.00 30.24 30.07 1r05 n GLN 71 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1r05 n ASN 72 N -0.49 0.00 0.16 1.08 2.85 -1.04 0.13 115.26 117.95 1r05 n ASN 72 Ca 0.00 0.85 -0.06 0.00 -0.11 0.00 0.00 54.58 55.26 1r05 n ASN 72 Cb 0.00 -0.37 -0.03 0.00 1.24 0.00 0.00 39.78 40.62 1r05 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1r05 h ALA 73 N 0.75 -0.96 0.00 5.20 0.00 -1.19 0.18 119.26 123.24 1r05 h ALA 73 Ca 0.71 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.49 1r05 h ALA 73 Cb 3.28 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 21.22 1r05 h ALA 73 CO -0.01 -0.93 -0.22 1.37 0.00 0.00 0.00 179.25 179.45 1r05 h LEU 74 N -0.45 0.00 -0.21 0.00 8.10 -0.24 -2.58 115.31 119.94 1r05 h LEU 74 Ca -0.04 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.92 1r05 h LEU 74 Cb 0.31 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 1r05 h LEU 74 CO 0.07 0.22 0.03 -0.07 -4.11 0.00 0.00 178.44 174.58 1r05 h LEU 75 N 0.00 0.33 -0.72 0.17 3.38 0.12 -2.85 115.31 115.75 1r05 h LEU 75 Ca -0.00 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 1r05 h LEU 75 Cb 0.79 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1r05 h LEU 75 CO 0.03 0.52 -0.50 -0.08 0.09 0.00 0.00 178.44 178.50 1r05 h GLU 76 N 0.13 0.36 0.00 1.13 4.81 -0.54 0.88 114.58 121.35 1r05 h GLU 76 Ca 0.06 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1r05 h GLU 76 Cb 0.33 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1r05 h GLU 76 CO 0.01 0.78 0.00 0.94 -0.73 0.00 0.00 179.01 180.00 1r05 n GLN 77 N -3.96 0.05 -0.07 1.92 -0.06 -0.98 -1.31 117.38 112.96 1r05 n GLN 77 Ca -0.02 0.45 -0.10 0.00 -2.00 0.00 0.00 57.00 55.33 1r05 n GLN 77 Cb 0.55 -1.62 -0.06 0.00 -4.06 0.00 0.00 30.24 25.05 1r05 n GLN 77 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1r05 n GLN 78 N -1.72 0.32 0.21 3.69 -0.06 -0.90 -2.72 117.38 116.20 1r05 n GLN 78 Ca 0.01 0.08 0.14 0.00 -2.00 0.00 0.00 57.00 55.23 1r05 n GLN 78 Cb 0.08 -1.23 0.76 0.00 -4.06 0.00 0.00 30.24 25.79 1r05 n GLN 78 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1r05 h VAL 79 N -0.06 0.00 0.00 1.69 2.07 -0.51 -2.77 116.25 116.67 1r05 h VAL 79 Ca -0.30 -0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 1r05 h VAL 79 Cb 1.44 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1r05 h VAL 79 CO -0.06 0.00 -1.54 -1.14 0.02 0.00 0.00 177.57 174.85 1r05 n ARG 80 N -2.48 0.22 -0.01 1.57 3.00 -0.43 -3.17 116.66 115.36 1r05 n ARG 80 Ca -0.02 0.07 0.23 0.00 -0.00 0.00 0.00 57.85 58.13 1r05 n ARG 80 Cb 0.05 -1.00 0.60 0.00 0.00 0.00 0.00 32.46 32.11 1r05 n ARG 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1r05 h ALA 81 N -0.20 2.41 0.00 5.13 0.00 -1.39 -2.78 119.26 122.44 1r05 h ALA 81 Ca -0.23 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1r05 h ALA 81 Cb 1.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1r05 h ALA 81 CO -0.10 -1.10 -1.30 -0.11 0.00 0.00 0.00 179.25 176.64 1r05 n LEU 82 N -3.43 1.60 -2.50 0.00 0.00 -1.06 -4.71 117.00 106.90 1r05 n LEU 82 Ca 0.13 0.02 -0.17 0.00 0.00 0.00 0.00 56.01 55.99 1r05 n LEU 82 Cb 0.99 -0.17 -0.10 0.00 0.00 0.00 0.00 43.42 44.14 1r05 n LEU 82 CO 0.24 0.33 1.95 1.21 0.00 0.00 0.00 177.39 181.13 1r05 n GLU 83 N -2.97 2.10 0.00 1.96 2.13 -1.06 -3.49 120.64 119.32 1r05 n GLU 83 Ca -0.10 -1.18 0.00 0.00 0.66 0.00 0.00 57.16 56.54 1r05 n GLU 83 Cb 0.59 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1r05 n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r05 n GLY 84 N 2.97 0.00 0.02 8.31 0.00 -1.18 -4.71 105.19 110.60 1r05 n GLY 84 Ca 0.45 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.58 1r05 n GLY 84 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r05 n SER 85 N -2.53 0.56 -0.60 1.61 7.64 -1.24 -4.99 113.62 114.07 1r05 n SER 85 Ca 0.00 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1r05 n SER 85 Cb 0.07 1.19 0.00 0.00 -1.01 0.00 0.00 64.21 64.46 1r05 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1r05 n GLY 86 N 1.37 0.59 3.19 0.23 0.00 -1.23 -5.20 105.19 104.15 1r05 n GLY 86 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1r05 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32