#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r05 s ALA 2 N 0.00 -4.18 -0.75 3.04 0.00 -1.26 -5.07 121.76 113.54 1r05 s ALA 2 Ca 0.00 1.37 0.03 0.00 0.00 0.00 0.00 51.96 53.36 1r05 s ALA 2 Cb 0.00 -2.87 0.33 0.00 0.00 0.00 0.00 23.12 20.57 1r05 s ALA 2 CO 0.00 -2.15 1.23 -0.40 0.00 0.00 0.00 175.76 174.44 1r05 n ASP 3 N 4.96 5.42 -2.64 0.00 5.75 -1.26 -5.03 116.55 123.76 1r05 n ASP 3 Ca 0.09 -3.66 -0.06 0.00 -0.01 0.00 0.00 54.79 51.15 1r05 n ASP 3 Cb 0.58 -0.79 -0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1r05 n ASP 3 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1r05 n LYS 4 N -0.03 1.37 -3.41 0.11 4.81 -1.26 -5.14 118.16 114.61 1r05 n LYS 4 Ca 0.36 -0.79 -0.22 0.00 -0.87 0.00 0.00 58.31 56.79 1r05 n LYS 4 Cb 0.35 0.10 -0.00 0.00 0.02 0.00 0.00 35.03 35.50 1r05 n LYS 4 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1r05 s ARG 5 N -2.50 3.25 -0.09 1.64 1.81 -1.26 -5.10 118.95 116.70 1r05 s ARG 5 Ca 0.06 -0.66 0.04 0.00 -1.72 0.00 0.00 55.73 53.44 1r05 s ARG 5 Cb -0.00 -2.72 -0.01 0.00 -0.45 0.00 0.00 34.95 31.76 1r05 s ARG 5 CO 0.04 0.06 -0.21 0.00 -0.68 0.00 0.00 175.30 174.51 1r05 s ALA 6 N -2.28 2.31 0.00 2.13 0.00 -1.26 -4.89 121.76 117.78 1r05 s ALA 6 Ca 0.43 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1r05 s ALA 6 Cb -0.10 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1r05 s ALA 6 CO 0.34 0.33 0.00 1.58 0.00 0.00 0.00 175.76 178.01 1r05 n HIS 7 N 3.28 0.00 -2.29 0.00 -0.00 -1.26 -5.12 115.22 109.83 1r05 n HIS 7 Ca -0.18 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.28 1r05 n HIS 7 Cb 0.53 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.62 1r05 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1r05 s HIS 8 N 0.00 2.20 0.00 1.57 3.76 -1.26 -4.52 115.29 117.04 1r05 s HIS 8 Ca 0.00 0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1r05 s HIS 8 Cb 0.00 -3.31 0.00 0.00 1.11 0.00 0.00 32.58 30.38 1r05 s HIS 8 CO 0.00 -1.75 0.00 0.09 -0.85 0.00 0.00 174.74 172.23 1r05 n ASN 9 N -3.05 0.00 -1.39 1.40 3.02 -1.26 -4.89 115.26 109.10 1r05 n ASN 9 Ca 0.12 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.85 1r05 n ASN 9 Cb 0.60 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.72 1r05 n ASN 9 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r05 n ALA 10 N 0.34 -3.69 -1.32 5.41 0.00 -1.26 -3.69 120.51 116.30 1r05 n ALA 10 Ca 0.00 0.52 -0.38 0.00 0.00 0.00 0.00 53.44 53.58 1r05 n ALA 10 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 1r05 n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1r05 n LEU 11 N -4.10 7.97 -3.65 0.00 0.00 -1.26 -4.77 117.00 111.19 1r05 n LEU 11 Ca -0.01 -4.15 -0.10 0.00 0.00 0.00 0.00 56.01 51.76 1r05 n LEU 11 Cb 0.67 -1.52 -0.10 0.00 0.00 0.00 0.00 43.42 42.46 1r05 n LEU 11 CO 0.02 1.71 -0.02 -1.61 0.00 0.00 0.00 177.39 177.49 1r05 s GLU 12 N 2.53 0.28 0.00 1.96 2.02 -1.24 -4.88 118.70 119.37 1r05 s GLU 12 Ca 0.63 0.94 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1r05 