#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 1.34 -0.40 3.23 1.02 -1.26 -4.45 119.74 119.22 2a57 s LYS 14 Ca 0.00 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 55.08 2a57 s LYS 14 Cb 0.00 -1.48 0.22 0.00 -0.52 0.00 0.00 37.83 36.05 2a57 s LYS 14 CO 0.00 0.37 0.47 0.41 -0.92 0.00 0.00 175.35 175.68 2a57 n GLY 15 N 1.73 2.46 0.23 -3.33 0.00 0.80 -4.96 105.19 102.12 2a57 n GLY 15 Ca -0.18 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 4.61 0.26 -0.20 1.61 0.11 -1.74 -2.77 132.00 133.88 2a57 h PRO 16 Ca 0.14 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2a57 h PRO 16 Cb 0.90 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2a57 h PRO 16 CO 0.42 0.45 0.00 0.39 -0.21 0.00 0.00 178.00 179.05 2a57 n GLU 17 N -4.21 1.64 -2.91 1.05 1.02 -1.26 -4.38 120.64 111.58 2a57 n GLU 17 Ca -0.01 -0.98 -0.40 0.00 -0.02 0.00 0.00 57.16 55.76 2a57 n GLU 17 Cb 0.32 -1.32 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.36 4.55 -0.22 -4.62 1.43 -1.04 -5.05 118.68 112.36 2a57 s LEU 18 Ca 0.27 1.65 -0.05 0.00 -1.03 0.00 0.00 54.13 54.98 2a57 s LEU 18 Cb 0.14 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.99 2a57 s LEU 18 CO 0.21 0.11 -0.02 -0.13 0.23 0.00 0.00 176.35 176.75 2a57 s ARG 19 N -0.68 3.46 -0.05 1.70 0.52 -1.26 -4.73 118.95 117.91 2a57 s ARG 19 Ca 0.39 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 2a57 s ARG 19 Cb -0.23 -3.07 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 2a57 s ARG 19 CO 0.27 -0.16 -0.19 0.42 0.02 0.00 0.00 175.30 175.66 2a57 s ILE 20 N 1.42 2.64 -0.07 1.52 -1.09 -0.13 -0.17 121.20 125.33 2a57 s ILE 20 Ca 0.05 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 2a57 s ILE 20 Cb -0.14 -2.01 -0.03 0.00 -1.58 0.00 0.00 42.46 38.70 2a57 s ILE 20 CO -0.01 0.58 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.99 2a57 s LEU 21 N -0.47 3.21 -0.17 2.97 2.96 -0.45 -0.97 118.68 125.75 2a57 s LEU 21 Ca 0.06 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2a57 s LEU 21 Cb -0.12 -1.71 0.05 0.00 0.50 0.00 0.00 46.19 44.92 2a57 s LEU 21 CO 0.01 0.36 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.77 2a57 s ILE 22 N -0.83 0.79 -0.11 6.68 1.01 -0.11 -0.57 121.20 128.07 2a57 s ILE 22 Ca 0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 2a57 s ILE 22 Cb -0.11 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 2a57 s ILE 22 CO 0.02 -0.03 -0.07 -0.69 0.00 0.00 0.00 174.94 174.16 2a57 s VAL 23 N 1.76 3.61 0.03 2.92 1.01 -0.76 -1.22 120.40 127.75 2a57 s VAL 23 Ca -0.00 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2a57 s VAL 23 Cb -0.16 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2a57 s VAL 23 CO -0.07 0.55 -0.05 -1.38 0.00 0.00 0.00 175.10 174.15 2a57 s HIS 24 N -0.18 0.41 0.77 5.22 -3.43 -1.06 -0.96 115.29 116.05 2a57 s HIS 24 Ca 0.02 -0.52 -0.06 0.00 -0.80 0.00 0.00 55.06 53.70 2a57 s HIS 24 Cb -0.13 -0.27 0.12 0.00 -1.43 0.00 0.00 32.58 30.87 2a57 s HIS 24 CO 0.03 -0.15 1.07 0.00 -2.00 0.00 0.00 174.74 173.68 2a57 s ALA 25 N -1.44 3.17 -1.09 -1.38 0.00 -0.53 -1.45 121.76 119.04 2a57 s ALA 25 Ca -0.14 -1.32 0.09 0.00 0.00 0.00 0.00 51.96 50.60 2a57 s ALA 25 Cb -0.10 -2.39 0.06 0.00 0.00 0.00 0.00 23.12 20.69 2a57 s ALA 25 CO -0.01 -1.61 0.76 0.54 0.00 0.00 0.00 175.76 175.44 2a57 n ARG 26 N -3.07 0.60 -2.37 0.00 1.74 0.41 -4.82 116.66 109.16 2a57 n ARG 26 Ca 0.12 -0.97 -0.35 0.00 -0.77 0.00 0.00 57.85 55.89 2a57 n ARG 26 Cb 0.60 -1.15 -0.01 0.00 -1.02 0.00 0.00 32.46 30.87 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 -0.85 2.82 -1.53 -1.55 1.51 -1.22 -3.20 117.35 113.34 2a57 s TYR 27 Ca 0.10 1.56 -0.11 0.00 -1.01 0.00 0.00 57.07 57.61 2a57 s TYR 27 Cb 0.08 -3.22 0.08 0.00 -0.11 0.00 0.00 41.96 38.79 2a57 s TYR 27 CO 0.13 -1.28 0.82 0.09 -1.11 0.00 0.00 175.55 174.20 2a57 n ASN 28 N -1.05 -3.30 0.06 2.29 4.13 -1.26 -4.66 115.26 111.47 2a57 n ASN 28 Ca 0.10 -0.87 0.21 0.00 1.68 0.00 0.00 54.58 55.70 2a57 n ASN 28 Cb 0.51 -3.52 0.71 0.00 -1.54 0.00 0.00 39.78 35.95 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 -1.88 0.00 -1.92 3.41 5.85 -1.90 -0.18 115.31 118.70 2a57 h LEU 29 Ca -0.59 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 2a57 h LEU 29 Cb 1.