#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 s SER 2 N 0.00 -0.23 0.08 1.61 0.01 -1.26 -5.09 113.70 108.82 1x57 s SER 2 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1x57 s SER 2 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1x57 s SER 2 CO 0.00 -0.86 0.00 -1.20 0.41 0.00 0.00 173.24 171.59 1x57 n SER 3 N -0.42 0.03 -0.87 2.44 7.64 -1.26 -5.17 113.62 116.01 1x57 n SER 3 Ca -0.07 0.13 0.11 0.00 1.01 0.00 0.00 58.87 60.06 1x57 n SER 3 Cb 0.61 0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.85 1x57 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 4 N 1.86 -2.36 3.39 0.23 0.00 -1.26 -5.00 105.19 102.04 1x57 n GLY 4 Ca 0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 1x57 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x57 s SER 5 N -6.33 -0.58 0.40 1.61 1.04 -1.26 -5.14 113.70 103.43 1x57 s SER 5 Ca 0.00 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1x57 s SER 5 Cb 0.00 1.70 0.00 0.00 0.10 0.00 0.00 66.02 67.82 1x57 s SER 5 CO 0.00 -0.23 0.00 -1.20 0.98 0.00 0.00 173.24 172.79 1x57 n SER 6 N 5.41 -1.27 -0.00 7.02 7.64 -1.26 -5.06 113.62 126.10 1x57 n SER 6 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1x57 n SER 6 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1x57 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 7 N 0.00 -1.51 3.66 0.23 0.00 -1.26 -4.96 105.19 101.35 1x57 n GLY 7 Ca 0.00 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1x57 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x57 s ASP 8 N -0.64 6.44 0.54 1.61 2.15 -1.26 -5.00 116.67 120.51 1x57 s ASP 8 Ca 0.00 2.57 0.07 0.00 0.43 0.00 0.00 52.55 55.63 1x57 s ASP 8 Cb 0.00 -2.53 0.06 0.00 -0.30 0.00 0.00 42.92 40.15 1x57 s ASP 8 CO 0.00 -1.07 0.75 -0.13 -0.17 0.00 0.00 175.17 174.55 1x57 s ARG 9 N 4.47 2.41 0.05 4.34 3.00 -1.26 -5.15 118.95 126.81 1x57 s ARG 9 Ca 0.87 -1.39 -0.07 0.00 0.00 0.00 0.00 55.73 55.13 1x57 s ARG 9 Cb -0.41 -2.63 -0.01 0.00 0.00 0.00 0.00 34.95 31.91 1x57 s ARG 9 CO 0.39 -0.74 0.14 0.54 0.00 0.00 0.00 175.30 175.64 1x57 s VAL 10 N -2.64 0.13 -1.26 3.52 0.11 -1.26 -5.07 120.40 113.93 1x57 s VAL 10 Ca 0.60 -1.05 -0.15 0.00 -2.93 0.00 0.00 61.98 58.45 1x57 s VAL 10 Cb -0.07 -0.98 0.12 0.00 -1.53 0.00 0.00 36.38 33.92 1x57 s VAL 10 CO 0.38 -0.58 1.63 0.35 -3.33 0.00 0.00 175.10 173.54 1x57 n THR 11 N 0.61 4.10 -1.65 5.04 -2.24 -1.26 -4.99 114.28 113.89 1x57 n THR 11 Ca -0.18 -4.38 -0.47 0.00 -2.27 0.00 0.00 64.05 56.75 1x57 n THR 11 Cb 0.59 -2.42 -0.04 0.00 -2.10 0.00 0.00 70.33 66.36 1x57 n THR 11 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1x57 n LEU 12 N 6.66 2.77 -0.12 3.22 7.94 -1.26 -4.69 117.00 131.52 1x57 n LEU 12 Ca 0.43 1.10 -0.05 0.00 -1.11 0.00 0.00 56.01 56.38 1x57 n LEU 12 Cb 0.43 -1.38 0.03 0.00 0.53 0.00 0.00 43.42 43.04 1x57 n LEU 12 CO 0.71 -0.50 0.92 -0.33 -1.11 0.00 0.00 177.39 177.08 1x57 h GLU 13 N 5.28 0.23 0.01 1.96 5.08 -1.93 0.19 114.58 125.39 1x57 h GLU 13 Ca -0.45 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1x57 