s GLU 12 Cb 0.16 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.60 1r05 s GLU 12 CO -0.06 -0.28 0.00 0.54 0.02 0.00 0.00 175.26 175.48 1r05 n ARG 13 N 5.38 1.77 -0.29 1.61 1.74 -1.26 -4.93 116.66 120.68 1r05 n ARG 13 Ca -0.08 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.05 1r05 n ARG 13 Cb 0.49 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 32.10 1r05 n ARG 13 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1r05 n LYS 14 N 0.00 2.28 0.00 5.56 2.85 -1.26 -3.45 118.16 124.13 1r05 n LYS 14 Ca 0.00 -1.33 0.00 0.00 -1.05 0.00 0.00 58.31 55.93 1r05 n LYS 14 Cb 0.00 -1.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 1r05 n LYS 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1r05 n ARG 15 N 0.39 3.00 -0.91 -1.58 1.74 -1.26 -4.83 116.66 113.21 1r05 n ARG 15 Ca 0.12 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.22 1r05 n ARG 15 Cb 0.48 -0.64 0.16 0.00 -1.02 0.00 0.00 32.46 31.44 1r05 n ARG 15 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1r05 n ARG 16 N -0.64 1.63 0.11 5.56 1.74 -1.26 -4.80 116.66 119.00 1r05 n ARG 16 Ca 0.00 -3.25 0.00 0.00 -0.77 0.00 0.00 57.85 53.83 1r05 n ARG 16 Cb 0.06 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1r05 n ARG 16 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1r05 n ASP 17 N -0.87 0.26 0.00 0.55 -0.08 -1.22 -4.47 116.55 110.72 1r05 n ASP 17 Ca 0.20 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 53.84 1r05 n ASP 17 Cb 0.78 0.15 0.00 0.00 2.34 0.00 0.00 41.12 44.39 1r05 n ASP 17 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1r05 n HIS 18 N -3.46 0.00 0.00 -0.67 8.25 -1.26 0.14 115.22 118.21 1r05 n HIS 18 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1r05 n HIS 18 Cb 0.01 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.78 1r05 n HIS 18 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1r05 n ILE 19 N -2.36 0.00 -0.21 1.59 2.08 -1.26 -0.08 119.36 119.12 1r05 n ILE 19 Ca 0.00 1.06 0.13 0.00 0.56 0.00 0.00 62.75 64.50 1r05 n ILE 19 Cb 0.00 -1.66 0.25 0.00 -0.75 0.00 0.00 39.64 37.48 1r05 n ILE 19 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1r05 n LYS 20 N -1.12 -0.05 0.36 0.38 5.02 -1.10 0.18 118.16 121.83 1r05 n LYS 20 Ca 0.00 0.93 -0.18 0.00 -2.02 0.00 0.00 58.31 57.04 1r05 n LYS 20 Cb 0.00 -1.53 -0.09 0.00 -0.02 0.00 0.00 35.03 33.39 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 -0.88 -0.84 4.39 1.82 0.42 0.16 116.42 121.49 1r05 h ASP 21 Ca 0.43 0.04 0.01 0.00 -0.39 0.00 0.00 57.03 57.13 1r05 h ASP 21 Cb 1.00 0.25 -0.04 0.00 0.68 0.00 0.00 39.33 41.21 1r05 h ASP 21 CO -0.56 -0.57 0.56 0.28 -1.61 0.00 0.00 179.24 177.33 1r05 h SER 22 N -0.93 0.96 0.08 2.28 0.02 0.56 -2.48 113.55 114.04 1r05 h SER 22 Ca -0.08 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1r05 h SER 22 Cb 0.73 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1r05 h SER 22 CO 0.11 0.70 -0.43 -0.26 -1.14 0.00 0.00 176.83 175.80 1r05 h PHE 23 N 1.14 -1.25 -0.91 3.45 0.04 0.21 2.06 116.94 121.68 1r05 h PHE 23 Ca 0.31 0.03 0.26 0.00 2.80 0.00 0.00 57.97 61.37 1r05 h PHE 23 Cb -0.13 0.54 -0.15 0.00 2.20 0.00 0.00 35.95 38.40 1r05 h PHE 23 CO -0.00 -0.48 0.25 1.25 -0.60 0.00 0.00 178.31 178.73 1r05 h HIS 24 N -0.60 0.37 -0.07 -0.55 2.76 -0.28 2.57 115.15 119.35 1r05 h HIS 24 Ca -0.00 0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.10 1r05 h HIS 24 Cb 0.61 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 1r05 h HIS 24 CO -0.44 -0.27 -0.48 1.03 -1.30 0.00 0.00 177.93 176.47 1r05 h SER 25 N 0.17 0.20 0.03 3.26 0.87 -0.40 -2.29 113.55 115.38 1r05 h SER 25 Ca 0.60 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1r05 h SER 25 Cb 1.26 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1r05 h SER 25 CO -0.70 0.65 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.17 1r05 h LEU 26 N 0.15 -0.03 -1.07 2.23 3.38 1.79 -2.85 115.31 118.91 1r05 h LEU 26 Ca 0.01 -0.70 0.19 0.00 0.09 0.00 0.00 57.88 57.47 1r05 h LEU 26 Cb 0.91 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1r05 h LEU 26 CO 0.07 0.77 0.61 -0.09 0.09 0.00 0.00 178.44 179.89 1r05 h ARG 27 N -0.91 0.72 0.00 1.13 2.43 0.34 1.76 114.38 119.84 1r05 h ARG 27 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1r05 h ARG 27 Cb 0.73 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1r05 h ARG 27 CO 0.01 0.47 0.00 -3.47 -1.51 0.00 0.00 179.97 175.47 1r05 n ASP 28 N -4.73 0.00 0.02 -3.80 2.03 -0.86 -3.50 116.55 105.71 1r05 n ASP 28 Ca 0.23 -0.54 -0.22 0.00 0.52 0.00 0.00 54.79 54.78 1r05 n ASP 28 Cb 0.58 -0.12 -0.14 0.00 -0.72 0.00 0.00 41.12 40.71 1r05 n ASP 28 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1r05 h SER 29 N 0.00 0.46 -2.41 1.67 0.87 0.29 -3.41 113.55 111.02 1r05 h SER 29 Ca 0.00 -0.91 -0.60 0.00 -1.23 0.00 0.00 61.79 59.04 1r05 h SER 29 Cb 0.11 -0.15 -0.42 0.00 -0.44 0.00 0.00 62.40 61.50 1r05 h SER 29 CO 0.00 1.79 -0.59 0.52 -0.53 0.00 0.00 176.83 178.02 1r05 n VAL 30 N -3.63 2.19 1.97 2.23 0.31 -1.10 -4.80 118.33 115.50 1r05 n VAL 30 Ca -0.29 -5.14 0.12 0.00 -0.01 0.00 0.00 64.34 59.02 1r05 n VAL 30 Cb 1.02 -2.12 0.70 0.00 -0.91 0.00 0.00 33.84 32.52 1r05 n VAL 30 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1r05 n PRO 31 N 1.12 0.99 -0.47 5.55 -0.04 -1.26 -3.01 135.00 137.87 1r05 n PRO 31 Ca 0.27 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1r05 n PRO 31 Cb 0.40 -1.37 0.26 0.00 -0.04 0.00 0.00 33.50 32.75 1r05 n PRO 31 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1r05 n SER 32 N -0.87 3.92 -0.27 3.54 7.64 -1.26 -4.67 113.62 121.65 1r05 n SER 32 Ca 0.18 -3.04 0.02 0.00 1.01 0.00 0.00 58.87 57.04 1r05 n SER 32 Cb 0.08 -0.55 0.10 0.00 -1.01 0.00 0.00 64.21 62.83 1r05 n SER 32 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1r05 h LEU 33 N 1.85 -0.68 0.84 -3.43 4.07 -1.95 -3.42 115.31 112.58 1r05 h LEU 33 Ca 0.01 0.23 -0.06 0.00 0.08 0.00 0.00 57.88 58.13 1r05 h LEU 33 Cb 1.47 0.46 -0.02 0.00 1.08 0.00 0.00 