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2a57 h LEU 29 CO 0.68 0.00 -0.09 -0.61 -0.34 0.00 0.00 178.44 178.08 2a57 h GLN 30 N 0.00 0.00 0.00 1.25 4.15 -1.91 -2.51 115.11 116.09 2a57 h GLN 30 Ca 0.23 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.28 2a57 h GLN 30 Cb 1.30 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.92 2a57 h GLN 30 CO -0.00 0.09 -2.40 0.00 -1.93 0.00 0.00 178.83 174.59 2a57 n ALA 31 N -2.21 1.49 0.22 3.38 0.00 -0.10 -4.55 120.51 118.73 2a57 n ALA 31 Ca -0.01 -1.28 -0.15 0.00 0.00 0.00 0.00 53.44 51.99 2a57 n ALA 31 Cb 0.24 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 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 0.48 -0.32 0.00 1.08 -1.25 -3.19 117.51 114.31 2a57 h ILE 32 Ca -0.55 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 63.99 2a57 h ILE 32 Cb 2.18 0.48 -0.08 0.00 -3.07 0.00 0.00 36.82 36.33 2a57 h ILE 32 CO 0.01 0.00 -0.34 -0.33 -0.69 0.00 0.00 178.15 176.80 2a57 h GLU 33 N -0.59 -0.29 -0.87 2.37 5.08 -1.69 -0.97 114.58 117.61 2a57 h GLU 33 Ca -0.03 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 2a57 h GLU 33 Cb 0.50 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 2a57 h GLU 33 CO 0.01 -0.19 0.56 -1.35 -1.00 0.00 0.00 179.01 177.04 2a57 h PRO 34 N -0.30 0.71 0.10 2.33 0.11 -1.80 -0.42 132.00 132.73 2a57 h PRO 34 Ca 0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2a57 h PRO 34 Cb 0.55 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2a57 h PRO 34 CO -0.49 0.47 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.65 2a57 h LEU 35 N 0.73 -0.11 0.07 2.35 3.38 -1.21 -0.49 115.31 120.02 2a57 h LEU 35 Ca 0.42 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2a57 h LEU 35 Cb 0.61 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2a57 h LEU 35 CO -0.19 0.12 -0.13 0.58 0.09 0.00 0.00 178.44 178.92 2a57 h VAL 36 N -0.35 0.70 -0.02 1.22 2.07 -0.68 -1.37 116.25 117.81 2a57 h VAL 36 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2a57 h VAL 36 Cb 0.29 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2a57 h VAL 36 CO 0.02 0.00 -0.49 0.11 0.02 0.00 0.00 177.57 177.24 2a57 h LYS 37 N -0.25 -0.60 -1.01 1.57 6.56 -1.03 0.09 116.57 121.91 2a57 h LYS 37 Ca 0.02 0.04 0.18 0.00 -1.06 0.00 0.00 60.65 59.83 2a57 h LYS 37 Cb 0.27 0.14 -0.10 0.00 -0.57 0.00 0.00 32.23 31.96 2a57 h LYS 37 CO -0.08 -0.40 0.62 0.78 -2.06 0.00 0.00 179.45 178.31 2a57 h GLY 38 N -0.62 1.76 0.86 3.86 0.00 -0.91 0.30 103.07 108.32 2a57 h GLY 38 Ca 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2a57 h GLY 38 CO -0.36 -0.02 0.05 0.00 0.00 0.00 0.00 176.54 176.21 2a57 h ALA 39 N 1.63 0.19 0.35 3.60 0.00 -0.13 -1.02 119.26 123.88 2a57 h ALA 39 Ca 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 2a57 h ALA 39 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2a57 h ALA 39 CO -0.36 -0.20 -0.17 0.28 0.00 0.00 0.00 179.25 178.80 2a57 h VAL 40 N 0.06 0.63 -0.43 0.00 2.07 0.32 -2.33 116.25 116.58 2a57 h VAL 40 Ca 0.05 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 67.13 2a57 h VAL 40 Cb 0.20 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 2a57 h VAL 40 CO -0.00 0.10 -0.17 -0.33 0.02 0.00 0.00 177.57 177.18 2a57 h GLU 41 N -0.78 -0.08 -0.37 1.57 5.08 -0.50 -1.44 114.58 118.06 2a57 h GLU 41 Ca -0.05 