h GLU 13 Cb 1.28 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1x57 h GLU 13 CO 0.84 0.15 -0.08 0.28 -1.00 0.00 0.00 179.01 179.20 1x57 h VAL 14 N 0.24 0.79 -0.71 3.13 2.07 -1.90 -0.01 116.25 119.86 1x57 h VAL 14 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.75 1x57 h VAL 14 Cb 0.20 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1x57 h VAL 14 CO -0.22 0.00 0.47 1.23 0.02 0.00 0.00 177.57 179.07 1x57 h GLY 15 N -0.15 0.97 0.85 2.17 0.00 -1.47 0.99 103.07 106.43 1x57 h GLY 15 Ca 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1x57 h GLY 15 CO -0.08 0.27 -0.24 1.70 0.00 0.00 0.00 176.54 178.19 1x57 h LYS 16 N 0.82 -0.66 -0.34 4.80 1.63 -0.01 0.68 116.57 123.50 1x57 h LYS 16 Ca 0.29 0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 60.08 1x57 h LYS 16 Cb 0.12 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 1x57 h LYS 16 CO -0.09 -0.37 -0.01 0.28 -3.45 0.00 0.00 179.45 175.81 1x57 h VAL 17 N -0.84 1.20 0.89 2.00 2.07 -0.69 0.70 116.25 121.58 1x57 h VAL 17 Ca -0.07 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1x57 h VAL 17 Cb 0.59 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1x57 h VAL 17 CO 0.11 0.28 -0.47 0.40 0.02 0.00 0.00 177.57 177.91 1x57 h ILE 18 N 0.51 0.05 -0.90 4.57 2.04 -0.76 0.88 117.51 123.90 1x57 h ILE 18 Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 1x57 h ILE 18 Cb 0.35 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 1x57 h ILE 18 CO 0.01 0.00 0.56 -0.61 0.00 0.00 0.00 178.15 178.11 1x57 h GLN 19 N -1.25 0.97 0.63 2.37 4.15 -0.31 0.11 115.11 121.78 1x57 h GLN 19 Ca -0.12 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.21 1x57 h GLN 19 Cb 0.97 -0.22 0.01 0.00 0.21 0.00 0.00 27.48 28.45 1x57 h GLN 19 CO 0.17 0.64 -0.30 1.96 -1.93 0.00 0.00 178.83 179.37 1x57 h GLN 20 N 1.00 -0.81 -0.17 1.69 1.08 -0.85 -2.11 115.11 114.93 1x57 h GLN 20 Ca 0.40 0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.59 1x57 h GLN 20 Cb 0.22 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1x57 h GLN 20 CO -0.19 -0.50 -0.19 0.78 -0.95 0.00 0.00 178.83 177.78 1x57 h GLY 21 N -0.98 0.32 0.31 3.46 0.00 -0.37 0.47 103.07 106.28 1x57 h GLY 21 Ca -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1x57 h GLY 21 CO 0.14 0.21 -0.45 3.21 0.00 0.00 0.00 176.54 179.65 1x57 h ARG 22 N 0.27 -0.77 -0.66 4.80 3.08 -0.83 -2.66 114.38 117.62 1x57 h ARG 22 Ca 0.05 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.28 1x57 h ARG 22 Cb 0.50 0.17 -0.10 0.00 0.08 0.00 0.00 29.97 30.63 1x57 h ARG 22 CO 0.03 -0.51 0.13 1.96 -1.07 0.00 0.00 179.97 180.51 1x57 h GLN 23 N -0.79 0.24 0.00 0.04 4.20 -0.58 0.12 115.11 118.33 1x57 h GLN 23 Ca -0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1x57 h GLN 23 Cb 0.72 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1x57 h GLN 23 CO -0.13 0.16 0.00 0.43 -0.67 0.00 0.00 178.83 178.62 1x57 n SER 24 N -5.16 0.00 0.00 1.46 7.64 0.06 -0.96 113.62 116.67 1x57 n SER 24 Ca 0.11 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1x57 n SER 24 Cb 0.38 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1x57 n SER 24 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x57 n LYS 25 N -1.34 2.24 -1.58 1.43 5.02 -0.45 -5.00 118.16 118.48 1x57 n LYS 25 Ca 0.07 -1.31 -0.20 0.00 -2.02 0.00 0.00 58.31 54.85 1x57 n LYS 25 Cb 0.15 -1.