#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a57 s LYS 14 N 0.00 1.36 -0.40 3.23 -0.14 -1.26 -4.44 119.74 118.09 2a57 s LYS 14 Ca 0.00 -0.93 0.06 0.00 -1.36 0.00 0.00 55.97 53.74 2a57 s LYS 14 Cb 0.00 -1.47 0.21 0.00 -1.68 0.00 0.00 37.83 34.89 2a57 s LYS 14 CO 0.00 0.38 0.46 0.41 -0.76 0.00 0.00 175.35 175.83 2a57 n GLY 15 N 1.85 2.40 0.26 -3.33 0.00 0.78 -4.96 105.19 102.18 2a57 n GLY 15 Ca -0.17 -1.37 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 2a57 n GLY 15 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a57 h PRO 16 N 4.72 0.47 -0.17 1.61 0.11 -1.75 -2.74 132.00 134.26 2a57 h PRO 16 Ca 0.15 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2a57 h PRO 16 Cb 0.90 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2a57 h PRO 16 CO 0.41 0.58 0.00 0.39 -0.21 0.00 0.00 178.00 179.17 2a57 n GLU 17 N -4.23 1.52 -2.90 1.05 1.02 -1.26 -4.36 120.64 111.47 2a57 n GLU 17 Ca 0.01 -0.79 -0.40 0.00 -0.02 0.00 0.00 57.16 55.96 2a57 n GLU 17 Cb 0.30 -1.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 2a57 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2a57 s LEU 18 N -1.33 4.58 -0.20 -4.62 1.43 -1.03 -5.05 118.68 112.46 2a57 s LEU 18 Ca 0.24 1.71 -0.04 0.00 -1.03 0.00 0.00 54.13 55.02 2a57 s LEU 18 Cb 0.13 -3.39 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 2a57 s LEU 18 CO 0.19 0.15 -0.04 -0.13 0.23 0.00 0.00 176.35 176.74 2a57 s ARG 19 N -0.90 3.44 -0.04 1.70 0.52 -1.26 -4.74 118.95 117.67 2a57 s ARG 19 Ca 0.38 -0.60 0.06 0.00 -0.52 0.00 0.00 55.73 55.05 2a57 s ARG 19 Cb -0.24 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 2a57 s ARG 19 CO 0.28 -0.09 -0.21 0.42 0.02 0.00 0.00 175.30 175.71 2a57 s ILE 20 N 1.22 2.46 -0.06 1.52 -1.09 0.04 0.00 121.20 125.29 2a57 s ILE 20 Ca 0.03 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.52 2a57 s ILE 20 Cb -0.14 -1.91 -0.03 0.00 -1.58 0.00 0.00 42.46 38.80 2a57 s ILE 20 CO -0.01 0.58 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.97 2a57 s LEU 21 N -0.58 3.01 -0.17 2.97 2.96 -0.55 -1.01 118.68 125.30 2a57 s LEU 21 Ca 0.09 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2a57 s LEU 21 Cb -0.11 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.99 2a57 s LEU 21 CO 0.00 0.35 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.75 2a57 s ILE 22 N -0.79 0.82 -0.11 6.68 1.01 -0.12 -0.71 121.20 127.98 2a57 s ILE 22 Ca 0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2a57 s ILE 22 Cb -0.11 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 2a57 s ILE 22 CO 0.01 -0.01 -0.08 -0.69 0.00 0.00 0.00 174.94 174.18 2a57 s VAL 23 N 1.74 3.58 0.02 2.92 1.01 -0.70 -1.21 120.40 127.76 2a57 s VAL 23 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2a57 s VAL 23 Cb -0.16 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2a57 s VAL 23 CO -0.07 0.55 -0.03 -1.38 0.00 0.00 0.00 175.10 174.16 2a57 s HIS 24 N -0.17 0.30 0.86 5.22 -3.43 -1.10 -0.77 115.29 116.21 2a57 s HIS 24 Ca 0.02 -0.46 -0.10 0.00 -0.80 0.00 0.00 55.06 53.72 2a57 s HIS 24 Cb -0.13 -0.20 0.17 0.00 -1.43 0.00 0.00 32.58 30.98 2a57 s HIS 24 CO 0.03 -0.15 1.19 0.00 -2.00 0.00 0.00 174.74 173.81 2a57 s ALA 25 N -1.26 2.84 -0.71 -1.38 0.00 -0.49 -1.41 121.76 119.35 2a57 s ALA 25 Ca -0.13 -1.41 0.06 0.00 0.00 0.00 0.00 51.96 50.48 2a57 s ALA 25 Cb -0.09 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.61 2a57 s ALA 25 CO -0.01 -2.03 0.66 0.54 0.00 0.00 0.00 175.76 174.93 2a57 n ARG 26 N -3.38 0.06 -2.42 0.00 1.74 0.57 -4.80 116.66 108.43 2a57 n ARG 26 Ca 0.15 -0.81 -0.35 0.00 -0.77 0.00 0.00 57.85 56.07 2a57 n ARG 26 Cb 0.60 -1.09 -0.02 0.00 -1.02 0.00 0.00 32.46 30.92 2a57 n ARG 26 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2a57 s TYR 27 N -0.53 2.91 -1.48 -1.55 1.51 -1.22 -3.28 117.35 113.71 2a57 s TYR 27 Ca 0.07 1.57 -0.09 0.00 -1.01 0.00 0.00 57.07 57.61 2a57 s TYR 27 Cb 0.05 -3.19 0.06 0.00 -0.11 0.00 0.00 41.96 38.77 2a57 s TYR 27 CO 0.08 -1.13 0.80 0.09 -1.11 0.00 0.00 175.55 174.29 2a57 n ASN 28 N -0.89 -3.02 0.14 2.29 4.13 -1.26 -4.65 115.26 111.99 2a57 n ASN 28 Ca 0.09 -0.86 0.19 0.00 1.68 0.00 0.00 54.58 55.69 2a57 n ASN 28 Cb 0.51 -3.65 0.76 0.00 -1.54 0.00 0.00 39.78 35.86 2a57 n ASN 28 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2a57 h LEU 29 N -1.92 0.00 -1.91 3.41 5.85 -1.91 0.22 115.31 119.06 2a57 h LEU 29 Ca -0.60 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.10 2a57 h LEU 29 Cb 1.37 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2a57 h LEU 29 CO 0.65 0.00 -0.09 -0.61 -0.34 0.00 0.00 178.44 178.05 2a57 h GLN 30 N 0.00 0.00 0.00 1.25 4.15 -1.91 -2.54 115.11 116.06 2a57 h GLN 30 Ca 0.16 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.21 2a57 h GLN 30 Cb 0.99 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.61 2a57 h GLN 30 CO -0.00 0.09 -2.41 0.00 -1.93 0.00 0.00 178.83 174.58 2a57 n ALA 31 N -2.21 1.49 0.25 3.38 0.00 0.04 -4.54 120.51 118.91 2a57 n ALA 31 Ca -0.01 -1.30 -0.16 0.00 0.00 0.00 0.00 53.44 51.97 2a57 n ALA 31 Cb 0.24 