#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 -0.16 0.00 0.00 1.04 -1.26 -5.18 113.70 108.15 1v55 s SER 2 Ca 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1v55 s SER 2 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1v55 s SER 2 CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1v55 n GLY 3 N 0.38 1.23 0.00 7.32 0.00 -1.26 -5.20 105.19 107.66 1v55 n GLY 3 Ca -0.18 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 5.35 0.00 -0.02 0.00 -1.26 -5.00 105.19 104.26 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 3.51 0.39 3.52 -0.02 0.00 -1.26 -5.07 105.19 106.25 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 4.67 0.93 1.61 1.01 -1.26 -5.09 120.40 120.27 1v55 s VAL 6 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1v55 s VAL 6 Cb 0.00 -3.18 0.15 0.00 0.00 0.00 0.00 36.38 33.35 1v55 s VAL 6 CO 0.00 0.33 1.11 -2.16 0.00 0.00 0.00 175.10 174.39 1v55 s PRO 7 N 1.46 0.92 0.36 2.72 0.04 -1.26 -5.05 135.00 134.19 1v55 s PRO 7 Ca 0.06 1.31 0.08 0.00 0.04 0.00 0.00 61.00 62.49 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 0.05 -2.62 0.18 0.95 0.04 0.00 0.00 177.00 175.60 1v55 s THR 8 N -2.69 2.83 0.20 1.26 -4.23 -1.26 -4.98 115.64 106.78 1v55 s THR 8 Ca 0.66 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 59.42 1v55 s THR 8 Cb -0.22 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.77 1v55 s THR 8 CO 0.59 -0.12 1.78 0.44 -0.54 0.00 0.00 174.62 176.77 1v55 h ASP 9 N 1.47 0.98 -0.97 3.99 3.32 -1.96 0.17 116.42 123.41 1v55 h ASP 9 Ca -0.43 -0.14 0.11 0.00 0.02 0.00 0.00 57.03 56.59 1v55 h ASP 9 Cb 1.25 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 40.47 1v55 h ASP 9 CO 0.64 0.85 0.62 -0.08 -1.72 0.00 0.00 179.24 179.55 1v55 h GLU 10 N 1.05 0.93 0.08 3.56 4.57 -1.95 0.41 114.58 123.23 1v55 h GLU 10 Ca 0.25 -0.06 -0.29 0.00 -1.18 0.00 0.00 59.36 58.09 1v55 h GLU 10 Cb 0.14 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1v55 h GLU 10 CO -0.03 0.62 -1.48 0.93 -1.18 0.00 0.00 179.01 177.87 1v55 h GLU 11 N 0.96 0.16 0.00 1.92 5.08 -1.81 -3.42 114.58 117.47 1v55 h GLU 11 Ca 0.47 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1v55 h GLU 11 Cb 0.47 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1v55 h GLU 11 CO -0.24 0.98 -0.59 0.94 -1.00 0.00 0.00 179.01 179.11 1v55 n GLN 12 N -3.36 3.30 -1.78 2.33 7.27 0.53 -4.97 117.38 120.70 1v55 n GLN 12 Ca -0.14 -0.01 -0.40 0.00 0.07 0.00 0.00 57.00 56.52 1v55 n GLN 12 Cb 1.03 -0.82 0.02 0.00 2.41 0.00 0.00 30.24 32.87 1v55 n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1v55 s ALA 13 N -1.67 3.19 0.20 1.69 0.00 0.14 -5.00 121.76 120.30 1v55 s ALA 13 Ca 0.00 1.46 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1v55 s ALA 13 Cb 0.02 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1v55 s ALA 13 CO 0.10 -1.24 0.15 -2.37 0.00 0.00 0.00 175.76 172.40 1v55 n THR 14 N -0.32 0.00 -1.47 0.00 5.66 -1.26 -4.66 114.28 112.24 1v55 n THR 14 Ca 0.06 -1.39 0.00 0.00 -3.05 0.00 0.00 64.05 59.67 1v55 n THR 14 