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 1x57 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x57 n GLY 26 N -0.40 1.91 3.73 0.72 0.00 -0.05 -4.95 105.19 106.15 1x57 n GLY 26 Ca 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1x57 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 27 N -4.56 4.38 1.03 0.99 1.43 0.21 -4.94 118.68 117.23 1x57 s LEU 27 Ca 0.00 1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 54.34 1x57 s LEU 27 Cb 0.00 -3.25 0.22 0.00 0.03 0.00 0.00 46.19 43.18 1x57 s LEU 27 CO 0.00 -0.09 1.22 0.42 0.23 0.00 0.00 176.35 178.12 1x57 s THR 28 N 0.49 1.86 0.21 5.49 -4.23 -1.26 -4.37 115.64 113.83 1x57 s THR 28 Ca 0.41 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.88 1x57 s THR 28 Cb -0.20 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.88 1x57 s THR 28 CO 0.22 0.00 1.61 1.56 -0.54 0.00 0.00 174.62 177.48 1x57 h GLN 29 N -1.93 0.77 -0.74 3.99 4.20 -1.97 -0.78 115.11 118.65 1x57 h GLN 29 Ca -0.45 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 57.89 1x57 h GLN 29 Cb 1.27 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.99 1x57 h GLN 29 CO 0.41 0.94 0.28 -0.22 -0.67 0.00 0.00 178.83 179.57 1x57 h LYS 30 N 0.67 1.11 -0.41 1.46 3.11 -1.94 -0.50 116.57 120.07 1x57 h LYS 30 Ca 0.09 -0.20 -0.09 0.00 -2.81 0.00 0.00 60.65 57.63 1x57 h LYS 30 Cb 0.77 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.81 1x57 h LYS 30 CO 0.06 0.91 -0.11 -0.44 -2.81 0.00 0.00 179.45 177.06 1x57 h ASP 31 N 1.08 0.81 -0.04 4.20 3.32 -1.88 -2.44 116.42 121.48 1x57 h ASP 31 Ca 0.25 -0.37 0.02 0.00 0.02 0.00 0.00 57.03 56.94 1x57 h ASP 31 Cb 0.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1x57 h ASP 31 CO -0.02 1.00 -0.06 0.25 -1.72 0.00 0.00 179.24 178.69 1x57 h LEU 32 N 0.62 -0.17 -0.42 1.55 7.12 -0.86 -0.62 115.31 122.53 1x57 h LEU 32 Ca 0.10 0.03 0.09 0.00 0.13 0.00 0.00 57.88 58.23 1x57 h LEU 32 Cb 0.65 0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 40.76 1x57 h LEU 32 CO 0.04 -0.08 -0.28 0.00 -0.13 0.00 0.00 178.44 177.99 1x57 h ALA 33 N 0.95 -0.07 -0.75 1.25 0.00 -1.03 -1.07 119.26 118.54 1x57 h ALA 33 Ca 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1x57 h ALA 33 Cb 0.13 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1x57 h ALA 33 CO -0.09 -0.66 0.31 1.15 0.00 0.00 0.00 179.25 179.96 1x57 h THR 34 N -0.20 1.25 0.00 0.00 2.02 -1.19 0.15 112.91 114.94 1x57 h THR 34 Ca 0.19 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1x57 h THR 34 Cb 0.51 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1x57 h THR 34 CO -0.54 0.32 0.00 0.29 0.37 0.00 0.00 175.52 175.96 1x57 n LYS 35 N -4.33 0.07 -0.01 6.66 5.02 -0.26 -1.63 118.16 123.68 1x57 n LYS 35 Ca 0.06 