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 2a57 n ALA 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2a57 h ILE 32 N 0.00 0.38 -0.34 0.00 1.08 -1.25 -3.19 117.51 114.19 2a57 h ILE 32 Ca -0.56 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 63.98 2a57 h ILE 32 Cb 2.19 0.38 -0.08 0.00 -3.07 0.00 0.00 36.82 36.23 2a57 h ILE 32 CO 0.01 0.00 -0.38 -0.33 -0.69 0.00 0.00 178.15 176.76 2a57 h GLU 33 N -0.70 -0.32 -0.86 2.37 5.08 -1.70 -0.72 114.58 117.74 2a57 h GLU 33 Ca -0.04 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2a57 h GLU 33 Cb 0.60 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 2a57 h GLU 33 CO 0.01 -0.21 0.56 -1.35 -1.00 0.00 0.00 179.01 177.02 2a57 h PRO 34 N -0.33 0.60 0.22 2.33 0.11 -1.80 -0.46 132.00 132.67 2a57 h PRO 34 Ca 0.14 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 2a57 h PRO 34 Cb 0.57 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2a57 h PRO 34 CO -0.51 0.40 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.50 2a57 h LEU 35 N 0.62 -0.24 -0.14 2.35 3.38 -1.17 -0.82 115.31 119.29 2a57 h LEU 35 Ca 0.43 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.26 2a57 h LEU 35 Cb 0.75 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2a57 h LEU 35 CO -0.18 0.05 -0.12 0.58 0.09 0.00 0.00 178.44 178.86 2a57 h VAL 36 N -0.55 0.67 -0.06 1.22 2.07 -0.55 -1.31 116.25 117.73 2a57 h VAL 36 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2a57 h VAL 36 Cb 0.41 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2a57 h VAL 36 CO 0.05 0.00 -0.39 0.11 0.02 0.00 0.00 177.57 177.36 2a57 h LYS 37 N -0.13 -0.49 -0.98 1.57 6.56 -1.06 0.20 116.57 122.24 2a57 h LYS 37 Ca 0.09 0.03 0.14 0.00 -1.06 0.00 0.00 60.65 59.85 2a57 h LYS 37 Cb 0.26 0.11 -0.09 0.00 -0.57 0.00 0.00 32.23 31.94 2a57 h LYS 37 CO -0.22 -0.33 0.60 0.78 -2.06 0.00 0.00 179.45 178.23 2a57 h GLY 38 N -0.51 1.64 0.92 3.86 0.00 -0.83 0.26 103.07 108.40 2a57 h GLY 38 Ca 0.07 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2a57 h GLY 38 CO -0.34 0.09 0.06 0.00 0.00 0.00 0.00 176.54 176.35 2a57 h ALA 39 N 1.56 0.16 0.56 3.60 0.00 -0.18 -0.40 119.26 124.55 2a57 h ALA 39 Ca 0.51 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 2a57 h ALA 39 Cb 0.60 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2a57 h ALA 39 CO -0.30 -0.29 -0.27 0.28 0.00 0.00 0.00 179.25 178.67 2a57 h VAL 40 N 0.09 0.32 -0.54 0.00 2.07 0.11 -2.32 116.25 115.97 2a57 h VAL 40 Ca 0.04 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.32 2a57 h VAL 40 Cb 0.10 0.43 -0.11 0.00 -1.52 0.00 0.00 31.29 30.19 2a57 h VAL 40 CO -0.01 0.04 -0.18 -0.33 0.02 0.00 0.00 177.57 177.12 2a57 h GLU 41 N -1.01 -0.04 -0.29 1.57 5.08 -0.56 -1.25 114.58 118.08 2a57 h GLU 41 Ca -0.08 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2a57 h GLU 41 Cb 0.64 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2a57 h GLU 41 CO 0.13 -0.03 0.12 1.15 -1.00 0.00 0.00 179.01 179.38 2a57 h THR 42 N -0.04 0.95 -0.21 1.13 2.02 -1.08 0.15 112.91 115.83 2a57 h THR 42 Ca 0.26 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.39 2a57 h THR 42 Cb 0.44 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2a57 h THR 42 CO -0.58 0.05 -0.05 0.24 0.37 0.00 0.00 175.52 175.55 2a57 h MET 43 N 0.27 0.00 0.00 6.66 2.86 -0.75 0.14 114.93 124.11 2a57 h MET 43 Ca 0.13 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2a57 h MET 43 Cb 0.07 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2a57 h MET 43 CO -0.11 0.00 0.00 -0.89 1.06 0.00 0.00 176.91 176.97 2a57 n ILE 44 N -5.20 0.00 -0.36 -1.22 5.41 -0.55 -0.86 119.36 116.57 2a57 n ILE 44 Ca -0.02 0.88 0.29 0.00 1.00 0.00 0.00 62.75 64.90 2a57 n ILE 44 Cb 0.13 -1.70 0.54 0.00 -0.71 0.00 0.00 39.64 37.90 2a57 n ILE 44 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2a57 h GLU 45 N 0.00 0.22 0.00 0.38 5.08 -0.78 -1.31 114.58 118.17 2a57 h GLU 45 Ca 0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2a57 h GLU 45 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2a57 h GLU 45 CO 0.00 0.14 -1.75 1.63 -1.00 0.00 0.00 179.01 178.04 2a57 n LYS 46 N -4.92 0.78 -0.01 2.33 5.02 0.48 -4.68 118.16 117.16 2a57 n LYS 46 Ca 0.33 -0.10 0.02 0.00 -2.02 0.00 0.00 58.31 56.54 2a57 n LYS 46 Cb 1.14 -1.35 0.02 0.00 -0.02 0.00 0.00 35.03 34.82 2a57 n LYS 46 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2a57 n HIS 47 N -2.14 0.03 -3.20 2.13 8.25 -0.04 -4.81 115.22 115.44 2a57 n HIS 47 Ca -0.08 -0.11 -0.15 0.00 -0.26 0.00 0.00 57.72 57.12 2a57 n HIS 47 Cb 0.53 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.70 2a57 n HIS 47 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2a57 n ASP 48 N 0.11 -3.44 -4.83 0.41 10.43 -0.51 -0.15 116.55 118.58 2a57 n ASP 48 Ca 0.02 -0.45 -0.38 0.00 2.57 0.00 0.00 54.79 56.56 2a57 n ASP 48 Cb 0.14 -4.01 -0.06 0.00 1.84 0.00 0.00 41.12 39.02 2a57 n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2a57 s VAL 49 N -3.26 4.87 -0.15 2.53 1.01 -1.10 -3.12 120.40 121.19 2a57 s VAL 49 Ca 0.19 1.