Cb 0.42 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 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 -0.21 1.38 0.28 1.09 0.00 -1.26 -1.22 105.19 105.25 1v55 n GLY 15 Ca 0.03 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 0.30 -0.45 0.99 5.85 -1.99 -2.20 115.31 117.81 1v55 h LEU 16 Ca 0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1v55 h LEU 16 Cb 0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1v55 h LEU 16 CO 0.00 0.28 0.28 -0.08 -0.34 0.00 0.00 178.44 178.58 1v55 h GLU 17 N 0.34 0.55 -0.68 1.25 4.81 -1.90 -1.26 114.58 117.70 1v55 h GLU 17 Ca 0.09 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1v55 h GLU 17 Cb 0.06 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1v55 h GLU 17 CO -0.01 0.37 0.25 -0.09 -0.73 0.00 0.00 179.01 178.79 1v55 h ARG 18 N 0.57 1.02 -0.10 1.92 2.43 -0.55 -1.41 114.38 118.26 1v55 h ARG 18 Ca 0.17 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1v55 h ARG 18 Cb -0.03 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 1v55 h ARG 18 CO -0.06 0.87 0.06 0.93 -1.51 0.00 0.00 179.97 180.26 1v55 h GLU 19 N 0.97 0.12 -0.83 0.20 5.08 -1.18 0.18 114.58 119.11 1v55 h GLU 19 Ca 0.22 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1v55 h GLU 19 Cb 0.24 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1v55 h GLU 19 CO -0.01 0.08 0.51 0.28 -1.00 0.00 0.00 179.01 178.87 1v55 h VAL 20 N 0.12 1.23 -0.20 3.13 2.07 -1.13 -0.46 116.25 121.01 1v55 h VAL 20 Ca 0.04 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1v55 h VAL 20 Cb -0.00 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1v55 h VAL 20 CO -0.02 0.24 0.06 -0.03 0.02 0.00 0.00 177.57 177.84 1v55 h MET 21 N 1.14 0.31 -0.37 1.57 1.85 -0.67 -0.81 114.93 117.95 1v55 h MET 21 Ca 0.30 -0.07 -0.14 0.00 -0.61 0.00 0.00 59.70 59.18 1v55 h MET 21 Cb -0.06 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 31.91 1v55 h MET 21 CO -0.06 0.41 -0.34 -0.07 -0.40 0.00 0.00 176.91 176.45 1v55 h LEU 22 N 0.15 0.89 -0.57 3.39 3.38 -0.56 -2.61 115.31 119.38 1v55 h LEU 22 Ca 0.06 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1v55 h LEU 22 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1v55 h LEU 22 CO -0.00 1.14 0.19 0.00 0.09 0.00 0.00 178.44 179.86 1v55 h ALA 23 N 0.90 0.74 -0.17 1.53 0.00 -1.02 -2.08 119.26 119.16 1v55 h ALA 23 Ca 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1v55 h ALA 23 Cb 0.90 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1v55 h ALA 23 CO 0.08 0.39 0.01 0.00 0.00 0.00 0.00 179.25 179.74 1v55 h ALA 24 N 1.05 1.72 -0.19 0.00 0.00 -1.06 -0.12 119.26 120.65 1v55 h ALA 24 Ca 0.19 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1v55 h ALA 24 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1v55 h ALA 24 CO -0.01 0.22 -0.25 -0.09 0.00 0.00 0.00 179.25 179.12 1v55 h ARG 25 N 0.24 0.36 -0.12 0.00 2.43 -0.99 -2.02 114.38 114.28 1v55 h ARG 25 Ca 0.06 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1v55 h ARG 25 Cb 0.14 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1v55 h ARG 25 CO 0.00 0.58 0.00 1.63 -1.51 0.00 0.00 179.97 180.68 1v55 n LYS 26 N -4.14 1.58 -1.06 0.20 5.02 -0.59 -4.91 118.16 114.26 1v55 n LYS 26 Ca -0.01 -0.87 -0.02 0.00 -2.02 0.00 0.00 58.31 55.39 1v55 n LYS 26 Cb 0.38 -1.