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2a57 h GLU 41 Cb 0.52 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2a57 h GLU 41 CO 0.08 -0.05 0.15 1.15 -1.00 0.00 0.00 179.01 179.33 2a57 h THR 42 N -0.08 0.92 -0.27 1.13 2.02 -1.19 0.16 112.91 115.60 2a57 h THR 42 Ca 0.21 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.32 2a57 h THR 42 Cb 0.40 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 2a57 h THR 42 CO -0.48 0.06 0.02 0.24 0.37 0.00 0.00 175.52 175.72 2a57 h MET 43 N 0.31 0.10 0.00 6.66 2.86 -0.81 0.50 114.93 124.55 2a57 h MET 43 Ca 0.16 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2a57 h MET 43 Cb 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2a57 h MET 43 CO -0.15 0.07 0.00 -0.89 1.06 0.00 0.00 176.91 177.00 2a57 n ILE 44 N -5.13 0.00 -0.38 -1.22 5.41 -0.60 -0.96 119.36 116.47 2a57 n ILE 44 Ca -0.01 0.85 0.30 0.00 1.00 0.00 0.00 62.75 64.89 2a57 n ILE 44 Cb 0.13 -1.64 0.56 0.00 -0.71 0.00 0.00 39.64 37.98 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 -0.77 -1.63 114.58 117.86 2a57 h GLU 45 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 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 0.15 -1.66 1.63 -1.00 0.00 0.00 179.01 178.12 2a57 n LYS 46 N -4.79 0.64 -0.01 2.33 5.02 0.16 -4.69 118.16 116.82 2a57 n LYS 46 Ca 0.33 -0.11 0.01 0.00 -2.02 0.00 0.00 58.31 56.52 2a57 n LYS 46 Cb 1.16 -1.33 0.01 0.00 -0.02 0.00 0.00 35.03 34.86 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 -2.05 0.02 -3.23 2.13 8.25 -0.14 -4.81 115.22 115.39 2a57 n HIS 47 Ca -0.05 -0.14 -0.16 0.00 -0.26 0.00 0.00 57.72 57.11 2a57 n HIS 47 Cb 0.44 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.04 -3.09 -4.83 0.41 10.43 -0.63 -0.14 116.55 118.66 2a57 n ASP 48 Ca 0.01 -0.49 -0.37 0.00 2.57 0.00 0.00 54.79 56.51 2a57 n ASP 48 Cb 0.10 -4.25 -0.06 0.00 1.84 0.00 0.00 41.12 38.76 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 -3.28 4.94 -0.12 2.53 1.01 -1.08 -3.04 120.40 121.36 2a57 s VAL 49 Ca 0.14 0.90 -0.26 0.00 0.00 0.00 0.00 61.98 62.76 2a57 s VAL 49 Cb -0.06 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2a57 s VAL 49 CO 0.59 0.50 0.83 -0.54 0.00 0.00 0.00 175.10 176.49 2a57 s LYS 50 N -1.28 4.38 0.40 2.72 1.02 -1.26 -4.41 119.74 121.31 2a57 s LYS 50 Ca 0.28 1.06 0.21 0.00 0.02 0.00 0.00 55.97 57.54 2a57 s LYS 50 Cb -0.17 -3.52 1.18 0.00 -0.52 0.00 0.00 37.83 34.80 2a57 s LYS 50 CO 0.16 -0.19 1.71 1.25 -0.92 0.00 0.00 175.35 177.36 2a57 h LEU 51 N 7.70 0.41 -1.49 3.17 6.46 -1.96 0.93 115.31 130.53 2a57 h LEU 51 Ca -0.34 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 2a57 h LEU 51 Cb 1.16 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 2a57 h LEU 51 CO 0.81 -0.03 0.00 -0.33 -0.62 0.00 0.00 178.44 178.27 2a57 h GLU 52 N 0.30 0.00 -0.67 1.25 3.07 -2.00 -2.80 114.58 113.73 2a57 h GLU 52 Ca 0.68 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 2a57 h GLU 52 Cb 1.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.74 2a57 h GLU 52 CO -0.39 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.31 2a57 n ASN 53 N -2.99 3.91 -3.92 1.42 5.03 0.32 -4.77 115.26 114.26 2a57 n ASN 53 Ca 0.00 -2.50 -0.30 0.00 0.87 0.00 0.00 54.58 52.65 2a57 n ASN 53 Cb 0.28 -0.57 -0.15 0.00 -1.02 0.00 0.00 39.78 38.32 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 -2.02 1.60 0.08 2.41 1.01 -1.06 -0.95 121.20 122.26 2a57 s ILE 54 Ca 0.36 -1.