40.66 43.65 1r05 h LEU 33 CO 0.24 -0.25 -0.06 0.00 -1.08 0.00 0.00 178.44 177.29 1r05 n GLN 34 N -5.49 -1.23 -0.13 1.13 1.13 -1.26 -4.34 117.38 107.19 1r05 n GLN 34 Ca 0.11 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1r05 n GLN 34 Cb 0.40 -4.06 0.00 0.00 0.11 0.00 0.00 30.24 26.70 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 -0.03 0.22 3.32 1.08 0.00 -1.26 -5.12 105.19 103.40 1r05 n GLY 35 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1r05 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r05 s GLU 36 N 0.00 1.22 -0.10 1.61 0.41 -1.26 -5.01 118.70 115.58 1r05 s GLU 36 Ca 0.00 -1.35 0.03 0.00 -0.41 0.00 0.00 54.97 53.25 1r05 s GLU 36 Cb 0.00 -1.30 0.25 0.00 -1.78 0.00 0.00 34.13 31.29 1r05 s GLU 36 CO 0.00 0.27 1.01 1.17 -0.49 0.00 0.00 175.26 177.23 1r05 n LYS 37 N 0.46 1.99 0.00 1.61 3.00 -1.26 -5.01 118.16 118.95 1r05 n LYS 37 Ca -0.14 -0.99 0.00 0.00 -0.00 0.00 0.00 58.31 57.18 1r05 n LYS 37 Cb 0.56 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1r05 n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1r05 n ALA 38 N 0.13 0.00 0.00 3.14 0.00 -1.26 -5.03 120.51 117.49 1r05 n ALA 38 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1r05 n ALA 38 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1r05 n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1r05 n SER 39 N -3.95 0.00 0.01 0.00 7.64 -1.26 -4.80 113.62 111.26 1r05 n SER 39 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1r05 n SER 39 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1r05 n SER 39 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1r05 h ARG 40 N 0.14 -0.16 -2.36 1.43 0.11 -2.07 -3.24 114.38 108.24 1r05 h ARG 40 Ca 0.00 0.01 -0.62 0.00 0.10 0.00 0.00 59.98 59.47 1r05 h ARG 40 Cb 0.00 0.04 -0.41 0.00 1.11 0.00 0.00 29.97 30.71 1r05 h ARG 40 CO 0.00 -0.11 -0.45 0.00 0.10 0.00 0.00 179.97 179.52 1r05 n ALA 41 N -2.62 4.13 0.03 0.08 0.00 -1.26 -4.89 120.51 115.98 1r05 n ALA 41 Ca -0.02 -4.76 0.00 0.00 0.00 0.00 0.00 53.44 48.67 1r05 n ALA 41 Cb 0.10 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.50 1r05 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r05 n GLN 42 N 1.01 0.02 0.02 0.00 10.64 -1.22 -2.80 117.38 125.04 1r05 n GLN 42 Ca 0.29 0.05 -0.09 0.00 -1.83 0.00 0.00 57.00 55.41 1r05 n GLN 42 Cb 0.40 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 28.21 1r05 n GLN 42 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1r05 h ILE 43 N 0.00 0.78 -0.67 -0.39 5.03 -1.90 -3.21 117.51 117.16 1r05 h ILE 43 Ca 0.00 -1.28 0.26 0.00 -0.12 0.00 0.00 64.86 63.71 1r05 h ILE 43 Cb 0.00 1.38 -0.09 0.00 -3.03 0.00 0.00 36.82 35.08 1r05 h ILE 43 CO 0.00 0.23 0.40 0.18 -0.68 0.00 0.00 178.15 178.28 1r05 n LEU 44 N -4.85 0.17 0.31 1.44 4.77 -1.12 0.31 117.00 118.02 1r05 n LEU 44 Ca -0.06 0.90 -0.14 0.00 -0.03 0.00 0.00 56.01 56.67 1r05 n LEU 44 Cb 0.25 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1r05 n LEU 44 CO 0.21 -0.99 0.39 -0.78 -1.33 