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.55 3.89 0.72 0.00 -0.76 -5.04 105.19 105.63 1v55 n GLY 27 Ca 0.16 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.86 3.19 -0.47 1.61 -0.21 -0.16 -4.98 119.66 116.78 1v55 s GLN 28 Ca 0.00 -0.81 0.08 0.00 0.02 0.00 0.00 55.36 54.65 1v55 s GLN 28 Cb 0.00 -2.78 0.28 0.00 1.00 0.00 0.00 33.01 31.52 1v55 s GLN 28 CO 0.00 0.46 0.68 -3.47 -2.12 0.00 0.00 175.29 170.84 1v55 n ASP 29 N -0.86 1.75 0.27 5.90 2.03 -1.26 -3.64 116.55 120.73 1v55 n ASP 29 Ca -0.08 -3.07 0.15 0.00 0.52 0.00 0.00 54.79 52.31 1v55 n ASP 29 Cb 0.56 -0.63 0.71 0.00 -0.72 0.00 0.00 41.12 41.03 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 3.70 0.00 -0.58 -0.67 0.13 -1.96 -3.08 132.00 129.53 1v55 h PRO 30 Ca 0.12 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.03 1v55 h PRO 30 Cb 0.80 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.80 1v55 h PRO 30 CO 0.61 0.09 0.19 0.66 -0.23 0.00 0.00 178.00 179.32 1v55 n TYR 31 N -3.32 1.89 -4.15 1.56 4.02 -1.26 -4.98 117.16 110.92 1v55 n TYR 31 Ca -0.01 -1.36 -0.29 0.00 -0.01 0.00 0.00 57.90 56.23 1v55 n TYR 31 Cb 0.29 -0.61 -0.06 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 -0.66 -0.10 0.11 7.72 3.02 -1.16 -4.87 115.26 119.31 1v55 n ASN 32 Ca 0.38 -1.13 -0.01 0.00 -0.03 0.00 0.00 54.58 53.80 1v55 n ASN 32 Cb 1.25 -2.36 -0.02 0.00 -0.61 0.00 0.00 39.78 38.03 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 -1.74 1.11 -2.69 2.41 2.04 -1.94 -3.46 117.51 113.24 1v55 h ILE 33 Ca -0.64 -2.58 -0.57 0.00 1.00 0.00 0.00 64.86 62.07 1v55 h ILE 33 Cb 1.39 2.54 -0.08 0.00 -0.74 0.00 0.00 36.82 39.93 1v55 h ILE 33 CO 0.69 0.63 -0.59 -0.76 0.00 0.00 0.00 178.15 178.12 1v55 s LEU 34 N -6.51 3.67 -0.18 1.44 1.43 -1.26 -5.08 118.68 112.19 1v55 s LEU 34 Ca 0.03 -0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 52.66 1v55 s LEU 34 Cb 0.08 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1v55 s LEU 34 CO 0.77 0.06 0.79 0.00 0.23 0.00 0.00 176.35 178.20 1v55 s ALA 35 N -1.79 3.53 0.51 4.21 0.00 -1.26 -5.03 121.76 121.93 1v55 s ALA 35 Ca 0.30 -0.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.02 1v55 s ALA 35 Cb -0.10 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1v55 s ALA 35 CO 0.22 -0.64 1.23 -1.25 0.00 0.00 0.00 175.76 175.32 1v55 s PRO 36 N 2.13 3.41 0.05 0.00 0.04 -1.26 -5.00 135.00 134.38 1v55 s PRO 36 Ca 0.36 1.91 -0.22 0.00 0.04 0.00 0.00 61.00 63.09 1v55 s PRO 36 Cb -0.16 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1v55 s PRO 36 CO 0.12 -0.87 0.65 0.21 0.04 0.00 0.00 177.00 177.14 1v55 s LYS 37 N -2.91 4.36 0.41 4.56 2.47 -1.26 -5.06 119.74 122.30 1v55 s LYS 37 Ca 0.69 0.86 -0.23 0.00 -1.56 0.00 0.00 55.97 55.73 1v55 s LYS 37 Cb -0.32 -3.30 -0.09 