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 2a57 s ILE 54 Cb 0.26 -1.99 -0.07 0.00 0.01 0.00 0.00 42.46 40.68 2a57 s ILE 54 CO 0.13 -0.32 0.54 -1.81 0.00 0.00 0.00 174.94 173.48 2a57 s ASP 55 N 1.32 6.98 -0.32 3.58 -0.00 -0.14 -4.99 116.67 123.09 2a57 s ASP 55 Ca 0.01 1.18 0.00 0.00 -0.00 0.00 0.00 52.55 53.74 2a57 s ASP 55 Cb -0.19 -2.33 0.10 0.00 -0.00 0.00 0.00 42.92 40.50 2a57 s ASP 55 CO -0.10 0.25 0.08 -0.63 -0.00 0.00 0.00 175.17 174.77 2a57 s ILE 56 N -1.18 1.21 0.37 0.77 1.01 -1.26 -0.93 121.20 121.19 2a57 s ILE 56 Ca 0.30 -1.61 0.07 0.00 0.00 0.00 0.00 60.65 59.41 2a57 s ILE 56 Cb -0.18 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 2a57 s ILE 56 CO 0.18 -0.65 0.45 -1.61 0.00 0.00 0.00 174.94 173.31 2a57 s GLU 57 N 1.45 2.90 0.07 2.79 2.02 -0.35 -5.00 118.70 122.57 2a57 s GLU 57 Ca 0.10 -1.19 -0.07 0.00 0.02 0.00 0.00 54.97 53.83 2a57 s GLU 57 Cb -0.18 -2.69 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 2a57 s GLU 57 CO -0.21 -0.05 0.15 -1.54 0.02 0.00 0.00 175.26 173.63 2a57 s SER 58 N -4.18 0.17 0.23 -0.19 1.04 -1.26 -2.56 113.70 106.94 2a57 s SER 58 Ca 0.47 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 56.28 2a57 s SER 58 Cb -0.08 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 2a57 s SER 58 CO 0.30 -0.65 0.07 0.68 0.98 0.00 0.00 173.24 174.62 2a57 s VAL 59 N -3.45 0.60 0.00 5.02 -7.23 -0.53 -4.91 120.40 109.89 2a57 s VAL 59 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2a57 s VAL 59 Cb 0.03 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2a57 s VAL 59 CO -0.09 -0.16 0.80 -2.65 -0.31 0.00 0.00 175.10 172.70 2a57 n PRO 60 N -0.39 0.00 -4.58 4.82 -0.02 -1.26 -2.05 135.00 131.52 2a57 n PRO 60 Ca -0.02 0.40 -0.27 0.00 -2.02 0.00 0.00 63.50 61.59 2a57 n PRO 60 Cb 0.65 -1.30 -0.09 0.00 -0.02 0.00 0.00 33.50 32.74 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 -0.60 2.62 0.48 -1.23 0.00 -1.26 -0.44 107.32 106.88 2a57 s GLY 61 Ca 0.00 -1.26 0.21 0.00 0.00 0.00 0.00 44.72 43.67 2a57 s GLY 61 CO 0.00 -1.96 1.94 1.76 0.00 0.00 0.00 173.10 174.84 2a57 h SER 62 N 1.72 0.20 -0.55 1.64 0.02 -1.92 -0.24 113.55 114.42 2a57 h SER 62 Ca -0.40 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.61 2a57 h SER 62 Cb 1.28 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 2a57 h SER 62 CO 0.67 0.10 0.37 -0.25 -1.14 0.00 0.00 176.83 176.57 2a57 h TRP 63 N 0.21 0.58 0.00 3.45 2.91 -1.95 -1.72 115.95 119.43 2a57 h TRP 63 Ca 0.34 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.37 2a57 h TRP 63 Cb 1.02 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 2a57 h TRP 63 CO -0.00 0.33 -0.05 0.39 -1.03 0.00 0.00 178.44 178.08 2a57 n GLU 64 N -4.47 0.01 0.04 2.65 4.71 -0.10 -4.26 120.64 119.22 2a57 n GLU 64 Ca 0.07 0.01 -0.12 0.00 -0.01 0.00 0.00 57.16 57.11 2a57 n GLU 64 Cb 0.17 -1.51 -0.05 0.00 -1.01 0.00 0.00 31.44 29.04 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 -1.06 -0.56 -4.62 3.38 -1.33 0.23 115.31 111.35 2a57 h LEU 65 Ca 0.00 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2a57 h LEU 65 Cb 0.51 0.43 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 2a57 h LEU 65 CO 0.00 -0.40 0.28 -0.65 0.09 0.00 0.00 178.44 177.76 2a57 h PRO 66 N -0.48 0.52 -0.69 1.13 0.11 -1.78 -0.86 132.00 129.96 2a57 h PRO 66 Ca 0.07 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 2a57 h PRO 66 Cb 0.58 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 2a57 h PRO 66 CO -0.31 0.34 0.15 1.96 -0.21 0.00 0.00 178.00 179.93 2a57 h GLN 67 N 0.53 1.11 -0.47 1.05 4.20 -1.72 -0.60 115.11 119.21 2a57 h GLN 67 Ca 0.25 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2a57 h GLN 67 Cb 0.18 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2a57 h GLN 67 CO -0.18 0.99 0.02 0.78 -0.67 0.00 0.00 178.83 179.76 2a57 h GLY 68 N 1.04 0.88 0.91 3.46 0.00 -0.12 -2.31 103.07 106.92 2a57 h GLY 68 Ca 0.21 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2a57 h GLY 68 CO 0.00 0.58 0.10 -2.22 0.00 0.00 0.00 176.54 175.01 2a57 h ILE 69 N 0.67 1.19 -0.20 2.60 2.04 -0.95 -1.67 117.51 121.19 2a57 h ILE 69 Ca 0.13 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.43 