#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v55 s SER 2 N 0.00 -0.17 0.00 0.00 1.04 -1.26 -5.18 113.70 108.13 1v55 s SER 2 Ca 0.00 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1v55 s SER 2 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1v55 s SER 2 CO 0.00 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1v55 n GLY 3 N 0.25 1.13 0.00 7.32 0.00 -1.26 -5.20 105.19 107.43 1v55 n GLY 3 Ca -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1v55 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v55 n GLY 4 N 0.00 5.26 0.01 -0.02 0.00 -1.26 -5.00 105.19 104.19 1v55 n GLY 4 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1v55 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v55 n GLY 5 N 3.79 0.33 3.56 -0.02 0.00 -1.26 -5.07 105.19 106.53 1v55 n GLY 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1v55 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1v55 s VAL 6 N -2.00 4.95 0.94 1.61 1.01 -1.26 -5.09 120.40 120.56 1v55 s VAL 6 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 1v55 s VAL 6 Cb 0.00 -3.32 0.16 0.00 0.00 0.00 0.00 36.38 33.21 1v55 s VAL 6 CO 0.00 0.32 1.11 -2.16 0.00 0.00 0.00 175.10 174.36 1v55 s PRO 7 N 1.45 0.84 0.37 2.72 0.04 -1.26 -5.05 135.00 134.10 1v55 s PRO 7 Ca 0.06 1.26 0.08 0.00 0.04 0.00 0.00 61.00 62.44 1v55 s PRO 7 Cb -0.15 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1v55 s PRO 7 CO 0.07 -2.66 0.21 0.95 0.04 0.00 0.00 177.00 175.61 1v55 s THR 8 N -2.69 2.89 0.21 1.26 -4.23 -1.26 -4.98 115.64 106.84 1v55 s THR 8 Ca 0.66 -1.59 -0.09 0.00 -1.18 0.00 0.00 61.69 59.48 1v55 s THR 8 Cb -0.22 -3.01 0.15 0.00 1.34 0.00 0.00 72.50 70.76 1v55 s THR 8 CO 0.59 -0.11 1.82 0.44 -0.54 0.00 0.00 174.62 176.82 1v55 h ASP 9 N 1.39 0.96 -0.71 3.99 3.32 -1.96 0.16 116.42 123.57 1v55 h ASP 9 Ca -0.43 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 56.57 1v55 h ASP 9 Cb 1.25 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1v55 h ASP 9 CO 0.63 0.79 0.47 -0.08 -1.72 0.00 0.00 179.24 179.32 1v55 h GLU 10 N 1.06 0.77 0.05 3.56 4.57 -1.95 0.42 114.58 123.05 1v55 h GLU 10 Ca 0.27 -0.05 -0.29 0.00 -1.18 0.00 0.00 59.36 58.12 1v55 h GLU 10 Cb 0.04 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1v55 h GLU 10 CO -0.04 0.51 -1.53 0.93 -1.18 0.00 0.00 179.01 177.69 1v55 h GLU 11 N 0.79 0.10 0.00 1.92 5.08 -1.79 -3.42 114.58 117.26 1v55 h GLU 11 Ca 0.29 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1v55 h GLU 11 Cb 0.16 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1v55 h GLU 11 CO -0.09 0.85 -0.77 0.94 -1.00 0.00 0.00 179.01 178.94 1v55 n GLN 12 N -3.27 2.32 -1.75 2.33 7.27 0.51 -4.96 117.38 119.83 1v55 n GLN 12 Ca -0.15 -0.02 -0.40 0.00 0.07 0.00 0.00 57.00 56.51 1v55 n GLN 12 Cb 1.03 -0.91 0.03 0.00 2.41 0.00 0.00 30.24 32.79 1v55 n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v55 n ALA 13 N -1.41 1.83 -3.75 1.69 0.00 0.14 -5.00 120.51 114.02 1v55 n ALA 13 Ca -0.00 0.21 -0.14 0.00 0.00 0.00 0.00 53.44 53.51 1v55 n ALA 13 Cb 0.07 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 1v55 n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1v55 n THR 