0.00 -1.46 0.00 0.00 37.83 32.65 1v55 s LYS 37 CO 0.38 0.46 1.02 0.00 0.16 0.00 0.00 175.35 177.37 1v55 s ALA 38 N -0.59 3.06 0.45 3.13 0.00 -1.26 -5.00 121.76 121.55 1v55 s ALA 38 Ca 0.33 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1v55 s ALA 38 Cb -0.20 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1v55 s ALA 38 CO 0.20 -0.11 0.00 0.25 0.00 0.00 0.00 175.76 176.10 1v55 n THR 39 N -0.20 0.00 0.62 0.00 -2.24 -1.26 -4.95 114.28 106.24 1v55 n THR 39 Ca 0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 1v55 n THR 39 Cb 0.51 -1.45 0.46 0.00 -2.10 0.00 0.00 70.33 67.74 1v55 n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1v55 n SER 40 N -2.09 0.39 -0.93 3.42 3.41 -1.26 -4.90 113.62 111.67 1v55 n SER 40 Ca 0.00 0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 59.05 1v55 n SER 40 Cb 0.00 -0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.24 1v55 n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v55 n GLY 41 N 0.68 1.30 3.94 5.00 0.00 -0.75 -4.93 105.19 110.43 1v55 n GLY 41 Ca 0.04 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.42 2.06 0.27 2.61 -4.23 -1.12 -0.30 115.64 112.49 1v55 s THR 42 Ca 0.00 -0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.34 1v55 s THR 42 Cb 0.00 -2.93 0.26 0.00 1.34 0.00 0.00 72.50 71.17 1v55 s THR 42 CO 0.00 0.00 1.94 0.50 -0.54 0.00 0.00 174.62 176.52 1v55 h LYS 43 N -1.23 1.24 0.00 3.99 3.64 -1.96 -1.70 116.57 120.55 1v55 h LYS 43 Ca -0.43 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 58.72 1v55 h LYS 43 Cb 1.27 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1v55 h LYS 43 CO 0.46 0.83 -0.75 0.93 -2.27 0.00 0.00 179.45 178.65 1v55 h GLU 44 N 1.27 0.00 -2.17 1.90 3.07 -2.02 -3.37 114.58 113.27 1v55 h GLU 44 Ca 0.34 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.64 1v55 h GLU 44 Cb -0.13 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.37 1v55 h GLU 44 CO -0.07 0.63 -0.82 -3.47 -1.40 0.00 0.00 179.01 173.88 1v55 n ASP 45 N -3.23 3.02 -4.78 1.42 4.64 -0.98 -5.11 116.55 111.53 1v55 n ASP 45 Ca -0.00 -3.38 -0.32 0.00 -1.38 0.00 0.00 54.79 49.71 1v55 n ASP 45 Cb 0.81 -0.60 0.07 0.00 -1.04 0.00 0.00 41.12 40.36 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 -2.84 2.53 -0.05 -0.67 0.04 -0.68 -1.81 135.00 131.52 1v55 s PRO 46 Ca 0.44 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1v55 s PRO 46 Cb 0.27 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 1v55 s PRO 46 CO -0.10 -1.44 1.24 -0.80 0.04 0.00 0.00 177.00 175.94 1v55 s ASN 47 N -3.18 7.01 -0.33 6.66 0.01 -0.42 -4.80 114.94 119.89 1v55 s ASN 47 Ca 0.63 1.86 -0.24 0.00 -0.71 0.00 0.00 52.86 54.39 1v55 s ASN 47 Cb -0.18 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.93 1v55 s ASN 47 CO 0.51 -0.62 0.83 -0.76 -1.51 0.00 0.00 177.10 175.56 1v55 s LEU 48 N 2.32 4.07 -0.39 0.60 2.01 -1.26 -1.04 118.68 124.99 1v55 s LEU 48 Ca 0.57 0.61 -0.08 0.00 0.01 0.00 0.00 54.13 55.24 1v55 s LEU 48 Cb -0.26 -3.14 0.06 0.00 0.01 0.00 0.00 46.19 42.87 1v55 s