2a57 h ILE 69 Cb 0.48 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 2a57 h ILE 69 CO 0.02 0.21 -0.11 -0.09 0.00 0.00 0.00 178.15 178.18 2a57 h ARG 70 N 0.32 -0.09 0.36 2.37 2.43 -1.02 0.27 114.38 119.02 2a57 h ARG 70 Ca 0.10 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2a57 h ARG 70 Cb 0.22 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2a57 h ARG 70 CO -0.00 -0.06 -0.52 0.00 -1.51 0.00 0.00 179.97 177.88 2a57 h ALA 71 N 1.07 -1.10 -0.69 2.80 0.00 -1.25 -2.39 119.26 117.71 2a57 h ALA 71 Ca 0.11 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2a57 h ALA 71 Cb 0.26 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 2a57 h ALA 71 CO -0.26 -1.17 0.37 0.77 0.00 0.00 0.00 179.25 178.96 2a57 h SER 72 N -0.92 0.52 -0.39 0.00 0.02 -0.92 -0.64 113.55 111.22 2a57 h SER 72 Ca -0.04 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 2a57 h SER 72 Cb 0.84 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 2a57 h SER 72 CO -0.15 0.32 0.36 0.40 -1.14 0.00 0.00 176.83 176.63 2a57 h ILE 73 N 0.66 0.52 0.17 3.27 1.08 -0.16 -1.81 117.51 121.24 2a57 h ILE 73 Ca 0.32 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.51 2a57 h ILE 73 Cb 0.26 0.73 0.02 0.00 -3.07 0.00 0.00 36.82 34.75 2a57 h ILE 73 CO -0.22 0.00 -1.36 0.00 -0.69 0.00 0.00 178.15 175.88 2a57 h ALA 74 N 1.65 0.02 0.92 1.87 0.00 -0.62 -3.39 119.26 119.70 2a57 h ALA 74 Ca 0.19 -0.95 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 2a57 h ALA 74 Cb 0.91 0.31 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2a57 h ALA 74 CO -0.00 0.72 -0.44 0.00 0.00 0.00 0.00 179.25 179.53 2a57 h ARG 75 N -0.12 -1.19 0.00 0.00 2.47 -0.87 -3.47 114.38 111.21 2a57 h ARG 75 Ca -0.26 0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 2a57 h ARG 75 Cb 1.91 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 30.50 2a57 h ARG 75 CO 0.16 -0.79 0.00 0.09 0.56 0.00 0.00 179.97 179.99 2a57 n ASN 76 N -5.61 1.61 -4.07 7.04 3.02 -0.93 -5.13 115.26 111.19 2a57 n ASN 76 Ca -0.16 -0.59 -0.27 0.00 -0.03 0.00 0.00 54.58 53.54 2a57 n ASN 76 Cb 0.49 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.14 1.39 0.18 3.41 2.01 -1.26 -4.70 115.64 116.81 2a57 s THR 77 Ca 0.00 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.44 2a57 s THR 77 Cb 0.00 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 2a57 s THR 77 CO 0.00 0.41 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.93 2a57 s TYR 78 N 0.68 1.49 -0.13 4.92 2.02 -1.26 -4.91 117.35 120.16 2a57 s TYR 78 Ca -0.14 -0.70 0.20 0.00 -0.37 0.00 0.00 57.07 56.06 2a57 s TYR 78 Cb -0.16 -0.74 -0.20 0.00 -0.40 0.00 0.00 41.96 40.46 2a57 s TYR 78 CO 0.04 0.18 0.62 -0.25 -1.57 0.00 0.00 175.55 174.57 2a57 n ASP 79 N -0.30 0.41 -3.51 2.29 9.92 0.76 -4.98 116.55 121.13 2a57 n ASP 79 Ca -0.09 0.17 -0.13 0.00 -0.53 0.00 0.00 54.79 54.21 2a57 n ASP 79 Cb 0.61 1.02 -0.04 0.00 -0.64 0.00 0.00 41.12 42.06 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 -3.16 -1.79 0.03 2.24 0.00 -1.22 -4.26 121.76 113.60 2a57 s ALA 80 Ca -0.05 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.11 2a57 s ALA 80 Cb 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 2a57 s ALA 80 CO 0.85 -0.48 -0.06 0.54 0.00 0.00 0.00 175.76 176.60 2a57 s VAL 81 N -1.98 0.38 -0.17 0.00 0.11 -0.57 -1.34 120.40 116.82 2a57 s VAL 81 Ca -0.04 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2a57 s VAL 81 Cb -0.00 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2a57 s VAL 81 CO 0.00 -0.32 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.63 2a57 s ILE 82 N -1.13 2.09 -0.24 7.04 1.01 0.26 -0.41 121.20 129.82 2a57 s ILE 82 Ca -0.09 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.47 2a57 s ILE 82 Cb -0.08 