14 N -0.50 0.00 -1.73 0.00 5.66 -1.26 -4.67 114.28 111.78 1v55 n THR 14 Ca 0.07 -1.38 0.00 0.00 -3.05 0.00 0.00 64.05 59.70 1v55 n THR 14 Cb 0.42 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 1v55 n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1v55 n GLY 15 N -0.25 1.69 0.28 1.09 0.00 -1.26 -1.50 105.19 105.24 1v55 n GLY 15 Ca 0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 1v55 n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1v55 h LEU 16 N 0.00 0.55 -0.47 0.99 5.85 -1.99 -2.42 115.31 117.82 1v55 h LEU 16 Ca 0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1v55 h LEU 16 Cb 0.00 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1v55 h LEU 16 CO 0.00 0.59 0.22 -0.08 -0.34 0.00 0.00 178.44 178.83 1v55 h GLU 17 N 0.57 0.43 -0.67 1.25 4.81 -1.91 -0.93 114.58 118.13 1v55 h GLU 17 Ca 0.13 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1v55 h GLU 17 Cb 0.30 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1v55 h GLU 17 CO 0.00 0.28 0.30 -0.09 -0.73 0.00 0.00 179.01 178.78 1v55 h ARG 18 N 0.44 0.97 -0.24 1.92 2.43 -0.80 -1.49 114.38 117.62 1v55 h ARG 18 Ca 0.21 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1v55 h ARG 18 Cb 0.13 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1v55 h ARG 18 CO -0.16 0.79 0.11 0.93 -1.51 0.00 0.00 179.97 180.14 1v55 h GLU 19 N 0.93 0.35 -0.76 0.20 5.08 -1.06 0.16 114.58 119.48 1v55 h GLU 19 Ca 0.23 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1v55 h GLU 19 Cb 0.15 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1v55 h GLU 19 CO -0.03 0.36 0.49 0.28 -1.00 0.00 0.00 179.01 179.11 1v55 h VAL 20 N 0.26 1.13 0.04 3.13 2.07 -1.06 -0.48 116.25 121.33 1v55 h VAL 20 Ca 0.08 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1v55 h VAL 20 Cb 0.13 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1v55 h VAL 20 CO -0.01 0.17 -0.02 -0.03 0.02 0.00 0.00 177.57 177.71 1v55 h MET 21 N 0.96 -0.05 -0.43 1.57 1.85 -0.70 -0.64 114.93 117.49 1v55 h MET 21 Ca 0.30 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.34 1v55 h MET 21 Cb -0.01 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.01 1v55 h MET 21 CO -0.10 0.04 0.07 -0.07 -0.40 0.00 0.00 176.91 176.45 1v55 h LEU 22 N -0.13 0.67 -0.73 3.39 3.38 -0.53 -2.56 115.31 118.81 1v55 h LEU 22 Ca -0.01 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1v55 h LEU 22 Cb 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1v55 h LEU 22 CO 0.01 0.76 0.22 0.00 0.09 0.00 0.00 178.44 179.52 1v55 h ALA 23 N 0.94 0.96 -0.46 1.53 0.00 -1.02 -2.46 119.26 118.74 1v55 h ALA 23 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1v55 h ALA 23 Cb 0.37 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1v55 h ALA 23 CO 0.01 0.65 0.23 0.00 0.00 0.00 0.00 179.25 180.13 1v55 h ALA 24 N 1.11 1.54 -0.59 0.00 0.00 -1.02 -0.01 119.26 120.29 1v55 h ALA 24 Ca 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1v55 h ALA 24 Cb 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1v55 h ALA 24 CO -0.01 0.38 0.23 -0.09 0.00 0.00 0.00 179.25 179.76 1v55 h ARG 25 N 0.64 0.86 -0.04 0.00 2.43 -1.02 -1.80 114.38 115.45 1v55 h ARG 25 Ca 