LEU 48 CO 0.22 -0.70 0.20 -0.69 1.01 0.00 0.00 176.35 176.39 1v55 s VAL 49 N 3.13 4.11 0.61 -1.59 1.01 -0.17 -4.96 120.40 122.56 1v55 s VAL 49 Ca 0.34 -1.25 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 1v55 s VAL 49 Cb -0.13 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1v55 s VAL 49 CO 0.15 -0.37 1.15 -2.84 0.00 0.00 0.00 175.10 173.19 1v55 s PRO 50 N 1.43 2.95 -0.03 2.72 0.02 -1.26 -0.78 135.00 140.05 1v55 s PRO 50 Ca 0.02 1.60 -0.29 0.00 0.02 0.00 0.00 61.00 62.34 1v55 s PRO 50 Cb -0.21 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.44 1v55 s PRO 50 CO 0.03 -1.17 0.72 0.45 -0.33 0.00 0.00 177.00 176.70 1v55 s SER 51 N -2.03 -0.59 0.00 2.53 0.15 -1.07 -4.83 113.70 107.86 1v55 s SER 51 Ca 0.72 0.51 0.23 0.00 0.70 0.00 0.00 55.95 58.12 1v55 s SER 51 Cb -0.25 0.51 0.36 0.00 -1.71 0.00 0.00 66.02 64.94 1v55 s SER 51 CO 0.35 -0.64 1.36 2.30 1.20 0.00 0.00 173.24 177.82 1v55 n ILE 52 N 0.60 0.38 -3.55 6.45 -5.35 -1.26 0.16 119.36 116.79 1v55 n ILE 52 Ca -0.17 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 1v55 n ILE 52 Cb 0.59 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.61 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 1.46 0.00 -0.31 7.28 -2.24 -1.26 -4.42 114.28 114.79 1v55 n THR 53 Ca 0.18 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 1v55 n THR 53 Cb 0.61 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 69.15 1v55 n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1v55 n ASN 54 N -1.29 4.07 -3.56 3.42 3.02 -1.26 -4.53 115.26 115.12 1v55 n ASN 54 Ca 0.00 -2.21 -0.16 0.00 -0.03 0.00 0.00 54.58 52.18 1v55 n ASN 54 Cb 0.00 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 1v55 n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1v55 s LYS 55 N -1.47 0.92 -0.08 3.52 -2.85 -1.26 -0.27 119.74 118.24 1v55 s LYS 55 Ca 0.47 0.48 -0.08 0.00 -1.00 0.00 0.00 55.97 55.84 1v55 s LYS 55 Cb 0.27 0.44 0.02 0.00 -2.06 0.00 0.00 37.83 36.50 1v55 s LYS 55 CO 0.27 -0.23 0.22 0.50 0.10 0.00 0.00 175.35 176.21 1v55 s ARG 56 N -0.64 0.26 0.07 1.78 3.52 -0.16 -4.94 118.95 118.84 1v55 s ARG 56 Ca -0.06 0.31 -0.31 0.00 -0.13 0.00 0.00 55.73 55.54 1v55 s ARG 56 Cb -0.02 0.12 -0.06 0.00 -1.56 0.00 0.00 34.95 33.44 1v55 s ARG 56 CO 0.06 -0.03 1.21 0.42 -0.81 0.00 0.00 175.30 176.15 1v55 s ILE 57 N 0.13 3.96 -0.00 4.11 1.01 -1.26 0.09 121.20 129.23 1v55 s ILE 57 Ca -0.00 1.41 0.04 0.00 0.00 0.00 0.00 60.65 62.10 1v55 s ILE 57 Cb -0.02 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1v55 s ILE 57 CO 0.00 0.11 -0.10 -0.69 0.00 0.00 0.00 174.94 174.27 1v55 s VAL 58 N 1.04 3.43 -0.18 2.92 1.01 0.12 -4.90 120.40 123.84 1v55 s VAL 58 Ca 0.59 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1v55 s VAL 58 Cb -0.30 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.64 1v55 s VAL 58 CO 0.29 0.43 -0.19 -0.83 0.00 0.00 0.00 175.10 174.80 1v55 s GLY 59 N -1.28 1.40 -0.26 4.51 0.00 -1.26 -1.41 107.32 109.03 1v55 s GLY 59 Ca 0.16 -1.21 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 