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 2a57 s ILE 82 CO -0.00 0.54 0.37 -0.83 0.00 0.00 0.00 174.94 175.02 2a57 s GLY 83 N 1.21 1.96 -0.07 6.18 0.00 -0.53 -1.82 107.32 114.25 2a57 s GLY 83 Ca 0.03 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.08 2a57 s GLY 83 CO -0.11 0.89 -0.18 -0.42 0.00 0.00 0.00 173.10 173.28 2a57 s ILE 84 N 1.74 1.58 -0.06 0.90 1.01 -0.14 0.36 121.20 126.59 2a57 s ILE 84 Ca 0.16 -0.76 -0.31 0.00 0.00 0.00 0.00 60.65 59.74 2a57 s ILE 84 Cb -0.15 -1.37 0.11 0.00 0.01 0.00 0.00 42.46 41.06 2a57 s ILE 84 CO 0.09 0.45 0.98 -0.83 0.00 0.00 0.00 174.94 175.63 2a57 s GLY 85 N 0.30 -0.42 -0.07 6.18 0.00 -0.52 -1.46 107.32 111.34 2a57 s GLY 85 Ca -0.12 1.17 -0.00 0.00 0.00 0.00 0.00 44.72 45.77 2a57 s GLY 85 CO 0.05 0.39 -0.02 -1.34 0.00 0.00 0.00 173.10 172.17 2a57 s VAL 86 N -2.92 0.50 -0.16 1.40 -7.23 -1.26 -0.70 120.40 110.02 2a57 s VAL 86 Ca 0.06 -0.01 -0.05 0.00 -1.81 0.00 0.00 61.98 60.17 2a57 s VAL 86 Cb -0.01 -0.59 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 2a57 s VAL 86 CO -0.08 0.26 0.01 -0.76 -0.31 0.00 0.00 175.10 174.22 2a57 s LEU 87 N 1.56 3.54 -0.09 1.32 1.43 0.13 -4.80 118.68 121.77 2a57 s LEU 87 Ca -0.01 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 2a57 s LEU 87 Cb -0.13 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2a57 s LEU 87 CO -0.04 0.19 -0.16 -0.63 0.23 0.00 0.00 176.35 175.94 2a57 s ILE 88 N 0.28 2.83 0.20 -0.59 1.01 -1.26 -1.03 121.20 122.64 2a57 s ILE 88 Ca 0.00 -0.77 -0.32 0.00 0.00 0.00 0.00 60.65 59.56 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 0.02 0.55 1.67 1.17 0.00 0.00 0.00 174.94 178.35 2a57 n LYS 89 N 3.06 2.59 0.00 2.79 0.00 -0.44 -4.87 118.16 121.30 2a57 n LYS 89 Ca -0.18 0.93 0.00 0.00 0.00 0.00 0.00 58.31 59.07 2a57 n LYS 89 Cb 0.52 -2.75 0.00 0.00 0.00 0.00 0.00 35.03 32.80 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 3.66 4.38 0.17 3.14 0.00 -1.26 -4.85 105.19 110.44 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 -4.90 1.61 0.02 -2.02 -3.47 113.55 104.78 2a57 h SER 91 Ca 0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 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 0.02 -0.11 0.35 -1.14 0.00 0.00 176.83 175.95 2a57 n THR 92 N -2.93 0.00 1.65 -2.27 -2.24 -1.26 -5.01 114.28 102.22 2a57 n THR 92 Ca 0.02 -1.08 0.14 0.00 -2.27 0.00 0.00 64.05 60.87 2a57 n THR 92 Cb 0.55 -0.42 0.65 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.45 -0.22 -0.78 0.00 -1.26 -4.25 117.12 110.75 2a57 n MET 93 Ca 0.02 -0.66 0.02 0.00 0.00 0.00 0.00 57.70 57.08 2a57 n MET 93 Cb 0.32 -1.48 0.11 0.00 0.00 0.00 0.00 33.22 32.17 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 1.59 -0.04 -0.33 2.03 -0.00 -1.96 -1.89 115.15 114.55 2a57 h HIS 94 Ca 0.00 0.05 0.07 0.00 -0.00 0.00 0.00 60.37 60.49 2a57 h HIS 94 Cb 0.34 0.12 -0.07 0.00 -0.00 0.00 0.00 27.41 27.80 2a57 h HIS 94 CO 0.00 -0.18 -0.13 0.35 -0.00 0.00 0.00 177.93 177.98 2a57 h PHE 95 N 0.12 -0.30 -0.36 5.26 3.57 -1.90 -0.72 116.94 122.61 2a57 h PHE 95 Ca 0.34 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.89 2a57 h PHE 95 Cb 0.56 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 2a57 h PHE 95 CO -0.38 -0.20 0.22 0.93 -2.23 0.00 0.00 178.31 176.65 2a57 h GLU 96 N -0.07 0.43 -0.32 1.11 3.07 -1.66 -1.90 114.58 115.24 2a57 h GLU 96 Ca 0.16 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.83 2a57 h GLU 96 Cb 0.32 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2a57 h GLU 96 CO -0.37 0.28 -0.44 1.88 -1.40 0.00 0.00 179.01 178.95 2a57 h TYR 97 N 0.44 1.06 -0.13 4.33 0.05 -1.04 -2.14 116.97 119.53 2a57 h TYR 97 Ca 0.14 -0.35 -0.01 0.00 0.05 0.00 0.00 58.73 58.57 2a57 h TYR 97 Cb -0.00 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 2a57 h TYR 97 CO -0.07 1.17 