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.91 2a57 s VAL 49 Cb -0.08 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2a57 s VAL 49 CO 0.56 0.51 0.86 -0.54 0.00 0.00 0.00 175.10 176.49 2a57 s LYS 50 N -1.24 4.34 0.41 2.72 1.02 -1.26 -4.39 119.74 121.34 2a57 s LYS 50 Ca 0.28 1.09 0.24 0.00 0.02 0.00 0.00 55.97 57.60 2a57 s LYS 50 Cb -0.18 -3.56 1.26 0.00 -0.52 0.00 0.00 37.83 34.84 2a57 s LYS 50 CO 0.17 -0.29 1.69 1.25 -0.92 0.00 0.00 175.35 177.25 2a57 h LEU 51 N 8.13 0.35 -1.26 3.17 6.46 -1.96 1.17 115.31 131.37 2a57 h LEU 51 Ca -0.31 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 2a57 h LEU 51 Cb 1.14 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 2a57 h LEU 51 CO 0.83 -0.07 0.00 -0.33 -0.62 0.00 0.00 178.44 178.26 2a57 h GLU 52 N 0.23 0.00 -0.69 1.25 3.07 -2.00 -2.87 114.58 113.58 2a57 h GLU 52 Ca 0.72 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.58 2a57 h GLU 52 Cb 2.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.95 2a57 h GLU 52 CO -0.38 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.32 2a57 n ASN 53 N -2.96 3.77 -3.91 1.42 5.03 0.40 -4.77 115.26 114.25 2a57 n ASN 53 Ca 0.01 -2.49 -0.30 0.00 0.87 0.00 0.00 54.58 52.67 2a57 n ASN 53 Cb 0.31 -0.57 -0.15 0.00 -1.02 0.00 0.00 39.78 38.35 2a57 n ASN 53 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2a57 s ILE 54 N -1.99 1.54 0.09 2.41 1.01 -1.08 -0.78 121.20 122.39 2a57 s ILE 54 Ca 0.34 -1.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 2a57 s ILE 54 Cb 0.25 -1.96 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 2a57 s ILE 54 CO 0.12 -0.34 0.56 -1.81 0.00 0.00 0.00 174.94 173.48 2a57 s ASP 55 N 1.34 7.01 -0.30 3.58 -0.00 -0.18 -5.00 116.67 123.11 2a57 s ASP 55 Ca 0.01 1.22 0.00 0.00 -0.00 0.00 0.00 52.55 53.78 2a57 s ASP 55 Cb -0.19 -2.34 0.10 0.00 -0.00 0.00 0.00 42.92 40.49 2a57 s ASP 55 CO -0.11 0.24 0.08 -0.63 -0.00 0.00 0.00 175.17 174.75 2a57 s ILE 56 N -1.19 1.14 0.39 0.77 1.01 -1.26 -0.94 121.20 121.12 2a57 s ILE 56 Ca 0.31 -1.51 0.08 0.00 0.00 0.00 0.00 60.65 59.53 2a57 s ILE 56 Cb -0.18 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2a57 s ILE 56 CO 0.19 -0.60 0.46 -1.61 0.00 0.00 0.00 174.94 173.38 2a57 s GLU 57 N 1.49 2.77 0.06 2.79 2.02 -0.35 -5.00 118.70 122.49 2a57 s GLU 57 Ca 0.08 -1.30 -0.09 0.00 0.02 0.00 0.00 54.97 53.68 2a57 s GLU 57 Cb -0.18 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.44 2a57 s GLU 57 CO -0.20 -0.15 0.19 -1.54 0.02 0.00 0.00 175.26 173.58 2a57 s SER 58 N -4.21 0.08 0.22 -0.19 1.04 -1.26 -2.69 113.70 106.68 2a57 s SER 58 Ca 0.49 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.44 2a57 s SER 58 Cb -0.07 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2a57 s SER 58 CO 0.30 -0.64 0.03 0.68 0.98 0.00 0.00 173.24 174.60 2a57 s VAL 59 N -3.19 0.73 0.00 5.02 -7.23 -0.50 -4.91 120.40 110.31 2a57 s VAL 59 Ca -0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2a57 s VAL 59 Cb 0.02 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2a57 s VAL 59 CO -0.07 -0.28 0.76 -2.65 -0.31 0.00 0.00 175.10 172.55 2a57 n PRO 60 N -0.36 0.00 -4.64 4.82 -0.02 -1.26 -2.11 135.00 131.42 2a57 n PRO 60 Ca -0.04 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.57 2a57 n PRO 60 Cb 0.64 -1.26 -0.08 0.00 -0.02 0.00 0.00 33.50 32.77 2a57 n PRO 60 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2a57 s GLY 61 N -0.53 2.76 0.45 -1.23 0.00 -1.26 -0.31 107.32 107.19 2a57 s GLY 61 Ca 0.00 -1.01 0.17 0.00 0.00 0.00 0.00 44.72 43.89 2a57 s GLY 61 CO 0.00 -2.04 1.94 1.76 0.00 0.00 0.00 173.10 174.76 2a57 h SER 62 N 1.60 0.31 -0.66 1.64 0.02 -1.92 -0.49 113.55 114.05 2a57 h SER 62 Ca -0.41 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 60.65 2a57 h SER 62 Cb 1.29 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 2a57 h SER 62 CO 0.69 0.17 0.44 -0.25 -1.14 0.00 0.00 176.83 176.73 2a57 h TRP 63 N 0.34 0.57 0.00 3.45 2.91 -1.96 -1.63 115.95 119.63 2a57 h TRP 63 Ca 0.34 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.37 2a57 h TRP 63 Cb 0.84 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.31 2a57 h TRP 63 CO -0.00 0.28 -0.07 0.39 -1.03 0.00 0.00 178.44 178.01 2a57 n GLU 64 N -4.48 0.06 -0.02 2.65 4.71 -0.19 -4.24 120.64 119.13 2a57 n GLU 64 Ca 0.10 0.04 -0.10 0.00 -0.01 0.00 0.00 57.16 57.20 2a57 n GLU 64 Cb 0.33 -1.56 -0.03 0.00 -1.01 0.00 0.00 31.44 29.16 2a57 n GLU 64 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2a57 h LEU 65 N 0.00 -0.92 -0.64 -4.62 3.38 -1.31 0.30 115.31 111.50 2a57 h LEU 65 Ca 0.00 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2a57 h LEU 65 Cb 0.55 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2a57 h LEU 65 CO 0.00 -0.33 0.40 -0.65 0.09 0.00 0.00 178.44 177.95 2a57 h PRO 66 N -0.34 0.77 -0.58 1.13 0.11 -1.77 -1.01 132.00 130.32 2a57 h PRO 66 Ca 0.11 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 2a57 h PRO 66 Cb 0.51 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2a57 h PRO 66 CO -0.37 0.51 0.06 1.96 -0.21 0.00 0.00 178.00 179.94 2a57 h GLN 67 N 