0.16 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1v55 h ARG 25 Cb 0.06 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1v55 h ARG 25 CO -0.02 0.71 0.00 1.63 -1.51 0.00 0.00 179.97 180.77 1v55 n LYS 26 N -4.32 1.42 -1.03 0.20 5.02 -0.62 -4.91 118.16 113.92 1v55 n LYS 26 Ca 0.05 -0.62 -0.01 0.00 -2.02 0.00 0.00 58.31 55.71 1v55 n LYS 26 Cb 0.17 -1.45 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1v55 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v55 n GLY 27 N 1.07 0.49 3.91 0.72 0.00 -0.68 -5.04 105.19 105.67 1v55 n GLY 27 Ca 0.19 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1v55 n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v55 s GLN 28 N -1.67 3.28 -0.46 1.61 -0.21 -0.11 -4.99 119.66 117.10 1v55 s GLN 28 Ca 0.00 -0.75 0.08 0.00 0.02 0.00 0.00 55.36 54.72 1v55 s GLN 28 Cb 0.00 -2.84 0.28 0.00 1.00 0.00 0.00 33.01 31.45 1v55 s GLN 28 CO 0.00 0.48 0.66 -3.47 -2.12 0.00 0.00 175.29 170.83 1v55 n ASP 29 N -0.81 1.49 0.25 5.90 2.03 -1.26 -3.62 116.55 120.53 1v55 n ASP 29 Ca -0.08 -3.02 0.12 0.00 0.52 0.00 0.00 54.79 52.33 1v55 n ASP 29 Cb 0.55 -0.63 0.67 0.00 -0.72 0.00 0.00 41.12 40.98 1v55 n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1v55 h PRO 30 N 3.72 0.00 -0.63 -0.67 0.13 -1.96 -3.04 132.00 129.55 1v55 h PRO 30 Ca 0.11 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.04 1v55 h PRO 30 Cb 0.82 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.83 1v55 h PRO 30 CO 0.58 0.15 0.21 0.66 -0.23 0.00 0.00 178.00 179.37 1v55 n TYR 31 N -3.66 2.08 -4.02 1.56 4.02 -1.26 -4.98 117.16 110.90 1v55 n TYR 31 Ca -0.02 -1.25 -0.28 0.00 -0.01 0.00 0.00 57.90 56.34 1v55 n TYR 31 Cb 0.27 -0.62 -0.02 0.00 -0.02 0.00 0.00 39.34 38.94 1v55 n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1v55 n ASN 32 N -0.41 -0.91 0.13 7.72 3.02 -1.15 -4.89 115.26 118.77 1v55 n ASN 32 Ca 0.38 -1.01 0.05 0.00 -0.03 0.00 0.00 54.58 53.96 1v55 n ASN 32 Cb 1.29 -2.95 0.02 0.00 -0.61 0.00 0.00 39.78 37.53 1v55 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1v55 h ILE 33 N -1.78 0.52 -2.77 2.41 2.04 -1.94 -3.46 117.51 112.54 1v55 h ILE 33 Ca -0.62 -1.80 -0.58 0.00 1.00 0.00 0.00 64.86 62.85 1v55 h ILE 33 Cb 1.38 2.15 -0.08 0.00 -0.74 0.00 0.00 36.82 39.52 1v55 h ILE 33 CO 0.66 0.30 -0.60 -0.76 0.00 0.00 0.00 178.15 177.75 1v55 s LEU 34 N -6.13 3.63 -0.19 1.44 1.43 -1.26 -5.08 118.68 112.52 1v55 s LEU 34 Ca 0.02 -0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 52.68 1v55 s LEU 34 Cb 0.08 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 1v55 s LEU 34 CO 0.75 0.08 0.71 0.00 0.23 0.00 0.00 176.35 178.12 1v55 s ALA 35 N -1.74 3.54 0.43 4.21 0.00 -1.26 -5.03 121.76 121.91 1v55 s ALA 35 Ca 0.30 -0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.85 1v55 s ALA 35 Cb -0.10 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 1v55 s ALA 35 CO 0.22 -0.60 1.26 -1.25 0.00 0.00 0.00 175.76 175.39 1v55 s PRO 36 N 2.03 3.82 0.08 0.00 0.04 -1.26 -5.00 135.00 134.72 1v55 s PRO 36 Ca 0.32 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.17 1v55 s PRO 36 Cb -0.16 -2.61 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 