1v55 s GLY 59 CO 0.06 0.28 0.04 0.00 0.00 0.00 0.00 173.10 173.48 1v55 s ILE 61 N 1.54 5.28 0.23 0.00 1.01 -1.26 -1.75 121.20 126.24 1v55 s ILE 61 Ca 0.05 -2.45 -0.17 0.00 0.00 0.00 0.00 60.65 58.07 1v55 s ILE 61 Cb -0.16 -4.71 0.25 0.00 0.01 0.00 0.00 42.46 37.85 1v55 s ILE 61 CO 0.01 -1.36 1.56 0.00 0.00 0.00 0.00 174.94 175.15 1v55 s GLU 63 N -5.98 1.15 0.27 0.00 2.02 -1.26 -5.06 118.70 109.85 1v55 s GLU 63 Ca -0.14 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 1v55 s GLU 63 Cb 0.21 -1.31 -0.13 0.00 0.10 0.00 0.00 34.13 33.00 1v55 s GLU 63 CO 0.72 0.31 1.42 -1.91 0.02 0.00 0.00 175.26 175.82 1v55 n GLU 64 N 1.45 2.20 -0.86 1.61 2.13 -1.26 -1.81 120.64 124.10 1v55 n GLU 64 Ca -0.19 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1v55 n GLU 64 Cb 0.54 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.80 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 1.83 0.00 -4.77 4.31 10.43 -1.26 -5.01 116.55 122.08 1v55 n ASP 65 Ca 0.09 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 57.04 1v55 n ASP 65 Cb 0.34 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.28 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 -3.10 6.60 0.15 -2.24 -0.87 -0.75 -4.90 114.94 109.82 1v55 s ASN 66 Ca 0.00 2.83 0.23 0.00 -1.57 0.00 0.00 52.86 54.35 1v55 s ASN 66 Cb 0.00 -2.66 -0.03 0.00 -0.02 0.00 0.00 41.25 38.55 1v55 s ASN 66 CO 0.00 -0.67 0.97 -1.54 -2.57 0.00 0.00 177.10 173.29 1v55 n SER 67 N 0.69 0.69 -4.67 -1.22 3.41 -1.26 -4.85 113.62 106.41 1v55 n SER 67 Ca 0.00 0.21 -0.40 0.00 -0.26 0.00 0.00 58.87 58.43 1v55 n SER 67 Cb 0.41 0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 65.00 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 -3.36 5.01 -0.16 6.66 2.01 -1.26 -5.05 115.64 119.48 1v55 s THR 68 Ca -0.01 1.30 -0.06 0.00 0.31 0.00 0.00 61.69 63.23 1v55 s THR 68 Cb 0.11 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1v55 s THR 68 CO 0.81 0.12 0.04 -0.69 -0.69 0.00 0.00 174.62 174.21 1v55 s VAL 69 N 1.74 4.63 -0.28 3.82 1.01 -1.26 -4.69 120.40 125.37 1v55 s VAL 69 Ca 0.32 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 1v55 s VAL 69 Cb -0.16 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1v55 s VAL 69 CO 0.12 0.50 0.42 -0.63 0.00 0.00 0.00 175.10 175.51 1v55 s ILE 70 N 0.03 5.14 -0.07 2.22 -1.09 -0.72 -4.87 121.20 121.83 1v55 s ILE 70 Ca 0.05 0.59 -0.00 0.00 -2.23 0.00 0.00 60.65 59.06 1v55 s ILE 70 Cb -0.12 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1v55 s ILE 70 CO 0.01 0.09 -0.04 0.26 -1.23 0.00 0.00 174.94 174.04 1v55 s TRP 71 N 2.15 3.02 -0.06 3.97 0.52 -1.26 0.61 118.94 127.90 1v55 s TRP 71 Ca 0.17 0.09 -0.30 0.00 0.02 0.00 0.00 56.10 56.08 1v55 s TRP 71 Cb -0.16 -1.74 0.09 0.00 -1.15 0.00 0.00 33.47 30.52 1v55 s TRP 71 CO 0.10 0.39 0.81 -0.59 0.02 0.00 0.00 176.95 177.68 1v55 s PHE 72 N -0.85 -0.50 -0.03 -1.98 -0.12 -0.50 -4.99 117.98 109.01 1v55 s PHE 72 Ca 0.13 0.75 -0.29 0.00 -0.05 0.00 0.00 56.93 57.46 1v55 s PHE 72 Cb -0.11 