0.80 0.98 -0.35 1.05 4.20 -1.70 -0.68 115.11 119.41 2a57 h GLN 67 Ca 0.25 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2a57 h GLN 67 Cb -0.01 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2a57 h GLN 67 CO -0.09 0.95 0.13 0.78 -0.67 0.00 0.00 178.83 179.93 2a57 h GLY 68 N 0.87 0.57 0.96 3.46 0.00 -0.11 -2.05 103.07 106.77 2a57 h GLY 68 Ca 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2a57 h GLY 68 CO 0.02 0.30 0.18 -2.22 0.00 0.00 0.00 176.54 174.82 2a57 h ILE 69 N 0.42 1.14 -0.21 2.60 2.04 -1.04 -1.51 117.51 120.94 2a57 h ILE 69 Ca 0.12 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.64 2a57 h ILE 69 Cb 0.21 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 2a57 h ILE 69 CO -0.01 0.15 -0.13 -0.09 0.00 0.00 0.00 178.15 178.06 2a57 h ARG 70 N 0.42 -0.12 0.34 2.37 2.43 -0.96 0.30 114.38 119.15 2a57 h ARG 70 Ca 0.12 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2a57 h ARG 70 Cb 0.07 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2a57 h ARG 70 CO -0.02 -0.08 -0.50 0.00 -1.51 0.00 0.00 179.97 177.86 2a57 h ALA 71 N 1.03 -1.08 -0.91 2.80 0.00 -1.18 -2.25 119.26 117.67 2a57 h ALA 71 Ca 0.12 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2a57 h ALA 71 Cb 0.30 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2a57 h ALA 71 CO -0.29 -1.15 0.56 0.77 0.00 0.00 0.00 179.25 179.14 2a57 h SER 72 N -0.87 0.84 -0.18 0.00 0.02 -0.89 -0.46 113.55 112.00 2a57 h SER 72 Ca -0.04 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2a57 h SER 72 Cb 0.80 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2a57 h SER 72 CO -0.15 0.49 0.17 0.40 -1.14 0.00 0.00 176.83 176.60 2a57 h ILE 73 N 0.95 0.62 0.15 3.27 1.08 -0.03 -2.21 117.51 121.34 2a57 h ILE 73 Ca 0.42 0.00 -0.24 0.00 -0.39 0.00 0.00 64.86 64.66 2a57 h ILE 73 Cb 0.32 0.87 0.02 0.00 -3.07 0.00 0.00 36.82 34.96 2a57 h ILE 73 CO -0.22 0.00 -1.11 0.00 -0.69 0.00 0.00 178.15 176.12 2a57 h ALA 74 N 1.84 -0.02 0.86 1.87 0.00 -0.52 -3.39 119.26 119.91 2a57 h ALA 74 Ca 0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 2a57 h ALA 74 Cb 0.42 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2a57 h ALA 74 CO -0.00 0.57 -0.49 0.00 0.00 0.00 0.00 179.25 179.33 2a57 h ARG 75 N -0.27 -1.21 0.00 0.00 2.47 -0.93 -3.46 114.38 110.98 2a57 h ARG 75 Ca -0.21 0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2a57 h ARG 75 Cb 1.76 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 30.36 2a57 h ARG 75 CO 0.14 -0.80 0.00 0.09 0.56 0.00 0.00 179.97 179.96 2a57 n ASN 76 N -5.59 1.48 -4.03 7.04 3.02 -0.95 -5.13 115.26 111.10 2a57 n ASN 76 Ca -0.15 -0.47 -0.26 0.00 -0.03 0.00 0.00 54.58 53.67 2a57 n ASN 76 Cb 0.51 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.52 2a57 n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2a57 s THR 77 N 0.45 1.27 0.21 3.41 2.01 -1.26 -4.72 115.64 117.01 2a57 s THR 77 Ca 0.00 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.53 2a57 s THR 77 Cb 0.00 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 2a57 s THR 77 CO 0.00 0.39 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.90 2a57 s TYR 78 N 0.83 1.68 -0.14 4.92 2.02 -1.26 -4.91 117.35 120.50 2a57 s TYR 78 Ca -0.11 -0.65 0.22 0.00 -0.37 0.00 0.00 57.07 56.17 2a57 s TYR 78 Cb -0.15 -0.84 -0.17 0.00 -0.40 0.00 0.00 41.96 40.40 2a57 s TYR 78 CO 0.02 0.28 0.76 -0.25 -1.57 0.00 0.00 175.55 174.78 2a57 n ASP 79 N -0.39 0.42 -3.54 2.29 9.92 0.10 -4.98 116.55 120.37 2a57 n ASP 79 Ca -0.08 0.16 -0.12 0.00 -0.53 0.00 0.00 54.79 54.22 2a57 n ASP 79 Cb 0.61 1.23 -0.05 0.00 -0.64 0.00 0.00 41.12 42.27 2a57 n ASP 79 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2a57 s ALA 80 N -3.44 -1.86 0.03 2.24 0.00 -1.22 -4.22 121.76 113.29 2a57 s ALA 80 Ca -0.04 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.31 2a57 s ALA 80 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 2a57 s ALA 80 CO 0.85 -0.42 -0.07 0.54 0.00 0.00 0.00 175.76 176.66 2a57 s VAL 81 N -1.65 0.52 -0.16 0.00 0.11 -0.50 -1.49 120.40 117.24 2a57 s VAL 81 Ca -0.02 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2a57 s VAL 81 Cb -0.00 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.30 2a57 s VAL 81 CO 0.01 -0.24 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.71 2a57 s ILE 82 N -1.04 2.18 -0.24 7.04 1.01 0.11 -0.43 121.20 129.84 2a57 s ILE 82 Ca -0.07 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 2a57 s ILE 82 Cb -0.08 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2a57 s ILE 82 CO 0.00 0.54 0.29 -0.83 0.00 0.00 0.00 174.94 174.94 2a57 s GLY 83 N 1.05 1.97 -0.08 6.18 0.00 -0.61 -1.72 107.32 114.12 2a57 s GLY 83 Ca -0.01 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2a57 s GLY 83 CO -0.07 0.73 -0.18 -0.42 0.00 0.00 0.00 173.10 173.16 2a57 s ILE 84 N 1.54 1.60 -0.04 0.90 1.01 0.05 0.32 121.20 126.58 2a57 s ILE 84 Ca 0.13 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2a57 s ILE 84 Cb -0.15 -1.40 0.11 0.00 0.01 0.00 0.00 42.46 41.03 2a57 s ILE 84 CO 0.08 0.46 0.96 -0.83 0.00 