1v55 s PRO 36 CO 0.11 -0.58 0.73 0.15 0.04 0.00 0.00 177.00 177.45 1v55 s LYS 37 N -2.43 4.47 0.45 4.56 3.01 -1.26 -5.06 119.74 123.48 1v55 s LYS 37 Ca 0.60 1.02 -0.22 0.00 -1.01 0.00 0.00 55.97 56.37 1v55 s LYS 37 Cb -0.35 -3.31 -0.09 0.00 -1.01 0.00 0.00 37.83 33.06 1v55 s LYS 37 CO 0.44 0.43 1.02 0.00 0.51 0.00 0.00 175.35 177.75 1v55 s ALA 38 N -0.54 2.97 0.51 5.17 0.00 -1.26 -5.01 121.76 123.61 1v55 s ALA 38 Ca 0.36 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1v55 s ALA 38 Cb -0.21 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1v55 s ALA 38 CO 0.23 -0.18 0.00 0.25 0.00 0.00 0.00 175.76 176.06 1v55 n THR 39 N -0.61 0.00 0.43 0.00 -2.24 -1.26 -4.96 114.28 105.64 1v55 n THR 39 Ca 0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1v55 n THR 39 Cb 0.52 -1.51 0.49 0.00 -2.10 0.00 0.00 70.33 67.73 1v55 n THR 39 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1v55 h SER 40 N 0.00 0.00 -0.41 3.42 4.64 -1.92 -3.47 113.55 115.80 1v55 h SER 40 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1v55 h SER 40 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1v55 h SER 40 CO 0.00 0.00 -0.16 0.61 -0.87 0.00 0.00 176.83 176.41 1v55 n GLY 41 N 0.29 1.01 3.92 -0.77 0.00 -0.75 -4.93 105.19 103.96 1v55 n GLY 41 Ca 0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1v55 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v55 s THR 42 N -2.18 2.02 0.29 2.61 -4.23 -1.12 -0.32 115.64 112.71 1v55 s THR 42 Ca 0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.47 1v55 s THR 42 Cb 0.00 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 71.06 1v55 s THR 42 CO 0.00 0.00 1.89 0.50 -0.54 0.00 0.00 174.62 176.47 1v55 h LYS 43 N -1.38 0.91 0.00 3.99 3.64 -1.96 -1.98 116.57 119.80 1v55 h LYS 43 Ca -0.45 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 58.65 1v55 h LYS 43 Cb 1.27 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1v55 h LYS 43 CO 0.48 0.72 -0.75 0.93 -2.27 0.00 0.00 179.45 178.55 1v55 h GLU 44 N 0.90 0.00 -2.16 1.90 3.07 -2.02 -3.37 114.58 112.91 1v55 h GLU 44 Ca 0.22 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.51 1v55 h GLU 44 Cb 0.12 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.62 1v55 h GLU 44 CO -0.03 0.75 -0.82 -3.47 -1.40 0.00 0.00 179.01 174.05 1v55 n ASP 45 N -3.29 2.85 -4.79 1.42 4.64 -1.00 -5.11 116.55 111.27 1v55 n ASP 45 Ca 0.01 -3.32 -0.32 0.00 -1.38 0.00 0.00 54.79 49.78 1v55 n ASP 45 Cb 0.84 -0.62 0.06 0.00 -1.04 0.00 0.00 41.12 40.37 1v55 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1v55 s PRO 46 N -2.62 2.68 -0.03 -0.67 0.04 -0.78 -1.81 135.00 131.81 1v55 s PRO 46 Ca 0.42 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1v55 s PRO 46 Cb 0.24 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 1v55 s PRO 46 CO -0.09 -1.32 1.29 -0.80 0.04 0.00 0.00 177.00 176.13 1v55 s ASN 47 N -3.30 6.96 -0.34 6.66 0.01 -0.13 -4.80 114.94 120.00 1v55 s ASN 47 Ca 0.62 1.95 -0.24 0.00 -0.71 0.00 0.00 52.86 54.47 1v55 s ASN 47 Cb -0.17 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.94 1v55 s ASN 47 CO 0.51 -0.65 0.81 -0.76 -1.51 0.00 0.00 177.10 175.50 1v55 s LEU 