0.00 0.00 177.39 174.89 1r05 h ASP 45 N 0.00 -0.69 -0.46 -1.43 1.82 -1.76 -1.63 116.42 112.27 1r05 h ASP 45 Ca 0.50 -0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 57.00 1r05 h ASP 45 Cb 1.45 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.63 1r05 h ASP 45 CO -0.37 -0.31 -0.23 0.11 -1.61 0.00 0.00 179.24 176.83 1r05 h LYS 46 N -1.16 0.98 0.08 0.28 1.79 0.37 -3.13 116.57 115.78 1r05 h LYS 46 Ca -0.08 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1r05 h LYS 46 Cb 0.66 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1r05 h LYS 46 CO 0.14 1.10 -0.14 0.00 -1.08 0.00 0.00 179.45 179.46 1r05 h ALA 47 N 0.89 -0.75 -0.70 3.86 0.00 0.49 0.10 119.26 123.15 1r05 h ALA 47 Ca 0.11 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1r05 h ALA 47 Cb 0.81 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 1r05 h ALA 47 CO 0.07 -0.78 -0.39 1.15 0.00 0.00 0.00 179.25 179.30 1r05 h THR 48 N -0.23 0.10 -0.91 0.00 2.02 -1.37 0.52 112.91 113.03 1r05 h THR 48 Ca -0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.26 1r05 h THR 48 Cb 0.22 0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.66 1r05 h THR 48 CO -0.05 0.00 0.59 1.05 0.37 0.00 0.00 175.52 177.48 1r05 h GLU 49 N -0.14 0.93 -0.07 6.66 4.11 -1.44 -2.42 114.58 122.21 1r05 h GLU 49 Ca 0.24 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.60 1r05 h GLU 49 Cb 0.56 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1r05 h GLU 49 CO -0.76 0.62 -0.01 1.88 0.07 0.00 0.00 179.01 180.81 1r05 h TYR 50 N 0.96 0.15 -0.95 2.06 0.05 0.25 0.18 116.97 119.67 1r05 h TYR 50 Ca 0.41 -0.03 0.23 0.00 0.05 0.00 0.00 58.73 59.40 1r05 h TYR 50 Cb 0.33 -0.04 -0.07 0.00 1.01 0.00 0.00 36.73 37.96 1r05 h TYR 50 CO -0.00 0.43 0.64 0.82 -1.05 0.00 0.00 178.16 179.00 1r05 h ILE 51 N -0.18 0.61 0.00 -2.88 2.04 -0.17 -0.23 117.51 116.70 1r05 h ILE 51 Ca 0.02 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1r05 h ILE 51 Cb 0.38 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1r05 h ILE 51 CO 0.01 0.06 -0.22 1.56 0.00 0.00 0.00 178.15 179.56 1r05 h GLN 52 N 0.33 0.00 -1.53 2.37 1.08 -1.34 -2.86 115.11 113.16 1r05 h GLN 52 Ca 0.50 0.00 0.49 0.00 -1.45 0.00 0.00 58.65 58.19 1r05 h GLN 52 Cb 1.39 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.70 1r05 h GLN 52 CO -0.18 0.00 1.03 -0.92 -0.95 0.00 0.00 178.83 177.81 1r05 h TYR 53 N -0.49 0.34 0.00 2.96 3.20 -0.92 0.68 116.97 122.75 1r05 h TYR 53 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1r05 h TYR 53 Cb 0.22 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1r05 h TYR 53 CO -0.09 -0.17 -0.15 0.52 -1.64 0.00 0.00 178.16 176.63 1r05 h MET 54 N 0.03 0.00 -0.73 1.82 2.86 -1.20 -2.48 114.93 115.23 1r05 h MET 54 Ca 0.87 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.67 1r05 h MET 54 Cb 3.01 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 34.56 1r05 h MET 54 CO -0.30 0.69 0.17 -0.09 1.06 0.00 0.00 176.91 178.44 1r05 h ARG 55 N -1.00 0.25 -0.35 