0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1v55 s PHE 72 CO 0.02 -0.53 0.95 -1.58 -0.05 0.00 0.00 175.22 174.03 1v55 s TRP 73 N -1.70 3.62 -0.29 3.49 0.52 -1.26 0.13 118.94 123.45 1v55 s TRP 73 Ca -0.04 1.62 -0.11 0.00 0.02 0.00 0.00 56.10 57.59 1v55 s TRP 73 Cb -0.00 -3.09 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 1v55 s TRP 73 CO 0.02 -0.04 0.20 -1.17 0.02 0.00 0.00 176.95 175.98 1v55 s LEU 74 N 1.17 4.10 0.20 2.99 2.96 0.11 -4.92 118.68 125.30 1v55 s LEU 74 Ca 0.50 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1v55 s LEU 74 Cb -0.20 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 1v55 s LEU 74 CO 0.25 -0.08 0.34 -1.00 -1.32 0.00 0.00 176.35 174.54 1v55 s HIS 75 N 1.75 3.47 0.34 5.38 3.76 -1.26 -0.99 115.29 127.75 1v55 s HIS 75 Ca 0.07 0.11 -0.29 0.00 -0.15 0.00 0.00 55.06 54.81 1v55 s HIS 75 Cb -0.16 -1.67 -0.11 0.00 1.11 0.00 0.00 32.58 31.75 1v55 s HIS 75 CO 0.11 0.45 1.42 0.21 -0.85 0.00 0.00 174.74 176.08 1v55 s LYS 76 N -3.55 4.22 0.00 1.40 2.20 0.62 -4.46 119.74 120.17 1v55 s LYS 76 Ca 0.35 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.38 1v55 s LYS 76 Cb -0.10 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1v55 s LYS 76 CO 0.29 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1v55 n GLY 77 N 0.83 0.43 3.76 5.54 0.00 -1.26 -5.05 105.19 109.44 1v55 n GLY 77 Ca 0.01 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.10 3.47 0.37 1.61 2.12 -1.26 -4.71 118.70 119.20 1v55 s GLU 78 Ca 0.00 1.94 -0.27 0.00 0.36 0.00 0.00 54.97 57.00 1v55 s GLU 78 Cb 0.00 -2.31 -0.12 0.00 0.26 0.00 0.00 34.13 31.96 1v55 s GLU 78 CO 0.00 -0.83 1.31 0.00 -0.54 0.00 0.00 175.26 175.20 1v55 n ALA 79 N -0.77 1.42 -2.72 6.30 0.00 -1.26 -4.92 120.51 118.55 1v55 n ALA 79 Ca 0.09 0.33 -0.22 0.00 0.00 0.00 0.00 53.44 53.64 1v55 n ALA 79 Cb 0.47 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.98 2.60 0.07 0.00 -0.21 -0.27 -4.91 119.66 114.95 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 -0.54 -2.35 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 1v55 s GLN 80 CO 0.61 0.37 -0.18 1.03 -2.12 0.00 0.00 175.29 175.01 1v55 s ARG 81 N -3.76 1.95 0.21 2.91 0.52 -1.26 -1.18 118.95 118.34 1v55 s ARG 81 Ca 0.32 -1.06 -0.32 0.00 -0.52 0.00 0.00 55.73 54.15 1v55 s ARG 81 Cb -0.07 -2.16 -0.12 0.00 0.52 0.00 0.00 34.95 33.11 1v55 s ARG 81 CO 0.22 0.51 1.70 0.00 0.02 0.00 0.00 175.30 177.76 1v55 h PRO 83 N 6.58 0.00 0.00 0.00 0.11 -1.96 0.14 132.00 136.86 1v55 h PRO 83 Ca -0.43 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.44 1v55 h PRO 83 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1v55 h PRO 83 CO 0.94 0.00 -1.47 0.45 -0.21 0.00 0.00 178.00 177.71 1v55 n SER 84 N -4.02 1.88 -0.22 -2.05 2.88 -1.26 -4.74 113.62 106.09 1v55 n SER 84 Ca 0.02 0.43 0.06 0.00 -1.33 0.00 0.00 58.87 58.05 1v55 n SER 84 Cb 0.33 -0.89 -0.02 0.00 -0.75 0.00 0.00 64.21 62.88 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 1.10 0.74 3.77 0.00 0.00 0.48 -4.92 105.19 106.35 1v55 n GLY 86 