0.00 0.00 174.94 175.61 2a57 s GLY 85 N 0.40 -0.42 -0.06 6.18 0.00 -0.52 -1.40 107.32 111.51 2a57 s GLY 85 Ca -0.14 1.09 -0.01 0.00 0.00 0.00 0.00 44.72 45.66 2a57 s GLY 85 CO 0.06 0.36 -0.01 -1.34 0.00 0.00 0.00 173.10 172.17 2a57 s VAL 86 N -2.97 0.38 -0.16 1.40 -7.23 -1.26 -0.71 120.40 109.84 2a57 s VAL 86 Ca 0.06 0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 2a57 s VAL 86 Cb -0.01 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 2a57 s VAL 86 CO -0.08 0.24 0.02 -0.76 -0.31 0.00 0.00 175.10 174.21 2a57 s LEU 87 N 1.61 3.61 -0.10 1.32 1.43 0.96 -4.80 118.68 122.71 2a57 s LEU 87 Ca -0.01 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2a57 s LEU 87 Cb -0.13 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2a57 s LEU 87 CO -0.04 0.20 -0.16 -0.63 0.23 0.00 0.00 176.35 175.95 2a57 s ILE 88 N 0.19 2.80 0.20 -0.59 1.01 -1.26 -1.33 121.20 122.22 2a57 s ILE 88 Ca 0.02 -0.77 -0.33 0.00 0.00 0.00 0.00 60.65 59.57 2a57 s ILE 88 Cb -0.13 -2.13 -0.13 0.00 0.01 0.00 0.00 42.46 40.08 2a57 s ILE 88 CO 0.01 0.55 1.64 1.17 0.00 0.00 0.00 174.94 178.31 2a57 n LYS 89 N 3.23 2.49 0.00 2.79 0.00 -0.32 -4.87 118.16 121.47 2a57 n LYS 89 Ca -0.18 0.90 0.00 0.00 0.00 0.00 0.00 58.31 59.03 2a57 n LYS 89 Cb 0.53 -2.70 0.00 0.00 0.00 0.00 0.00 35.03 32.86 2a57 n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a57 n GLY 90 N 3.56 4.33 0.16 3.14 0.00 -1.26 -4.84 105.19 110.28 2a57 n GLY 90 Ca 0.16 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.44 2a57 n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2a57 h SER 91 N 0.00 0.00 -4.86 1.61 0.02 -2.02 -3.47 113.55 104.82 2a57 h SER 91 Ca 0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 2a57 h SER 91 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2a57 h SER 91 CO 0.00 0.03 -0.08 0.35 -1.14 0.00 0.00 176.83 175.99 2a57 n THR 92 N -2.89 0.00 1.60 -2.27 -2.24 -1.26 -5.02 114.28 102.20 2a57 n THR 92 Ca 0.02 -0.95 0.14 0.00 -2.27 0.00 0.00 64.05 60.98 2a57 n THR 92 Cb 0.56 -0.51 0.61 0.00 -2.10 0.00 0.00 70.33 68.89 2a57 n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2a57 n MET 93 N -1.32 1.51 -0.25 -0.78 0.00 -1.26 -4.25 117.12 110.78 2a57 n MET 93 Ca 0.03 -0.74 0.05 0.00 0.00 0.00 0.00 57.70 57.04 2a57 n MET 93 Cb 0.28 -1.48 0.17 0.00 0.00 0.00 0.00 33.22 32.20 2a57 n MET 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2a57 h HIS 94 N 1.79 0.15 -0.17 2.03 -0.00 -1.97 -1.93 115.15 115.06 2a57 h HIS 94 Ca 0.00 0.05 0.05 0.00 -0.00 0.00 0.00 60.37 60.46 2a57 h HIS 94 Cb 0.38 0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.79 2a57 h HIS 94 CO 0.01 -0.15 -0.15 0.35 -0.00 0.00 0.00 177.93 177.99 2a57 h PHE 95 N 0.20 -0.39 -0.26 5.26 3.57 -1.90 -0.88 116.94 122.54 2a57 h PHE 95 Ca 0.41 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.97 2a57 h PHE 95 Cb 0.71 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 2a57 h PHE 95 CO -0.32 -0.22 0.06 0.93 -2.23 0.00 0.00 178.31 176.53 2a57 h GLU 96 N -0.17 0.15 -0.37 1.11 3.07 -1.67 -1.85 114.58 114.86 2a57 h GLU 96 Ca 0.11 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.84 2a57 h GLU 96 Cb 0.33 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2a57 h GLU 96 CO -0.27 0.10 -0.23 1.88 -1.40 0.00 0.00 179.01 179.09 2a57 h TYR 97 N 0.16 0.95 -0.06 4.33 0.05 -1.18 -2.06 116.97 119.16 2a57 h TYR 97 Ca 0.12 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 2a57 h TYR 97 Cb 0.12 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 2a57 h TYR 97 CO -0.16 1.01 0.03 0.82 -1.05 0.00 0.00 178.16 178.82 2a57 h ILE 98 N 0.61 1.07 -0.28 -2.88 1.08 -1.13 -2.08 117.51 113.89 2a57 h ILE 98 Ca 0.08 -0.18 0.07 0.00 -0.39 0.00 0.00 64.86 64.43 2a57 h ILE 98 Cb 0.79 1.09 -0.07 0.00 -3.07 0.00 0.00 36.82 35.56 2a57 h ILE 98 CO 0.06 0.06 -0.24 0.28 -0.69 0.00 0.00 178.15 177.62 2a57 h SER 99 N 0.02 -0.77 -0.28 1.72 0.02 -1.29 0.29 113.55 113.25 2a57 h SER 99 Ca 0.02 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2a57 h SER 99 Cb 0.06 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2a57 h SER 99 CO -0.00 -0.27 0.17 -0.08 -1.14 0.00 0.00 176.83 175.50 2a57 h GLU 100 N -0.23 0.39 -0.58 3.45 4.81 -1.32 -1.50 114.58 119.60 2a57 h GLU 100 Ca 0.15 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2a57 h GLU 100 Cb 0.46 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2a57 h GLU 100 CO -0.41 0.30 0.20 0.00 -0.73 0.00 0.00 179.01 178.37 2a57 h ALA 101 N 1.06 0.76 -0.36 2.92 0.00 -0.70 -1.92 119.26 121.01 2a57 h ALA 101 Ca 0.10 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2a57 h ALA 101 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2a57 h ALA 101 CO -0.02 0.40 -0.06 0.28 0.00 0.00 0.00 179.25 179.85 2a57 h VAL 102 N 0.81 1.27 -0.66 0.00 2.07 -0.34 -0.08 116.25 119.32 2a57 h VAL 102 Ca 0.19 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 2a57 h VAL 102 Cb 0.25 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2a57 h VAL 102 CO -0.01 0.37 0.23 0.58 0.02 0.00 0.00 177.57 178.75 2a57 h VAL 103 N 0.48 1.25 -0.64 