1.72 1.12 -0.68 0.25 114.38 115.69 1r05 h ARG 55 Ca -0.03 -0.02 -0.14 0.00 -1.11 0.00 0.00 59.98 58.68 1r05 h ARG 55 Cb 0.75 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.64 1r05 h ARG 55 CO -0.02 0.17 -0.32 -0.09 -3.11 0.00 0.00 179.97 176.59 1r05 h ARG 56 N 0.26 0.84 0.61 0.20 2.43 -1.30 -2.44 114.38 114.97 1r05 h ARG 56 Ca 0.41 -0.43 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1r05 h ARG 56 Cb 0.70 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1r05 h ARG 56 CO -0.51 1.07 -0.29 0.87 -1.51 0.00 0.00 179.97 179.59 1r05 h LYS 57 N 0.63 -0.79 -0.68 0.20 1.57 -0.57 -2.39 116.57 114.55 1r05 h LYS 57 Ca 0.06 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.05 1r05 h LYS 57 Cb 0.90 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 1r05 h LYS 57 CO 0.08 -0.49 0.47 0.28 -0.57 0.00 0.00 179.45 179.21 1r05 h VAL 58 N -0.90 0.76 0.21 0.50 2.07 -0.65 0.52 116.25 118.76 1r05 h VAL 58 Ca -0.08 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1r05 h VAL 58 Cb 0.66 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1r05 h VAL 58 CO 0.14 0.04 -0.10 -0.74 0.02 0.00 0.00 177.57 176.93 1r05 h HIS 59 N 0.24 -0.26 0.00 1.57 -0.00 -0.99 0.51 115.15 116.23 1r05 h HIS 59 Ca 0.33 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.67 1r05 h HIS 59 Cb 0.95 0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1r05 h HIS 59 CO -0.00 -0.16 -0.11 1.15 -0.00 0.00 0.00 177.93 178.81 1r05 h THR 60 N -0.32 0.78 0.00 6.26 2.02 -1.20 -2.69 112.91 117.76 1r05 h THR 60 Ca -0.03 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1r05 h THR 60 Cb 0.21 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1r05 h THR 60 CO 0.05 0.11 0.00 0.18 0.37 0.00 0.00 175.52 176.22 1r05 n LEU 61 N -3.97 0.32 -0.35 2.58 4.77 0.18 -2.56 117.00 117.96 1r05 n LEU 61 Ca -0.02 0.65 0.05 0.00 -0.03 0.00 0.00 56.01 56.65 1r05 n LEU 61 Cb 0.20 -0.39 0.12 0.00 -2.33 0.00 0.00 43.42 41.02 1r05 n LEU 61 CO 0.32 -0.39 0.65 -0.61 -1.33 0.00 0.00 177.39 176.04 1r05 h GLN 62 N 0.00 -0.00 -0.89 3.23 4.15 -0.93 2.12 115.11 122.79 1r05 h GLN 62 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 58.65 59.65 1r05 h GLN 62 Cb 0.00 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.64 1r05 h GLN 62 CO 0.00 -0.00 0.62 0.37 -1.93 0.00 0.00 178.83 177.88 1r05 h GLN 63 N -0.00 0.20 0.00 1.69 5.75 -1.56 0.64 115.11 121.83 1r05 h GLN 63 Ca 0.45 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.91 1r05 h GLN 63 Cb 0.70 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 1r05 h GLN 63 CO -1.00 0.13 -0.40 -0.44 -2.65 0.00 0.00 178.83 174.47 1r05 h ASP 64 N 0.20 0.00 0.13 -0.69 5.19 0.37 -2.87 116.42 118.75 1r05 h ASP 64 Ca 0.45 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.59 1r05 h ASP 64 Cb 1.43 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.96 1r05 h ASP 64 CO -0.10 0.14 -1.07 0.40 -3.12 0.00 0.00 179.24 175.49 1r05 h ILE 65 N 0.00 1.31 -0.21 0.35 2.04 0.16 -2.67 117.51 118.49 1r05 h