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.19 2.60 0.24 2.61 -4.23 -1.26 -4.30 115.64 108.11 1v55 s THR 87 Ca 0.00 0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 60.83 1v55 s THR 87 Cb 0.00 -3.31 -0.09 0.00 1.34 0.00 0.00 72.50 70.44 1v55 s THR 87 CO 0.00 0.07 0.78 -1.00 -0.54 0.00 0.00 174.62 173.93 1v55 s HIS 88 N -1.28 3.68 0.01 3.99 0.09 0.58 -1.29 115.29 121.08 1v55 s HIS 88 Ca 0.58 1.50 0.01 0.00 -0.00 0.00 0.00 55.06 57.14 1v55 s HIS 88 Cb -0.38 -2.70 -0.01 0.00 -0.00 0.00 0.00 32.58 29.49 1v55 s HIS 88 CO 0.48 0.33 -0.03 0.71 -0.00 0.00 0.00 174.74 176.23 1v55 s TYR 89 N -1.51 0.26 -0.03 1.40 2.02 -0.33 -1.30 117.35 117.87 1v55 s TYR 89 Ca 0.44 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 1v55 s TYR 89 Cb -0.18 -0.17 0.03 0.00 -0.40 0.00 0.00 41.96 41.24 1v55 s TYR 89 CO 0.22 -0.07 0.01 0.21 -1.57 0.00 0.00 175.55 174.35 1v55 s LYS 90 N -0.68 0.17 0.25 -0.62 2.20 -0.21 -1.12 119.74 119.73 1v55 s LYS 90 Ca -0.06 0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.38 1v55 s LYS 90 Cb -0.05 -0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 35.78 1v55 s LYS 90 CO -0.00 -0.16 1.03 -1.17 -0.36 0.00 0.00 175.35 174.69 1v55 s LEU 91 N 1.09 4.59 -0.49 5.43 2.96 -1.26 -0.99 118.68 130.00 1v55 s LEU 91 Ca -0.09 2.11 0.03 0.00 -0.22 0.00 0.00 54.13 55.96 1v55 s LEU 91 Cb -0.13 -3.62 0.14 0.00 0.50 0.00 0.00 46.19 43.08 1v55 s LEU 91 CO -0.02 -0.02 0.28 0.68 -1.32 0.00 0.00 176.35 175.95 1v55 s VAL 92 N -1.05 1.75 1.12 1.68 -7.23 0.04 -4.73 120.40 111.99 1v55 s VAL 92 Ca 0.44 -2.94 -0.13 0.00 -1.81 0.00 0.00 61.98 57.53 1v55 s VAL 92 Cb -0.29 -2.21 0.25 0.00 0.56 0.00 0.00 36.38 34.69 1v55 s VAL 92 CO 0.36 -0.92 1.05 -2.16 -0.31 0.00 0.00 175.10 173.13 1v55 s PRO 93 N -0.04 -0.54 0.23 4.82 0.04 -1.26 -2.58 135.00 135.68 1v55 s PRO 93 Ca 0.20 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1v55 s PRO 93 Cb -0.20 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1v55 s PRO 93 CO -0.04 -3.40 0.00 0.72 0.04 0.00 0.00 177.00 174.32 1v55 n HIS 94 N -4.66 -1.87 0.00 0.56 8.25 0.42 -4.73 115.22 113.19 1v55 n HIS 94 Ca 0.04 0.97 0.00 0.00 -0.26 0.00 0.00 57.72 58.48 1v55 n HIS 94 Cb 0.56 -1.70 0.00 0.00 1.12 0.00 0.00 29.99 29.97 1v55 n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1v55 n GLN 95 N -3.03 0.00 0.00 -0.41 3.00 -1.26 -4.84 117.38 110.84 1v55 n GLN 95 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1v55 n GLN 95 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.83 1v55 n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1v55 n LEU 96 N 0.00 0.00 -4.64 1.08 7.94 -1.26 -4.72 117.00 115.40 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 0.69 0.00 -1.11 0.00 0.00 177.39 176.97 1v55 s ALA 97 N -1.00 3.62 -2.00 1.96 0.00 -1.26 -5.12 121.76 117.96 1v55 s ALA 97 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.82 1v55 s ALA 97 Cb 0.00 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.83 1v55 s ALA 97 CO 0.00 -1.04 0.55 0.72 0.00 0.00 0.00 175.76 175.99