0.06 0.82 -1.05 0.00 0.00 178.16 179.08 2a57 h ILE 98 N 0.64 1.14 -0.17 -2.88 1.08 -1.13 -2.14 117.51 114.05 2a57 h ILE 98 Ca 0.03 -0.40 0.05 0.00 -0.39 0.00 0.00 64.86 64.16 2a57 h ILE 98 Cb 1.04 1.16 -0.07 0.00 -3.07 0.00 0.00 36.82 35.89 2a57 h ILE 98 CO 0.10 0.12 -0.30 0.28 -0.69 0.00 0.00 178.15 177.66 2a57 h SER 99 N 0.07 -0.95 -0.40 1.72 0.02 -1.31 0.29 113.55 112.99 2a57 h SER 99 Ca 0.04 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2a57 h SER 99 Cb 0.15 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2a57 h SER 99 CO -0.00 -0.34 0.25 -0.08 -1.14 0.00 0.00 176.83 175.52 2a57 h GLU 100 N -0.35 0.49 -0.46 3.45 4.81 -1.36 -1.55 114.58 119.61 2a57 h GLU 100 Ca 0.11 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2a57 h GLU 100 Cb 0.52 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2a57 h GLU 100 CO -0.37 0.32 0.07 0.00 -0.73 0.00 0.00 179.01 178.30 2a57 h ALA 101 N 1.16 0.61 -0.44 2.92 0.00 -0.80 -2.05 119.26 120.66 2a57 h ALA 101 Ca 0.15 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2a57 h ALA 101 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2a57 h ALA 101 CO -0.05 0.34 0.06 0.28 0.00 0.00 0.00 179.25 179.87 2a57 h VAL 102 N 0.62 1.25 -0.61 0.00 2.07 -0.27 -0.17 116.25 119.14 2a57 h VAL 102 Ca 0.14 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 2a57 h VAL 102 Cb 0.40 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2a57 h VAL 102 CO 0.01 0.32 0.22 0.58 0.02 0.00 0.00 177.57 178.73 2a57 h VAL 103 N 0.60 1.24 -0.64 2.57 2.07 -1.23 -0.57 116.25 120.29 2a57 h VAL 103 Ca 0.13 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 2a57 h VAL 103 Cb 0.41 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2a57 h VAL 103 CO 0.01 0.29 0.12 0.45 0.02 0.00 0.00 177.57 178.46 2a57 h HIS 104 N 0.85 1.10 -0.19 1.57 3.86 -1.23 -2.71 115.15 118.41 2a57 h HIS 104 Ca 0.20 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2a57 h HIS 104 Cb 0.23 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2a57 h HIS 104 CO 0.01 0.92 0.11 0.78 0.86 0.00 0.00 177.93 180.62 2a57 h GLY 105 N 1.05 0.26 1.00 2.45 0.00 -0.31 -1.08 103.07 106.42 2a57 h GLY 105 Ca 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 2a57 h GLY 105 CO 0.01 0.08 0.37 1.41 0.00 0.00 0.00 176.54 178.42 2a57 h LEU 106 N 0.24 0.74 -0.75 3.11 3.38 -1.07 -0.15 115.31 120.81 2a57 h LEU 106 Ca 0.07 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2a57 h LEU 106 Cb -0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2a57 h LEU 106 CO -0.03 0.58 0.49 -0.03 0.09 0.00 0.00 178.44 179.55 2a57 h MET 107 N 0.84 0.99 0.09 1.13 4.05 -1.24 -1.92 114.93 118.86 2a57 h MET 107 Ca 0.22 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2a57 h MET 107 Cb -0.03 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.55 2a57 h MET 107 CO -0.04 0.66 -0.04 -0.09 0.23 0.00 0.00 176.91 177.62 2a57 h ARG 108 N 1.01 -0.12 -0.92 0.39 2.43 -0.45 -1.33 114.38 115.40 2a57 h ARG 108 Ca 0.27 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.60 2a57 h ARG 108 Cb -0.11 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.39 2a57 h ARG 108 CO -0.06 0.06 0.59 0.28 -1.51 0.00 0.00 179.97 179.33 2a57 h VAL 109 N -0.28 0.83 -0.04 0.20 2.07 -0.84 0.18 116.25 118.37 2a57 h VAL 109 Ca -0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2a57 h VAL 109 Cb 0.23 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2a57 h VAL 109 CO 0.02 0.14 -0.04 1.23 0.02 0.00 0.00 177.57 178.93 2a57 h GLY 110 N 0.75 0.11 2.00 2.17 0.00 -1.11 -2.04 103.07 104.94 2a57 h GLY 110 Ca 0.47 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.61 2a57 h GLY 110 CO -0.23 0.10 -0.37 1.41 0.00 0.00 0.00 176.54 177.46 2a57 h LEU 111 N -0.36 0.00 0.02 3.11 3.38 -0.59 -0.11 115.31 120.75 