2.57 2.07 -1.18 -0.48 116.25 120.32 2a57 h VAL 103 Ca 0.09 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 2a57 h VAL 103 Cb 0.56 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2a57 h VAL 103 CO 0.03 0.32 0.11 0.45 0.02 0.00 0.00 177.57 178.50 2a57 h HIS 104 N 0.95 1.11 -0.15 1.57 3.86 -1.24 -2.68 115.15 118.57 2a57 h HIS 104 Ca 0.22 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2a57 h HIS 104 Cb 0.27 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2a57 h HIS 104 CO 0.02 0.93 0.08 0.78 0.86 0.00 0.00 177.93 180.60 2a57 h GLY 105 N 1.04 0.20 1.01 2.45 0.00 -0.25 -1.12 103.07 106.39 2a57 h GLY 105 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2a57 h GLY 105 CO 0.01 0.05 0.46 1.41 0.00 0.00 0.00 176.54 178.48 2a57 h LEU 106 N 0.17 0.86 -0.83 3.11 3.38 -1.06 -0.55 115.31 120.38 2a57 h LEU 106 Ca 0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2a57 h LEU 106 Cb 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2a57 h LEU 106 CO -0.03 0.65 0.51 -0.03 0.09 0.00 0.00 178.44 179.63 2a57 h MET 107 N 1.00 1.12 0.13 1.13 4.05 -1.19 -1.92 114.93 119.25 2a57 h MET 107 Ca 0.27 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.58 2a57 h MET 107 Cb -0.07 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 30.49 2a57 h MET 107 CO -0.05 0.78 -0.06 -0.09 0.23 0.00 0.00 176.91 177.72 2a57 h ARG 108 N 1.14 -0.16 -0.92 0.39 2.43 -0.50 -1.48 114.38 115.28 2a57 h ARG 108 Ca 0.30 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.63 2a57 h ARG 108 Cb -0.06 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.45 2a57 h ARG 108 CO -0.06 0.07 0.59 0.28 -1.51 0.00 0.00 179.97 179.34 2a57 h VAL 109 N -0.38 0.83 -0.03 0.20 2.07 -0.95 0.20 116.25 118.19 2a57 h VAL 109 Ca -0.02 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2a57 h VAL 109 Cb 0.31 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2a57 h VAL 109 CO 0.03 0.13 -0.05 1.23 0.02 0.00 0.00 177.57 178.94 2a57 h GLY 110 N 0.74 0.10 1.84 2.17 0.00 -1.17 -2.20 103.07 104.54 2a57 h GLY 110 Ca 0.47 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 2a57 h GLY 110 CO -0.23 0.10 -0.24 1.41 0.00 0.00 0.00 176.54 177.58 2a57 h LEU 111 N -0.40 0.19 -0.03 3.11 3.38 -0.57 0.21 115.31 121.20 2a57 h LEU 111 Ca 0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2a57 h LEU 111 Cb 0.58 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2a57 h LEU 111 CO 0.01 0.44 -0.15 0.44 0.09 0.00 0.00 178.44 179.27 2a57 h ASP 112 N 0.18 0.18 1.01 -0.43 3.32 -0.66 -3.33 116.42 116.69 2a57 h ASP 112 Ca 0.03 -0.67 -0.12 0.00 0.02 0.00 0.00 57.03 56.29 2a57 h ASP 112 Cb 0.52 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2a57 h ASP 112 CO 0.04 0.82 -0.59 0.77 -1.72 0.00 0.00 179.24 178.55 2a57 h SER 113 N -0.44 0.00 0.00 6.45 4.64 -1.31 -3.47 113.55 119.42 2a57 h SER 113 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2a57 h SER 113 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2a57 h SER 113 CO 0.03 0.59 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 2a57 n GLY 114 N 0.74 1.31 3.71 -0.77 0.00 0.05 -5.02 105.19 105.21 2a57 n GLY 114 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2a57 n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a57 s VAL 115 N -3.08 5.18 0.21 1.61 1.01 -1.22 -5.03 120.40 119.09 2a57 s VAL 115 Ca 0.00 0.90 -0.32 0.00 0.00 0.00 0.00 61.98 62.56 2a57 s VAL 115 Cb 0.00 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.46 2a57 s VAL 115 CO 0.00 0.30 1.65 -2.65 0.00 0.00 0.00 175.10 174.40 2a57 n PRO 116 N 3.94 2.56 -4.11 2.72 -0.02 -1.26 -4.50 135.00 134.33 2a57 n PRO 116 Ca -0.07 0.92 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 2a57 n PRO 116 Cb 0.51 -2.73 -0.16 0.00 -0.02 0.00 0.00 33.50 31.10 2a57 n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2a57 s VAL 117 N 0.89 2.06 -0.04 -1.45 1.01 -1.26 -1.41 120.40 120.19 2a57 s VAL 117 Ca 0.74 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 2a57 s VAL 117 Cb -0.56 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 2a57 s VAL 117 CO 0.37 0.47 0.51 -0.63 0.00 0.00 0.00 175.10 175.81 2a57 s ILE 118 N 1.27 5.03 -0.50 2.22 1.09 0.43 -4.98 121.20 125.76 2a57 s ILE 118 Ca 0.03 1.05 -0.24 0.00 -1.10 0.00 0.00 60.65 60.39 2a57 s ILE 118 Cb -0.14 -3.84 0.03 0.00 -1.06 0.00 0.00 42.46 37.45 2a57 s ILE 118 CO -0.12 0.42 0.90 -0.22 -0.10 0.00 0.00 174.94 175.82 2a57 s LEU 119 N -0.08 4.12 -0.40 2.97 2.96 -1.26 -1.57 118.68 125.42 2a57 s LEU 119 Ca 0.28 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 2a57 s LEU 119 Cb -0.17 -2.96 0.45 0.00 0.50 0.00 0.00 46.19 44.01 2a57 s LEU 119 CO 0.14 -1.10 1.36 0.61 -1.32 0.00 0.00 176.35 176.03 2a57 n GLY 120 N 5.04 6.24 3.65 7.98 0.00 0.15 -4.96 105.19 123.28 2a57 n GLY 120 Ca 0.03 -2.61 -0.36 0.00 0.00 0.00 0.00 46.02 43.08 2a57 n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a57 s LEU 121 N -3.65 4.02 -0.18 0.99 0.20 -1.24 -1.43 118.68 117.38 2a57 s LEU 121 Ca 0.53 0.09 -0.05 0.00 0.69 0.00 0.00 54.13 55.39 2a57 s LEU 121 Cb 