48 N 2.31 4.09 -0.41 0.60 1.02 -1.26 -1.08 118.68 123.95 1v55 s LEU 48 Ca 0.59 0.51 -0.12 0.00 0.02 0.00 0.00 54.13 55.13 1v55 s LEU 48 Cb -0.28 -3.09 0.05 0.00 0.02 0.00 0.00 46.19 42.89 1v55 s LEU 48 CO 0.24 -0.72 0.28 -0.69 0.02 0.00 0.00 176.35 175.48 1v55 s VAL 49 N 3.12 4.77 0.57 -1.59 1.01 0.01 -4.96 120.40 123.33 1v55 s VAL 49 Ca 0.33 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1v55 s VAL 49 Cb -0.13 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1v55 s VAL 49 CO 0.16 -0.39 1.12 -2.84 0.00 0.00 0.00 175.10 173.15 1v55 s PRO 50 N 1.57 3.24 -0.02 2.72 0.02 -1.26 -0.97 135.00 140.30 1v55 s PRO 50 Ca 0.03 1.52 -0.29 0.00 0.02 0.00 0.00 61.00 62.28 1v55 s PRO 50 Cb -0.21 -2.00 0.07 0.00 0.02 0.00 0.00 34.50 32.38 1v55 s PRO 50 CO 0.06 -0.92 0.64 0.45 -0.33 0.00 0.00 177.00 176.91 1v55 s SER 51 N -2.03 -0.61 0.00 2.53 0.15 -1.10 -4.84 113.70 107.79 1v55 s SER 51 Ca 0.71 0.58 0.25 0.00 0.70 0.00 0.00 55.95 58.19 1v55 s SER 51 Cb -0.22 0.53 0.52 0.00 -1.71 0.00 0.00 66.02 65.14 1v55 s SER 51 CO 0.31 -0.65 1.42 2.30 1.20 0.00 0.00 173.24 177.82 1v55 n ILE 52 N 0.76 0.00 -3.02 6.45 -5.35 -1.26 0.24 119.36 117.18 1v55 n ILE 52 Ca -0.19 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1v55 n ILE 52 Cb 0.58 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1v55 n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1v55 n THR 53 N -0.13 0.00 0.34 7.28 -2.24 -1.26 -4.40 114.28 113.86 1v55 n THR 53 Ca 0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 1v55 n THR 53 Cb 0.41 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 68.90 1v55 n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1v55 n ASN 54 N -0.04 3.23 -3.56 3.42 2.04 -1.26 -4.52 115.26 114.56 1v55 n ASN 54 Ca 0.00 -1.96 -0.16 0.00 -0.44 0.00 0.00 54.58 52.02 1v55 n ASN 54 Cb 0.00 -0.28 -0.06 0.00 -2.53 0.00 0.00 39.78 36.91 1v55 n ASN 54 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1v55 s LYS 55 N -1.44 0.97 -0.08 -3.83 -2.85 -1.26 -0.59 119.74 110.66 1v55 s LYS 55 Ca 0.39 0.54 -0.09 0.00 -1.00 0.00 0.00 55.97 55.82 1v55 s LYS 55 Cb 0.22 0.46 0.02 0.00 -2.06 0.00 0.00 37.83 36.48 1v55 s LYS 55 CO 0.30 -0.24 0.24 0.50 0.10 0.00 0.00 175.35 176.25 1v55 s ARG 56 N -0.59 0.31 0.08 1.78 3.52 -0.39 -4.93 118.95 118.73 1v55 s ARG 56 Ca -0.07 0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.49 1v55 s ARG 56 Cb -0.02 0.15 -0.06 0.00 -1.56 0.00 0.00 34.95 33.46 1v55 s ARG 56 CO 0.07 -0.05 1.19 0.42 -0.81 0.00 0.00 175.30 176.12 1v55 s ILE 57 N -0.04 3.98 -0.07 4.11 1.01 -1.26 0.16 121.20 129.09 1v55 s ILE 57 Ca -0.02 1.46 0.01 0.00 0.00 0.00 0.00 60.65 62.10 1v55 s ILE 57 Cb -0.02 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1v55 s ILE 57 CO 0.01 0.13 -0.09 -0.69 0.00 0.00 0.00 174.94 174.30 1v55 s VAL 58 N 0.87 3.54 -0.17 2.92 1.01 0.89 -4.91 120.40 124.55 1v55 s VAL 58 Ca 0.58 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1v55 s VAL 58 Cb -0.30 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1v55 s VAL 58 CO 0.30 0.59 -0.16 -0.83 0.00 0.00 0.00 175.10 175.00 1v55 s GLY 59 N -0.65 1.45 -0.24 4.51 0.00 -1.26 -1.35 107.32 109.78 1v55 