ILE 65 Ca -0.01 -2.37 -0.13 0.00 1.00 0.00 0.00 64.86 63.35 1r05 h ILE 65 Cb 1.12 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1r05 h ILE 65 CO 0.02 0.72 -0.38 0.44 0.00 0.00 0.00 178.15 178.95 1r05 h ASP 66 N 0.32 0.70 -0.69 1.72 5.19 -1.28 -0.69 116.42 121.70 1r05 h ASP 66 Ca -0.13 -0.54 0.06 0.00 -0.62 0.00 0.00 57.03 55.80 1r05 h ASP 66 Cb 1.73 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 40.98 1r05 h ASP 66 CO 0.20 1.11 0.40 -0.78 -3.12 0.00 0.00 179.24 177.05 1r05 h ASP 67 N 0.32 0.60 -0.07 6.45 3.58 -1.56 -0.95 116.42 124.79 1r05 h ASP 67 Ca 0.01 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1r05 h ASP 67 Cb 0.98 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.93 1r05 h ASP 67 CO 0.09 0.39 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.72 1r05 h LEU 68 N 0.73 0.16 -0.57 2.28 3.38 -1.41 -2.34 115.31 117.54 1r05 h LEU 68 Ca 0.31 -0.45 0.12 0.00 0.09 0.00 0.00 57.88 57.95 1r05 h LEU 68 Cb 0.18 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.77 1r05 h LEU 68 CO -0.18 0.57 -0.12 0.50 0.09 0.00 0.00 178.44 179.30 1r05 h LYS 69 N -0.25 0.02 -0.33 1.13 3.64 -0.66 0.03 116.57 120.14 1r05 h LYS 69 Ca 0.01 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1r05 h LYS 69 Cb 0.52 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1r05 h LYS 69 CO 0.01 0.01 0.20 0.00 -2.27 0.00 0.00 179.45 177.40 1r05 h ARG 70 N 0.02 0.39 0.00 1.90 3.08 -1.15 -2.92 114.38 115.70 1r05 h ARG 70 Ca 0.28 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1r05 h ARG 70 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1r05 h ARG 70 CO -0.58 0.26 0.00 1.04 -1.07 0.00 0.00 179.97 179.62 1r05 n GLN 71 N -4.89 0.00 -0.36 0.04 6.02 -0.03 -1.03 117.38 117.13 1r05 n GLN 71 Ca -0.00 0.24 0.34 0.00 -0.01 0.00 0.00 57.00 57.57 1r05 n GLN 71 Cb 0.05 -0.89 0.52 0.00 1.02 0.00 0.00 30.24 30.94 1r05 n GLN 71 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1r05 n ASN 72 N -0.64 0.00 -0.03 1.08 0.23 -1.05 0.26 115.26 115.10 1r05 n ASN 72 Ca 0.00 0.78 -0.04 0.00 -0.53 0.00 0.00 54.58 54.79 1r05 n ASN 72 Cb 0.00 -0.32 0.18 0.00 -2.08 0.00 0.00 39.78 37.56 1r05 n ASN 72 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1r05 h ALA 73 N 0.63 1.09 0.05 -2.53 0.00 -0.88 -0.88 119.26 116.74 1r05 h ALA 73 Ca 0.60 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 1r05 h ALA 73 Cb 3.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 20.64 1r05 h ALA 73 CO -0.01 0.56 -1.01 -0.07 0.00 0.00 0.00 179.25 178.73 1r05 h LEU 74 N 0.55 0.15 -2.36 0.00 4.07 0.40 -2.92 115.31 115.21 1r05 h LEU 74 Ca 0.09 -0.77 -0.01 0.00 0.08 0.00 0.00 57.88 57.28 1r05 h LEU 74 Cb 0.60 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 1r05 h LEU 74 CO 0.04 1.42 -0.03 -0.07 -1.08 0.00 0.00 178.44 178.72 1r05 h LEU 75 N -0.72 0.00 0.03 1.67 4.07 -1.45 -2.08 115.31 116.83 1r05 h LEU 75 Ca -0.24 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.66 1r05 h LEU 75 Cb 1.