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1x57 n LYS 35 Cb 0.17 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 1x57 n LYS 35 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1x57 n ILE 36 N -1.85 0.85 -3.67 -0.18 -5.35 -0.79 -4.75 119.36 103.62 1x57 n ILE 36 Ca -0.00 -0.86 -0.24 0.00 -0.27 0.00 0.00 62.75 61.38 1x57 n ILE 36 Cb 0.05 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1x57 n ILE 36 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x57 n ASN 37 N -0.44 -4.02 -3.61 7.28 2.85 -0.29 -5.03 115.26 112.02 1x57 n ASN 37 Ca 0.01 -0.88 -0.23 0.00 -0.11 0.00 0.00 54.58 53.37 1x57 n ASN 37 Cb 0.31 -1.36 -0.07 0.00 1.24 0.00 0.00 39.78 39.91 1x57 n ASN 37 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1x57 n GLU 38 N -2.59 0.59 -3.53 1.20 -0.58 0.38 -4.99 120.64 111.12 1x57 n GLU 38 Ca -0.26 -3.13 -0.30 0.00 -0.42 0.00 0.00 57.16 53.05 1x57 n GLU 38 Cb 0.58 1.77 -0.04 0.00 -0.57 0.00 0.00 31.44 33.18 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x57 s LYS 39 N -3.40 3.66 0.43 3.49 -0.14 -1.26 -4.15 119.74 118.37 1x57 s LYS 39 Ca 0.20 0.00 0.30 0.00 -1.36 0.00 0.00 55.97 55.11 1x57 s LYS 39 Cb 0.01 -2.75 1.36 0.00 -1.68 0.00 0.00 37.83 34.77 1x57 s LYS 39 CO 0.14 0.36 1.90 -1.00 -0.76 0.00 0.00 175.35 175.99 1x57 h PRO 40 N 2.39 0.00 0.17 -1.68 0.13 -1.89 -2.97 132.00 128.15 1x57 h PRO 40 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1x57 h PRO 40 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x57 h PRO 40 CO 0.70 0.00 -0.08 0.37 -0.23 0.00 0.00 178.00 178.76 1x57 h GLN 41 N 0.00 -0.21 0.00 0.86 5.75 -1.95 -2.90 115.11 116.66 1x57 h GLN 41 Ca 0.00 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1x57 h GLN 41 Cb 0.30 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 1x57 h GLN 41 CO 0.00 0.07 -0.14 -0.39 -2.65 0.00 0.00 178.83 175.73 1x57 h VAL 42 N -0.50 0.86 0.31 2.39 -1.51 -1.95 -2.12 116.25 113.74 1x57 h VAL 42 Ca -0.02 -0.51 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 1x57 h VAL 42 Cb 0.38 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1x57 h VAL 42 CO 0.04 0.13 -0.15 0.40 -1.23 0.00 0.00 177.57 176.76 1x57 h ILE 43 N 0.00 0.71 -1.00 7.19 1.08 -1.60 0.11 117.51 124.00 1x57 h ILE 43 Ca -0.00 -0.13 0.09 0.00 -0.39 0.00 0.00 64.86 64.43 1x57 h ILE 43 Cb 0.28 0.78 -0.07 0.00 -3.07 0.00 0.00 36.82 34.74 1x57 h ILE 43 CO 0.02 0.03 0.64 0.00 -0.69 0.00 0.00 178.15 178.15 1x57 h ALA 44 N 0.18 1.46 -0.04 1.87 0.00 -1.20 -1.79 119.26 119.74 1x57 h ALA 44 Ca -0.04 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1x57 h ALA 44 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1x57 h ALA 44 CO 0.07 0.35 -0.54 -0.44 0.00 0.00 0.00 179.25 178.69 1x57 h ASP 45 N 1.10 0.11 -0.36 0.00 5.19 -1.16 -2.91 116.42 118.39 1x57 h ASP 45 Ca 0.46 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.79 1x57 h ASP 45 Cb 0.31 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1x57 h ASP 45 CO -0.21 0.63 0.15 1.88 -3.12 0.00 0.00 179.24 178.57 1x57 h TYR 46 N 