s GLY 59 Ca 0.10 -1.13 -0.05 0.00 0.00 0.00 0.00 44.72 43.64 1v55 s GLY 59 CO 0.02 0.17 0.00 0.00 0.00 0.00 0.00 173.10 173.28 1v55 s ILE 61 N 1.51 5.49 0.23 0.00 1.01 -1.26 -1.46 121.20 126.72 1v55 s ILE 61 Ca 0.05 -2.64 -0.13 0.00 0.00 0.00 0.00 60.65 57.93 1v55 s ILE 61 Cb -0.15 -4.64 0.30 0.00 0.01 0.00 0.00 42.46 37.98 1v55 s ILE 61 CO -0.01 -1.26 1.59 0.00 0.00 0.00 0.00 174.94 175.27 1v55 s GLU 63 N -6.19 1.10 0.34 0.00 2.02 -1.26 -5.06 118.70 109.65 1v55 s GLU 63 Ca -0.15 -1.04 -0.29 0.00 0.02 0.00 0.00 54.97 53.51 1v55 s GLU 63 Cb 0.22 -1.26 -0.12 0.00 0.10 0.00 0.00 34.13 33.07 1v55 s GLU 63 CO 0.74 0.30 1.48 -1.91 0.02 0.00 0.00 175.26 175.89 1v55 n GLU 64 N 1.34 2.55 -0.97 1.61 2.13 -1.26 -1.92 120.64 124.11 1v55 n GLU 64 Ca -0.19 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1v55 n GLU 64 Cb 0.54 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.64 1v55 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1v55 n ASP 65 N 1.06 -1.06 -4.76 4.31 10.43 -1.26 -5.01 116.55 120.26 1v55 n ASP 65 Ca 0.04 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.99 1v55 n ASP 65 Cb 0.37 -0.38 -0.02 0.00 1.84 0.00 0.00 41.12 42.93 1v55 n ASP 65 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1v55 s ASN 66 N -2.62 6.66 0.11 -2.24 -0.87 -0.81 -4.91 114.94 110.26 1v55 s ASN 66 Ca 0.00 2.75 0.21 0.00 -1.57 0.00 0.00 52.86 54.25 1v55 s ASN 66 Cb 0.00 -2.65 -0.11 0.00 -0.02 0.00 0.00 41.25 38.48 1v55 s ASN 66 CO 0.00 -0.64 0.85 -1.54 -2.57 0.00 0.00 177.10 173.20 1v55 n SER 67 N 1.14 0.66 -4.69 -1.22 3.41 -1.26 -4.85 113.62 106.82 1v55 n SER 67 Ca 0.02 0.27 -0.40 0.00 -0.26 0.00 0.00 58.87 58.50 1v55 n SER 67 Cb 0.41 0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 64.99 1v55 n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1v55 s THR 68 N -3.25 5.02 -0.16 6.66 2.01 -1.26 -5.05 115.64 119.61 1v55 s THR 68 Ca -0.03 1.35 -0.06 0.00 0.31 0.00 0.00 61.69 63.27 1v55 s THR 68 Cb 0.10 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1v55 s THR 68 CO 0.82 0.17 0.04 -0.69 -0.69 0.00 0.00 174.62 174.27 1v55 s VAL 69 N 1.41 4.61 -0.32 3.82 1.01 -1.26 -4.71 120.40 124.97 1v55 s VAL 69 Ca 0.34 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 1v55 s VAL 69 Cb -0.17 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1v55 s VAL 69 CO 0.14 0.50 0.47 -0.63 0.00 0.00 0.00 175.10 175.58 1v55 s ILE 70 N 0.05 5.08 -0.10 2.22 -1.09 -0.53 -4.87 121.20 121.95 1v55 s ILE 70 Ca 0.04 0.44 -0.03 0.00 -2.23 0.00 0.00 60.65 58.88 1v55 s ILE 70 Cb -0.12 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1v55 s ILE 70 CO 0.01 -0.07 0.02 0.26 -1.23 0.00 0.00 174.94 173.93 1v55 s TRP 71 N 2.27 3.21 -0.09 3.97 0.52 -1.26 0.74 118.94 128.30 1v55 s TRP 71 Ca 0.17 0.19 -0.30 0.00 0.02 0.00 0.00 56.10 56.19 1v55 s TRP 71 Cb -0.16 -1.84 0.10 0.00 -1.15 0.00 0.00 33.47 30.43 1v55 s TRP 71 CO 0.12 0.44 0.87 -0.59 0.02 0.00 0.00 176.95 177.81 1v55 s PHE 72 N -0.72 -0.46 -0.01 -1.98 -0.12 -0.46 -4.99 117.98 109.24 1v55 s PHE 72 Ca 0.11 0.70 -0.30 0.00 -0.05 0.00 0.00 56.93 57.40 1v55 s PHE 72 Cb -0.12 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1v55 