0.43 -2.06 -0.03 0.00 -0.43 0.00 0.00 46.19 44.10 2a57 s LEU 121 CO -0.01 0.09 0.00 -0.76 -0.29 0.00 0.00 176.35 175.38 2a57 s LEU 122 N 0.89 3.37 -0.51 -0.68 1.43 0.11 -4.95 118.68 118.33 2a57 s LEU 122 Ca 0.07 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2a57 s LEU 122 Cb -0.13 -1.84 0.13 0.00 0.03 0.00 0.00 46.19 44.38 2a57 s LEU 122 CO 0.03 0.12 0.26 0.42 0.23 0.00 0.00 176.35 177.41 2a57 s THR 123 N 0.67 2.51 0.35 5.49 -4.23 -1.26 -0.03 115.64 119.15 2a57 s THR 123 Ca -0.00 -3.28 0.08 0.00 -1.18 0.00 0.00 61.69 57.31 2a57 s THR 123 Cb -0.14 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 2a57 s THR 123 CO 0.02 -0.81 0.17 0.68 -0.54 0.00 0.00 174.62 174.14 2a57 s VAL 124 N -0.26 2.95 -0.06 2.29 -7.23 -0.44 -5.01 120.40 112.64 2a57 s VAL 124 Ca 0.17 -1.66 0.13 0.00 -1.81 0.00 0.00 61.98 58.82 2a57 s VAL 124 Cb -0.26 -2.99 -0.11 0.00 0.56 0.00 0.00 36.38 33.58 2a57 s VAL 124 CO 0.00 -0.15 1.10 -0.07 -0.31 0.00 0.00 175.10 175.67 2a57 h LEU 125 N 1.49 0.00 -7.24 1.32 -0.00 -1.93 -0.85 115.31 108.10 2a57 h LEU 125 Ca -0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.41 2a57 h LEU 125 Cb 1.25 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.79 2a57 h LEU 125 CO 0.63 0.72 0.04 0.54 -0.00 0.00 0.00 178.44 180.37 2a57 s ASN 126 N -6.27 -0.36 0.30 -0.43 2.20 -1.26 -4.11 114.94 105.01 2a57 s ASN 126 Ca -0.00 -0.19 0.06 0.00 -0.94 0.00 0.00 52.86 51.79 2a57 s ASN 126 Cb 0.09 0.52 0.75 0.00 -2.00 0.00 0.00 41.25 40.61 2a57 s ASN 126 CO 0.80 -0.89 1.77 -0.08 -2.94 0.00 0.00 177.10 175.75 2a57 h GLU 127 N 2.24 0.72 -0.33 3.55 4.57 -1.97 -1.63 114.58 121.72 2a57 h GLU 127 Ca -0.34 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 57.86 2a57 h GLU 127 Cb 1.28 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 2a57 h GLU 127 CO 0.43 0.48 0.01 0.93 -1.18 0.00 0.00 179.01 179.68 2a57 h GLU 128 N 0.74 0.10 -0.50 1.92 3.07 -1.99 -0.03 114.58 117.89 2a57 h GLU 128 Ca 0.59 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.53 2a57 h GLU 128 Cb 0.93 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.79 2a57 h GLU 128 CO -0.40 0.07 0.34 1.96 -1.40 0.00 0.00 179.01 179.58 2a57 h GLN 129 N 0.10 0.31 0.28 2.33 4.20 -1.72 -0.41 115.11 120.20 2a57 h GLN 129 Ca 0.16 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2a57 h GLN 129 Cb 0.22 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2a57 h GLN 129 CO -0.27 0.20 -0.13 0.00 -0.67 0.00 0.00 178.83 177.96 2a57 h ALA 130 N 1.74 -0.37 -0.99 3.87 0.00 -0.98 -2.79 119.26 119.73 2a57 h ALA 130 Ca 0.23 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2a57 h ALA 130 Cb 0.49 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2a57 h ALA 130 CO -0.05 -0.47 0.63 -0.07 0.00 0.00 0.00 179.25 179.29 2a57 h LEU 131 N -0.85 0.95 -1.00 0.00 3.38 -0.73 -0.54 115.31 116.51 2a57 h LEU 131 Ca -0.04 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2a57 h LEU 131 Cb 0.51 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2a57 h LEU 131 CO 0.06 0.54 0.66 0.22 0.09 0.00 0.00 178.44 180.02 2a57 h TYR 132 N 1.04 1.25 -0.00 1.13 3.20 -1.09 -0.42 116.97 122.08 2a57 h TYR 132 Ca 0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.37 2a57 h TYR 132 Cb 0.38 -0.42 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2a57 h TYR 132 CO -0.00 0.77 -0.06 0.54 -1.64 0.00 0.00 178.16 177.77 2a57 n ARG 133 N -4.40 0.21 -0.23 1.82 1.74 -0.32 -2.64 116.66 112.83 2a57 n ARG 133 Ca 0.12 -0.03 0.09 0.00 -0.77 0.00 0.00 57.85 57.27 2a57 n ARG 133 Cb 0.04 -1.50 0.25 0.00 -1.02 0.00 0.00 32.46 30.22 2a57 n ARG 133 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2a57 n ALA 134 N -1.37 2.43 -0.13 7.54 0.00 -0.25 -1.22 120.51 127.50 2a57 n ALA 134 Ca 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2a57 n ALA 134 Cb 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2a57 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a57 n GLY 135 N 1.33 1.04 3.92 0.00 0.00 -1.06 -4.54 105.19 105.87 2a57 n GLY 135 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2a57 n GLY 135 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a57 s LEU 136 N 0.00 2.65 -1.78 0.99 1.02 -0.68 -4.03 118.68 116.85 2a57 s LEU 136 Ca 0.00 0.59 -0.20 0.00 0.02 0.00 0.00 54.13 54.54 2a57 s LEU 136 Cb 0.00 -3.10 0.19 0.00 0.02 0.00 0.00 46.19 43.30 2a57 s LEU 136 CO 0.00 -1.86 0.66 0.59 0.02 0.00 0.00 176.35 175.76 2a57 n ASN 137 N -3.20 -2.35 0.00 2.29 5.03 -1.26 -1.16 115.26 114.62 2a57 n ASN 137 Ca 0.09 -1.14 0.00 0.00 0.87 0.00 0.00 54.58 54.40 2a57 n ASN 137 Cb 0.61 -2.17 0.00 0.00 -1.02 0.00 0.00 39.78 37.20 2a57 n ASN 137 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2a57 n GLY 138 N -1.31 0.88 3.95 7.41 0.00 -1.26 -4.99 105.19 109.88 2a57 n GLY 138 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2a57 n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a57 s GLY 139 N -1.59 1.76 -0.16 -0.02 0.00 -0.30 -5.08 107.32 101.93 2a57 s GLY 139 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 44.72 43.39 2a57 s GLY 139 CO 