0.08 0.54 -0.38 4.55 0.05 0.04 0.11 116.97 121.96 1x57 h TYR 46 Ca -0.00 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.77 1x57 h TYR 46 Cb 0.98 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 1x57 h TYR 46 CO 0.01 0.49 0.25 0.93 -1.05 0.00 0.00 178.16 178.79 1x57 h GLU 47 N 0.43 0.37 0.00 4.88 5.08 -1.20 -1.44 114.58 122.71 1x57 h GLU 47 Ca 0.12 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1x57 h GLU 47 Cb 0.17 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1x57 h GLU 47 CO -0.01 0.25 -0.57 0.77 -1.00 0.00 0.00 179.01 178.45 1x57 h SER 48 N 0.38 0.00 0.00 1.42 0.02 -1.35 -3.37 113.55 110.65 1x57 h SER 48 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1x57 h SER 48 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1x57 h SER 48 CO -0.04 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 1x57 n GLY 49 N 1.21 0.77 0.12 -3.77 0.00 -0.47 -4.92 105.19 98.13 1x57 n GLY 49 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1x57 n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x57 h ARG 50 N 3.90 0.28 -6.78 1.61 3.08 -1.10 -3.41 114.38 111.94 1x57 h ARG 50 Ca 0.00 -0.14 -0.53 0.00 0.07 0.00 0.00 59.98 59.38 1x57 h ARG 50 Cb 0.00 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.13 1x57 h ARG 50 CO 0.00 0.67 0.87 0.00 -1.07 0.00 0.00 179.97 180.44 1x57 s ALA 51 N -4.35 3.74 -0.07 0.04 0.00 -0.96 -4.93 121.76 115.22 1x57 s ALA 51 Ca -0.14 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 1x57 s ALA 51 Cb 0.05 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1x57 s ALA 51 CO 0.73 -0.94 1.55 0.42 0.00 0.00 0.00 175.76 177.53 1x57 s ILE 52 N 0.06 3.73 -0.23 0.00 -1.09 -1.26 -4.71 121.20 117.71 1x57 s ILE 52 Ca 0.63 0.91 -0.29 0.00 -2.23 0.00 0.00 60.65 59.67 1x57 s ILE 52 Cb -0.47 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 1x57 s ILE 52 CO 0.46 -0.07 1.52 -2.16 -1.23 0.00 0.00 174.94 173.45 1x57 s PRO 53 N 3.80 3.87 -0.23 2.79 0.04 -1.26 -4.99 135.00 139.01 1x57 s PRO 53 Ca 0.69 1.58 -0.07 0.00 0.04 0.00 0.00 61.00 63.24 1x57 s PRO 53 Cb -0.31 -3.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 1x57 s PRO 53 CO 0.26 -1.19 0.06 1.21 0.04 0.00 0.00 177.00 177.38 1x57 s ASN 54 N 3.67 5.15 0.60 6.66 3.84 -1.26 -5.00 114.94 128.60 1x57 s ASN 54 Ca 0.67 -0.17 0.30 0.00 0.21 0.00 0.00 52.86 53.87 1x57 s ASN 54 Cb -0.23 -1.91 1.66 0.00 -0.55 0.00 0.00 41.25 40.22 1x57 s ASN 54 CO 0.27 0.01 2.06 -0.55 -2.79 0.00 0.00 177.10 176.10 1x57 h ASN 55 N 7.89 0.00 0.56 -4.21 7.08 -1.98 0.67 115.58 125.59 1x57 h ASN 55 Ca -0.37 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 52.82 1x57 h ASN 55 Cb 1.18 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.42 1x57 h ASN 55 CO 0.60 0.00 -0.27 1.56 -2.08 0.00 0.00 177.43 177.24 1x57 h GLN 56 N 0.00 -0.72 -0.26 4.14 4.20 -1.99 -0.98 115.11 119.50 1x57 h GLN 56 Ca 0.10 0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.68 1x57 h GLN 56 Cb 0.61 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 1x57 h GLN 56 CO -0.00 -0.45 -0.55 0.28 -0.67 0.00 0.00 178.83 177.44 1x57 h VAL 57 N -0.83 1.29 -0.67 -0.54 2.07 -1.58 -2.26 116.25 113.73 1x57 h VAL 57 Ca -0.08 -1.75 0.14 0.00 0.82 0.00 0.00 66.70 65.83 1x57 h VAL 57 Cb 0.61 1.67 -0.10 0.00 -1.52 0.00 0.00 31.29 31.95 1x57 h VAL 57 CO 0.13 0.56 0.14 -0.07 0.02 0.00 0.00 177.57 178.35 1x57 h LEU 58 N 0.60 -0.01 -0.40 2.57 3.38 -0.97 -0.11 115.31 120.36 1x57 h LEU 58 Ca 0.01 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1x57 h LEU 58 Cb 1.14 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 1x57 h LEU 58 CO 0.12 -0.02 0.18 1.23 0.09 0.00 0.00 178.44 180.04 1x57 h GLY 59 N 0.26 0.53 0.79 0.83 0.00 -0.64 0.18 103.07 105.02 1x57 h GLY 59 Ca 0.36 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1x57 h GLY 59 CO -0.46 0.08 0.40 0.50 0.00 0.00 0.00 176.54 177.06 1x57 h LYS 60 N 0.38 0.75 -0.39 4.80 1.57 -0.72 -1.99 116.57 120.97 1x57 h LYS 60 Ca 0.17 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1x57 h LYS 60 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1x57 h LYS 60 CO -0.14 0.49 -0.05 0.82 -0.57 0.00 0.00 179.45 180.01 1x57 h ILE 61 N 0.77 1.23 -0.01 1.86 2.04 -0.20 -1.09 117.51 122.11 1x57 h ILE 61 Ca 0.28 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1x57 h ILE 61 Cb 0.09 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 1x57 h ILE 61 CO -0.14 0.34 0.01 -0.33 0.00 0.00 0.00 178.15 178.02 1x57 h GLU 62 N 0.61 0.01 -0.34 2.37 5.08 0.03 -0.82 114.58 121.51 1x57 h GLU 62 Ca 0.12 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1x57 h GLU 62 Cb 0.46 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1x57 h GLU 62 CO 0.02 0.01 0.24 0.00 -1.00 0.00 0.00 179.01 178.28 1x57 h ARG 63 N 0.01 0.15 0.24 2.33 3.08 -1.18 0.27 114.38 119.28 1x57 h ARG 63 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1x57 h ARG 63 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1x57 h ARG 63 CO -0.00 0.10 -0.11 0.00 -1.07 0.00 0.00 179.97 178.88 1x57 h ALA 64 N 1.82 -0.32 0.00 0.04 0.00 0.14 -3.30 119.26 117.65 1x57 h ALA 64 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x57 h ALA 64 Cb 0.42 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1x57 h ALA 64 CO -0.02 -0.49 -0.83 0.44 0.00 0.00 0.00 179.25 178.35 1x57 n ILE 65 N -5.07 0.40 -1.78 0.00 -5.35 -0.63 -4.98 119.36 101.96 1x57 n ILE 65 Ca -0.09 -0.36 -0.02 0.00 -0.27 0.00 0.00 62.75 62.01 1x57 n ILE 65 Cb 0.25 -0.13 -0.00 0.00 -1.74 0.00 0.00 39.64 38.02 1x57 n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x57 n GLY 66 N 1.29 0.35 3.17 3.28 0.00 0.93 -4.95 105.19 109.26 1x57 n GLY 66 Ca 0.02 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1x57 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 67 N -0.59 1.83 0.39 0.99 1.43 -1.06 -3.25 118.68 118.42 1x57 s LEU 67 Ca 0.00 -0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 51.95 1x57 s LEU 67 Cb 0.00 0.63 -0.09 0.00 0.03 0.00 0.00 46.19 46.76 1x57 s LEU 67 CO 0.00 -0.70 1.24 -0.54 0.23 0.00 0.00 176.35 176.58 1x57 s LYS 68 N -3.92 4.08 -0.00 1.70 1.02 0.98 -4.26 119.74 119.33 1x57 s LYS 68 Ca 0.10 2.01 0.03 0.00 0.02 0.00 0.00 55.97 58.13 1x57 s LYS 68 Cb 0.06 -2.78 0.07 0.00 -0.52 0.00 0.00 37.83 34.66 1x57 s LYS 68 CO -0.08 -0.35 1.06 1.28 -0.92 0.00 0.00 175.35 176.34 1x57 n LEU 69 N 0.23 2.20 -4.06 3.17 7.99 -1.26 -0.93 117.00 124.33 1x57 n LEU 69 Ca 0.03 -2.04 -0.08 0.00 -0.01 0.00 0.00 56.01 53.92 1x57 n LEU 69 Cb 0.45 -0.06 -0.10 0.00 -0.11 0.00 0.00 43.42 43.59 1x57 n LEU 69 CO 0.54 0.55 -0.36 -0.13 -1.51 0.00 0.00 177.39 176.48 1x57 s ARG 70 N -1.06 0.54 0.13 3.23 0.52 -1.26 -4.87 118.95 116.18 1x57 s ARG 70 Ca 0.06 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.21 1x57 s ARG 70 Cb 0.03 0.16 0.00 0.00 0.52 0.00 0.00 34.95 35.67 1x57 s ARG 70 CO 0.03 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.67 1x57 n GLY 71 N 0.51 -2.27 0.12 -3.53 0.00 -1.26 -4.03 105.19 94.73 1x57 n GLY 71 Ca -0.17 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.58 1x57 n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x57 n LYS 72 N -2.89 0.17 0.00 1.61 4.81 -1.26 -2.14 118.16 118.45 1x57 n LYS 72 Ca -0.01 0.42 0.01 0.00 -0.87 0.00 0.00 58.31 57.86 1x57 n LYS 72 Cb 0.17 -1.83 0.04 0.00 0.02 0.00 0.00 35.03 33.43 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1x57 n ASP 73 N -2.15 0.00 -4.60 3.14 9.92 -1.26 -4.89 116.55 116.71 1x57 n ASP 73 Ca 0.02 -0.45 -0.47 0.00 -0.53 0.00 0.00 54.79 53.36 1x57 n ASP 73 Cb 0.20 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x57 n ILE 74 N -0.59 1.18 -0.52 0.53 3.06 -0.91 -1.26 119.36 120.84 1x57 n ILE 74 Ca 0.01 -0.30 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 1x57 n ILE 74 Cb 0.00 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.16 1x57 n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1x57 n GLY 75 N 1.84 1.87 3.77 4.50 0.00 -0.11 -4.96 105.19 112.11 1x57 n GLY 75 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1x57 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 s LYS 76 N -0.02 3.04 1.04 1.61 -0.14 -0.39 -4.75 119.74 120.12 1x57 s LYS 76 Ca 0.00 1.46 -0.12 0.00 -1.36 0.00 0.00 55.97 55.95 1x57 s LYS 76 Cb 0.00 -1.98 0.21 0.00 -1.68 0.00 0.00 37.83 34.38 1x57 s LYS 76 CO 0.00 -1.07 1.08 -1.25 -0.76 0.00 0.00 175.35 173.35 1x57 s PRO 77 N -3.79 0.12 -0.29 -1.68 0.04 -1.26 -0.02 135.00 128.12 1x57 s PRO 77 Ca 0.69 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 62.31 1x57 s PRO 77 Cb -0.21 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1x57 s PRO 77 CO 0.36 -2.97 0.09 0.96 0.04 0.00 0.00 177.00 175.47 1x57 s ILE 78 N -2.81 4.09 0.04 0.56 -4.36 -1.20 -4.32 121.20 113.19 1x57 s ILE 78 Ca 0.66 -0.60 0.00 0.00 -0.26 0.00 0.00 60.65 60.45 1x57 s ILE 78 Cb -0.20 -3.08 0.00 0.00 1.25 0.00 0.00 42.46 40.43 1x57 s ILE 78 CO 0.59 0.11 0.00 -0.62 0.24 0.00 0.00 174.94 175.26 1x57 n GLU 79 N 4.89 -0.31 -3.94 0.37 1.02 -1.26 -4.91 120.64 116.50 1x57 n GLU 79 Ca -0.15 0.21 -0.30 0.00 -0.02 0.00 0.00 57.16 56.90 1x57 n GLU 79 Cb 0.49 -0.38 -0.01 0.00 -0.02 0.00 0.00 