s PHE 72 CO 0.02 -0.47 1.00 -1.58 -0.05 0.00 0.00 175.22 174.14 1v55 s TRP 73 N -1.56 3.61 -0.28 3.49 0.52 -1.26 -0.08 118.94 123.39 1v55 s TRP 73 Ca -0.03 1.65 -0.11 0.00 0.02 0.00 0.00 56.10 57.62 1v55 s TRP 73 Cb -0.00 -3.16 -0.05 0.00 -1.15 0.00 0.00 33.47 29.11 1v55 s TRP 73 CO 0.02 -0.16 0.19 -1.17 0.02 0.00 0.00 176.95 175.86 1v55 s LEU 74 N 1.18 4.02 0.20 2.99 2.96 0.12 -4.92 118.68 125.24 1v55 s LEU 74 Ca 0.52 -0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1v55 s LEU 74 Cb -0.21 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 1v55 s LEU 74 CO 0.27 -0.05 0.38 -1.00 -1.32 0.00 0.00 176.35 174.62 1v55 s HIS 75 N 1.76 3.48 0.34 5.38 3.76 -1.26 -1.26 115.29 127.49 1v55 s HIS 75 Ca 0.07 0.27 -0.29 0.00 -0.15 0.00 0.00 55.06 54.97 1v55 s HIS 75 Cb -0.16 -1.80 -0.11 0.00 1.11 0.00 0.00 32.58 31.62 1v55 s HIS 75 CO 0.11 0.39 1.53 1.17 -0.85 0.00 0.00 174.74 177.09 1v55 n LYS 76 N -0.77 2.69 0.00 1.40 4.81 0.24 -4.48 118.16 122.04 1v55 n LYS 76 Ca -0.05 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1v55 n LYS 76 Cb 0.54 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1v55 n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1v55 n GLY 77 N 1.15 0.38 3.77 3.14 0.00 -1.26 -5.05 105.19 107.31 1v55 n GLY 77 Ca 0.04 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 1v55 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v55 s GLU 78 N -0.82 3.90 0.33 1.61 2.56 -1.26 -4.71 118.70 120.31 1v55 s GLU 78 Ca 0.00 2.28 -0.28 0.00 0.00 0.00 0.00 54.97 56.97 1v55 s GLU 78 Cb 0.00 -2.76 -0.13 0.00 2.00 0.00 0.00 34.13 33.25 1v55 s GLU 78 CO 0.00 -0.59 1.23 0.00 -0.56 0.00 0.00 175.26 175.34 1v55 n ALA 79 N 0.08 0.96 -2.69 6.30 0.00 -1.26 -4.94 120.51 118.96 1v55 n ALA 79 Ca 0.04 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.62 1v55 n ALA 79 Cb 0.42 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 1v55 n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1v55 s GLN 80 N -1.82 2.66 0.05 0.00 -0.21 -0.20 -4.91 119.66 115.23 1v55 s GLN 80 Ca 0.56 -1.25 0.08 0.00 0.02 0.00 0.00 55.36 54.77 1v55 s GLN 80 Cb -0.60 -2.40 -0.03 0.00 1.00 0.00 0.00 33.01 30.99 1v55 s GLN 80 CO 0.62 0.31 -0.20 1.03 -2.12 0.00 0.00 175.29 174.93 1v55 s ARG 81 N -3.82 1.97 0.23 2.91 0.52 -1.26 -0.87 118.95 118.63 1v55 s ARG 81 Ca 0.34 -1.04 -0.31 0.00 -0.52 0.00 0.00 55.73 54.20 1v55 s ARG 81 Cb -0.07 -2.13 -0.12 0.00 0.52 0.00 0.00 34.95 33.15 1v55 s ARG 81 CO 0.24 0.53 1.70 0.00 0.02 0.00 0.00 175.30 177.78 1v55 h PRO 83 N 6.26 0.00 0.00 0.00 0.11 -1.96 -0.02 132.00 136.40 1v55 h PRO 83 Ca -0.44 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.30 1v55 h PRO 83 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1v55 h PRO 83 CO 0.92 0.00 -2.07 0.45 -0.21 0.00 0.00 178.00 177.09 1v55 n SER 84 N -3.32 1.93 -0.04 -2.05 2.88 -1.26 -4.75 113.62 107.00 1v55 n SER 84 Ca -0.03 0.37 0.06 0.00 -1.33 0.00 0.00 58.87 57.94 1v55 n SER 84 Cb 0.11 -0.86 -0.06 0.00 -0.75 0.00 0.00 64.21 62.65 1v55 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v55 n GLY 86 N 1.24 0.86 3.77 0.00 0.00 -0.02 -4.93 105.19 106.11 1v55 n GLY 86 