0.00 -0.80 0.43 -1.58 0.00 0.00 0.00 173.10 171.15 2a57 s HIS 140 N -3.02 3.44 -0.23 1.90 5.65 -1.23 -4.17 115.29 117.63 2a57 s HIS 140 Ca 0.59 0.74 -0.29 0.00 0.25 0.00 0.00 55.06 56.35 2a57 s HIS 140 Cb -0.10 -2.53 -0.02 0.00 -1.18 0.00 0.00 32.58 28.75 2a57 s HIS 140 CO 0.42 0.08 1.43 1.21 -0.65 0.00 0.00 174.74 177.23 2a57 s ASN 141 N 0.82 6.61 0.49 9.88 3.84 -1.26 -3.69 114.94 131.63 2a57 s ASN 141 Ca 0.22 1.51 0.30 0.00 0.21 0.00 0.00 52.86 55.10 2a57 s ASN 141 Cb -0.15 -2.54 1.05 0.00 -0.55 0.00 0.00 41.25 39.07 2a57 s ASN 141 CO 0.08 -1.08 1.86 0.45 -2.79 0.00 0.00 177.10 175.63 2a57 h HIS 142 N 9.64 0.00 0.00 0.43 3.86 -1.48 -3.02 115.15 124.58 2a57 h HIS 142 Ca -0.30 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2a57 h HIS 142 Cb 1.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 2a57 h HIS 142 CO 0.88 0.00 -0.02 0.78 0.86 0.00 0.00 177.93 180.43 2a57 h GLY 143 N 2.65 0.00 0.81 2.45 0.00 -1.81 -1.48 103.07 105.69 2a57 h GLY 143 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2a57 h GLY 143 CO 0.00 0.00 -0.06 3.43 0.00 0.00 0.00 176.54 179.91 2a57 h ASN 144 N 0.00 -0.15 -0.70 0.19 -0.26 -1.67 -1.01 115.58 111.98 2a57 h ASN 144 Ca -0.00 -0.16 0.09 0.00 -0.56 0.00 0.00 56.30 55.68 2a57 h ASN 144 Cb 0.03 0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 37.26 2a57 h ASN 144 CO 0.00 0.07 0.34 0.44 -1.06 0.00 0.00 177.43 177.22 2a57 h ASP 145 N -0.36 0.44 -0.76 5.81 3.32 -1.47 -0.94 116.42 122.45 2a57 h ASP 145 Ca -0.02 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2a57 h ASP 145 Cb 0.29 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2a57 h ASP 145 CO 0.03 0.25 0.47 -0.50 -1.72 0.00 0.00 179.24 177.77 2a57 h TRP 146 N 0.58 1.00 0.15 4.55 6.55 -1.13 -1.33 115.95 126.31 2a57 h TRP 146 Ca 0.35 0.00 0.01 0.00 0.95 0.00 0.00 58.89 60.20 2a57 h TRP 146 Cb 0.38 -0.33 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 2a57 h TRP 146 CO -0.11 0.66 -0.21 0.78 -1.05 0.00 0.00 178.44 178.51 2a57 h GLY 147 N 1.04 -0.40 1.06 1.49 0.00 0.18 0.15 103.07 106.59 2a57 h GLY 147 Ca 0.27 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.88 2a57 h GLY 147 CO -0.05 -0.19 0.55 1.76 0.00 0.00 0.00 176.54 178.61 2a57 h SER 148 N -0.41 0.90 -0.55 0.19 0.02 -1.20 -2.00 113.55 110.49 2a57 h SER 148 Ca 0.02 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2a57 h SER 148 Cb 0.41 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2a57 h SER 148 CO -0.09 0.62 0.14 0.00 -1.14 0.00 0.00 176.83 176.36 2a57 h ALA 149 N 1.51 0.73 -0.18 3.77 0.00 -0.49 -0.57 119.26 124.02 2a57 h ALA 149 Ca 0.33 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2a57 h ALA 149 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2a57 h ALA 149 CO -0.10 0.42 0.08 0.00 0.00 0.00 0.00 179.25 179.65 2a57 h ALA 150 N 1.02 0.21 -0.05 0.00 0.00 -0.18 -0.58 119.26 119.68 2a57 h ALA 150 Ca 0.17 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2a57 h ALA 150 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2a57 h ALA 150 CO 0.00 -0.35 -0.01 0.28 0.00 0.00 0.00 179.25 179.17 2a57 h VAL 151 N 0.17 0.95 -0.14 0.00 2.07 -1.04 0.28 116.25 118.54 2a57 h VAL 151 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2a57 h VAL 151 Cb 0.03 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2a57 h VAL 151 CO -0.07 0.00 0.02 -0.08 0.02 0.00 0.00 177.57 177.47 2a57 h GLU 152 N -0.00 0.08 -0.46 1.57 4.81 -0.88 -2.05 114.58 117.65 2a57 h GLU 152 Ca 0.02 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2a57 h GLU 152 Cb 0.04 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2a57 h GLU 152 CO -0.05 0.05 0.06 0.52 -0.73 0.00 0.00 179.01 178.86 2a57 h MET 153 N 0.08 0.71 -0.16 1.92 2.86 -0.94 -1.89 114.93 117.51 2a57 h MET 153 Ca 0.06 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2a57 h MET 153 Cb 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2a57 h MET 153 CO -0.09 0.68 0.10 0.78 1.06 0.00 0.00 176.91 179.45 2a57 h GLY 154 N 0.92 0.23 0.84 8.32 0.00 -0.50 -1.44 103.07 111.43 2a57 h GLY 154 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2a57 h GLY 154 CO 0.01 0.09 -0.08 1.41 0.00 0.00 0.00 176.54 177.97 2a57 h LEU 155 N 0.19 -0.18 -2.55 3.11 3.38 -1.19 -2.48 115.31 115.59 2a57 h LEU 155 Ca 0.06 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2a57 h LEU 155 Cb 0.01 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2a57 h LEU 155 CO -0.01 0.02 0.10 0.11 0.09 0.00 0.00 178.44 178.75 2a57 h LYS 156 N -0.37 0.00 -0.44 1.13 1.57 -1.29 0.16 116.57 117.32 2a57 h LYS 156 Ca -0.02 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2a57 h LYS 156 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2a57 h LYS 156 CO 0.04 0.00 -0.17 0.00 -0.57 0.00 0.00 179.45 178.74 2a57 h ALA 157 N 1.84 0.86 0.00 3.86 0.00 -0.78 -3.51 119.26 121.53 2a57 h ALA 157 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2a57 h ALA 157 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2a57 h ALA 157 CO -0.00 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.17