31.44 31.52 1x57 n GLU 79 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1x57 n LYS 80 N -2.09 -2.21 -3.07 3.49 4.81 -1.26 -4.79 118.16 113.04 1x57 n LYS 80 Ca 0.00 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1x57 n LYS 80 Cb 0.07 -4.11 0.00 0.00 0.02 0.00 0.00 35.03 31.01 1x57 n LYS 80 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x57 n GLY 81 N -1.99 -1.07 3.55 3.14 0.00 -1.26 -5.10 105.19 102.47 1x57 n GLY 81 Ca -0.24 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1x57 n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 82 N -0.13 2.67 -0.12 1.61 0.04 -1.26 -4.90 135.00 132.90 1x57 s PRO 82 Ca 0.00 0.69 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 1x57 s PRO 82 Cb 0.00 -4.38 0.04 0.00 0.04 0.00 0.00 34.50 30.20 1x57 s PRO 82 CO 0.00 -2.68 0.37 0.50 0.04 0.00 0.00 177.00 175.23 1x57 s ARG 83 N 6.96 0.48 -0.01 4.56 3.00 -1.26 -5.03 118.95 127.66 1x57 s ARG 83 Ca 0.69 0.42 0.02 0.00 -1.00 0.00 0.00 55.73 55.86 1x57 s ARG 83 Cb -0.13 0.23 -0.00 0.00 0.00 0.00 0.00 34.95 35.05 1x57 s ARG 83 CO 0.22 -0.08 -0.08 0.00 0.00 0.00 0.00 175.30 175.37 1x57 s ALA 84 N -0.05 0.69 -0.17 6.12 0.00 -1.26 -5.12 121.76 121.98 1x57 s ALA 84 Ca -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.59 1x57 s ALA 84 Cb -0.03 -0.22 0.08 0.00 0.00 0.00 0.00 23.12 22.95 1x57 s ALA 84 CO 0.01 0.14 0.22 0.15 0.00 0.00 0.00 175.76 176.28 1x57 s LYS 85 N 0.00 0.15 -0.01 0.00 1.02 -1.26 -5.03 119.74 114.62 1x57 s LYS 85 Ca 0.00 0.36 0.24 0.00 0.02 0.00 0.00 55.97 56.59 1x57 s LYS 85 Cb -0.05 -0.84 0.41 0.00 -0.52 0.00 0.00 37.83 36.83 1x57 s LYS 85 CO -0.00 -0.53 1.16 0.43 -0.92 0.00 0.00 175.35 175.50 1x57 n SER 86 N 5.33 1.00 -3.61 2.83 7.64 -1.26 -5.07 113.62 120.47 1x57 n SER 86 Ca -0.05 -2.10 -0.10 0.00 1.01 0.00 0.00 58.87 57.62 1x57 n SER 86 Cb 0.50 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 1x57 n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x57 s GLY 87 N -2.02 -0.33 0.57 0.23 0.00 -1.26 -5.16 107.32 99.34 1x57 s GLY 87 Ca 0.33 0.08 -0.19 0.00 0.00 0.00 0.00 44.72 44.94 1x57 s GLY 87 CO -0.16 -0.08 1.13 2.56 0.00 0.00 0.00 173.10 176.56 1x57 s PRO 88 N -3.82 3.22 0.13 2.90 0.04 -1.26 -5.01 135.00 131.20 1x57 s PRO 88 Ca 0.05 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1x57 s PRO 88 Cb -0.01 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1x57 s PRO 88 CO -0.07 -0.95 1.25 0.45 0.04 0.00 0.00 177.00 177.72 1x57 s SER 89 N -1.88 7.00 0.61 6.66 0.15 -1.26 -5.00 113.70 119.98 1x57 s SER 89 Ca 0.72 2.20 -0.19 0.00 0.70 0.00 0.00 55.95 59.38 1x57 s SER 89 Cb -0.24 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.45 1x57 s SER 89 CO 0.30 -0.49 1.32 -0.44 1.20 0.00 0.00 173.24 175.14 1x57 s SER 90 N 0.67 4.83 0.00 5.45 0.01 -1.26 -5.30 113.70 118.11 1x57 s SER 90 Ca 0.58 2.69 0.00 0.00 1.31 0.00 0.00 55.95 60.53 1x57 s SER 90 Cb -0.33 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.27 1x57 s SER 90 CO 0.33 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 172.73