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1v55 n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v55 s THR 87 N -3.55 2.25 0.22 2.61 -4.23 -1.26 -4.29 115.64 107.39 1v55 s THR 87 Ca 0.00 0.23 -0.21 0.00 -1.18 0.00 0.00 61.69 60.53 1v55 s THR 87 Cb 0.00 -3.13 -0.08 0.00 1.34 0.00 0.00 72.50 70.63 1v55 s THR 87 CO 0.00 0.03 0.74 -1.00 -0.54 0.00 0.00 174.62 173.85 1v55 s HIS 88 N -1.22 3.68 0.00 3.99 0.09 0.56 -1.20 115.29 121.20 1v55 s HIS 88 Ca 0.60 1.43 0.02 0.00 -0.00 0.00 0.00 55.06 57.10 1v55 s HIS 88 Cb -0.42 -2.65 -0.01 0.00 -0.00 0.00 0.00 32.58 29.51 1v55 s HIS 88 CO 0.54 0.36 -0.06 0.71 -0.00 0.00 0.00 174.74 176.29 1v55 s TYR 89 N -1.47 0.52 -0.02 1.40 2.02 -0.05 -0.95 117.35 118.80 1v55 s TYR 89 Ca 0.42 -0.14 -0.00 0.00 -0.37 0.00 0.00 57.07 56.98 1v55 s TYR 89 Cb -0.18 -0.33 0.03 0.00 -0.40 0.00 0.00 41.96 41.08 1v55 s TYR 89 CO 0.22 -0.02 0.03 0.21 -1.57 0.00 0.00 175.55 174.42 1v55 s LYS 90 N -0.28 0.03 0.17 -0.62 2.20 -0.24 -1.04 119.74 119.96 1v55 s LYS 90 Ca 0.01 0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 1v55 s LYS 90 Cb -0.03 -0.32 -0.07 0.00 -1.51 0.00 0.00 37.83 35.90 1v55 s LYS 90 CO -0.00 -0.17 1.08 -1.17 -0.36 0.00 0.00 175.35 174.72 1v55 s LEU 91 N 1.14 4.49 -0.47 5.43 2.96 -1.26 -0.81 118.68 130.16 1v55 s LEU 91 Ca -0.08 2.05 0.03 0.00 -0.22 0.00 0.00 54.13 55.90 1v55 s LEU 91 Cb -0.13 -3.60 0.13 0.00 0.50 0.00 0.00 46.19 43.09 1v55 s LEU 91 CO -0.03 -0.19 0.25 0.68 -1.32 0.00 0.00 176.35 175.74 1v55 s VAL 92 N -0.22 1.84 1.14 1.68 -7.23 -0.15 -4.72 120.40 112.74 1v55 s VAL 92 Ca 0.49 -2.86 -0.13 0.00 -1.81 0.00 0.00 61.98 57.67 1v55 s VAL 92 Cb -0.28 -2.28 0.24 0.00 0.56 0.00 0.00 36.38 34.62 1v55 s VAL 92 CO 0.34 -0.87 0.88 -0.81 -0.31 0.00 0.00 175.10 174.34 1v55 n PRO 93 N 3.36 -2.08 0.00 4.82 -0.04 -1.26 -2.70 135.00 137.09 1v55 n PRO 93 Ca 0.08 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1v55 n PRO 93 Cb 0.34 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1v55 n PRO 93 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1v55 n HIS 94 N -4.80 0.00 0.00 0.54 -0.00 0.65 -4.73 115.22 106.88 1v55 n HIS 94 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1v55 n HIS 94 Cb 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 1v55 n HIS 94 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 1v55 n GLN 95 N 0.00 0.00 0.00 1.57 -0.06 -1.26 -4.86 117.38 112.77 1v55 n GLN 95 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1v55 n GLN 95 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1v55 n GLN 95 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1v55 n LEU 96 N 0.00 0.00 -4.64 1.69 7.94 -1.26 -4.73 117.00 116.00 1v55 n LEU 96 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 1v55 n LEU 96 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1v55 n LEU 96 CO 0.00 0.00 0.70 0.00 -1.11 0.00 0.00 177.39 176.98 1v55 s ALA 97 N -1.00 3.61 -1.64 1.96 0.00 -1.26 -5.12 121.76 118.30 1v55 s ALA 97 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1v55 s ALA 97 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1v55 s ALA 97 CO 0.00 -1.08 0.41 0.72 0.00 0.00 0.00 175.76 175.81