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.15 1r05 h LEU 75 CO -0.05 0.03 -0.26 -0.08 -1.08 0.00 0.00 178.44 177.00 1r05 h GLU 76 N 0.00 0.06 0.00 1.13 4.57 -1.26 -0.40 114.58 118.68 1r05 h GLU 76 Ca -0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1r05 h GLU 76 Cb 0.10 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1r05 h GLU 76 CO 0.00 1.05 0.00 0.00 -1.18 0.00 0.00 179.01 178.88 1r05 n GLN 77 N -4.50 0.11 -0.10 1.92 10.64 -1.06 -2.18 117.38 122.22 1r05 n GLN 77 Ca -0.13 0.22 -0.15 0.00 -1.83 0.00 0.00 57.00 55.11 1r05 n GLN 77 Cb 0.56 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.36 1r05 n GLN 77 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1r05 n GLN 78 N -1.34 0.47 -0.30 2.61 -0.06 -0.81 -2.82 117.38 115.14 1r05 n GLN 78 Ca 0.04 0.13 0.05 0.00 -2.00 0.00 0.00 57.00 55.23 1r05 n GLN 78 Cb 0.10 -1.35 0.20 0.00 -4.06 0.00 0.00 30.24 25.14 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 -0.18 0.81 0.07 1.69 2.07 -0.79 -2.45 116.25 117.46 1r05 h VAL 79 Ca -0.45 -0.24 -0.33 0.00 0.82 0.00 0.00 66.70 66.50 1r05 h VAL 79 Cb 1.61 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1r05 h VAL 79 CO -0.13 0.13 -1.82 0.08 0.02 0.00 0.00 177.57 175.85 1r05 h ARG 80 N 0.71 0.15 -1.08 1.57 0.11 -1.65 -2.89 114.38 111.30 1r05 h ARG 80 Ca 0.44 -0.26 0.31 0.00 0.10 0.00 0.00 59.98 60.56 1r05 h ARG 80 Cb 0.53 0.10 -0.05 0.00 1.11 0.00 0.00 29.97 31.66 1r05 h ARG 80 CO -0.31 0.91 0.77 0.00 0.10 0.00 0.00 179.97 181.43 1r05 h ALA 81 N 0.51 2.91 -0.04 0.08 0.00 -1.28 -0.12 119.26 121.33 1r05 h ALA 81 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1r05 h ALA 81 Cb 2.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1r05 h ALA 81 CO 0.09 -1.24 0.00 1.47 0.00 0.00 0.00 179.25 179.58 1r05 n LEU 82 N -4.27 1.76 -4.55 0.00 -0.00 -1.02 -4.93 117.00 103.99 1r05 n LEU 82 Ca 0.23 -1.60 -0.13 0.00 -0.00 0.00 0.00 56.01 54.51 1r05 n LEU 82 Cb 1.11 -0.02 -0.11 0.00 -0.00 0.00 0.00 43.42 44.39 1r05 n LEU 82 CO 0.38 0.43 1.06 -0.62 -0.00 0.00 0.00 177.39 178.64 1r05 n GLU 83 N -0.15 0.10 -3.94 1.47 -0.58 -0.06 -4.73 120.64 112.76 1r05 n GLU 83 Ca 0.02 -1.60 -0.30 0.00 -0.42 0.00 0.00 57.16 54.86 1r05 n GLU 83 Cb 0.19 -3.80 -0.14 0.00 -0.57 0.00 0.00 31.44 27.12 1r05 n GLU 83 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1r05 s GLY 84 N 8.21 2.41 -0.93 0.62 0.00 -1.26 -4.72 107.32 111.65 1r05 s GLY 84 Ca 0.78 -3.24 -0.02 0.00 0.00 0.00 0.00 44.72 42.25 1r05 s GLY 84 CO 0.18 1.04 0.20 -1.14 0.00 0.00 0.00 173.10 173.38 1r05 n SER 85 N 3.13 -3.98 -3.49 1.64 3.41 -1.26 -3.77 113.62 109.30 1r05 n SER 85 Ca 0.05 -0.10 -0.22 0.00 -0.26 0.00 0.00 58.87 58.35 1r05 n SER 85 Cb 0.32 -3.00 0.01 0.00 -0.26 0.00 0.00 64.21 61.28 1r05 n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r05 n GLY 86 N -1.11 -0.96 0.00 5.00 0.00 -1.26 -5.30 105.19 101.55 1r05 n GLY 86 Ca -0.09 0.77 0.09 0.00 0.00 0.00 0.00 46.02 46.79 1r05 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32