2a57 h LEU 111 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2a57 h LEU 111 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2a57 h LEU 111 CO 0.01 0.37 -0.45 0.44 0.09 0.00 0.00 178.44 178.89 2a57 h ASP 112 N 0.00 0.37 0.99 -0.43 3.32 -0.70 -3.34 116.42 116.63 2a57 h ASP 112 Ca -0.00 -0.80 -0.13 0.00 0.02 0.00 0.00 57.03 56.12 2a57 h ASP 112 Cb 0.65 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2a57 h ASP 112 CO 0.05 1.13 -0.61 0.77 -1.72 0.00 0.00 179.24 178.85 2a57 h SER 113 N -0.35 0.00 0.00 6.45 4.64 -1.30 -3.47 113.55 119.52 2a57 h SER 113 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2a57 h SER 113 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2a57 h SER 113 CO 0.09 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 2a57 n GLY 114 N 0.75 1.14 3.70 -0.77 0.00 -0.06 -5.02 105.19 104.94 2a57 n GLY 114 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.34 5.23 0.23 1.61 1.01 -1.22 -5.03 120.40 118.90 2a57 s VAL 115 Ca 0.00 0.73 -0.32 0.00 0.00 0.00 0.00 61.98 62.40 2a57 s VAL 115 Cb 0.00 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 2a57 s VAL 115 CO 0.00 0.32 1.62 -2.65 0.00 0.00 0.00 175.10 174.39 2a57 n PRO 116 N 3.94 2.56 -4.07 2.72 -0.02 -1.26 -4.49 135.00 134.37 2a57 n PRO 116 Ca -0.09 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 2a57 n PRO 116 Cb 0.51 -2.71 -0.16 0.00 -0.02 0.00 0.00 33.50 31.12 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 0.59 1.90 -0.07 -1.45 1.01 -1.26 -1.51 120.40 119.62 2a57 s VAL 117 Ca 0.71 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 2a57 s VAL 117 Cb -0.55 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 2a57 s VAL 117 CO 0.41 0.39 0.53 -0.63 0.00 0.00 0.00 175.10 175.79 2a57 s ILE 118 N 1.33 5.07 -0.53 2.22 1.09 0.45 -4.98 121.20 125.84 2a57 s ILE 118 Ca 0.02 1.08 -0.25 0.00 -1.10 0.00 0.00 60.65 60.39 2a57 s ILE 118 Cb -0.14 -3.86 0.04 0.00 -1.06 0.00 0.00 42.46 37.43 2a57 s ILE 118 CO -0.11 0.37 1.00 -0.22 -0.10 0.00 0.00 174.94 175.88 2a57 s LEU 119 N 0.21 3.93 -0.42 2.97 2.96 -1.26 -1.45 118.68 125.62 2a57 s LEU 119 Ca 0.28 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2a57 s LEU 119 Cb -0.16 -3.01 0.44 0.00 0.50 0.00 0.00 46.19 43.95 2a57 s LEU 119 CO 0.13 -1.24 1.34 0.61 -1.32 0.00 0.00 176.35 175.87 2a57 n GLY 120 N 5.05 6.16 3.60 7.98 0.00 0.16 -4.96 105.19 123.18 2a57 n GLY 120 Ca 0.05 -2.64 -0.36 0.00 0.00 0.00 0.00 46.02 43.06 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 3.90 -0.17 0.99 0.20 -1.24 -1.43 118.68 117.28 2a57 s LEU 121 Ca 0.52 0.02 -0.05 0.00 0.69 0.00 0.00 54.13 55.30 2a57 s LEU 121 Cb 0.42 -2.04 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 2a57 s LEU 121 CO -0.07 0.04 0.00 -0.76 -0.29 0.00 0.00 176.35 175.28 2a57 s LEU 122 N 1.18 3.43 -0.49 -0.68 1.43 0.12 -4.96 118.68 118.72 2a57 s LEU 122 Ca 0.06 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2a57 s LEU 122 Cb -0.14 -1.85 0.13 0.00 0.03 0.00 0.00 46.19 44.35 2a57 s LEU 122 CO 0.05 0.15 0.23 0.42 0.23 0.00 0.00 176.35 177.43 2a57 s THR 123 N 0.51 2.47 0.37 5.49 -4.23 -1.26 0.21 115.64 119.20 2a57 s THR 123 Ca -0.01 -3.15 0.08 0.00 -1.18 0.00 0.00 61.69 57.43 2a57 s THR 123 Cb -0.14 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 2a57 s THR 123 CO 0.02 -0.78 0.16 0.68 -0.54 0.00 0.00 174.62 174.16 2a57 s VAL 124 N -0.10 2.70 -0.06 2.29 -7.23 -0.20 -5.00 120.40 112.80 2a57 s VAL 124 Ca 0.16 -1.70 0.13 0.00 -1.81 0.00 0.00 61.98 58.77 2a57 s VAL 124 Cb -0.25 -2.97 -0.12 0.00 0.56 0.00 0.00 36.38 33.60 2a57 s VAL 124 CO -0.01 -0.11 1.05 -0.07 -0.31 0.00 0.00 175.10 175.65 2a57 h LEU 125 N 1.49 0.00 -7.24 1.32 -0.00 -1.93 -1.16 115.31 107.79 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 41.78 2a57 h LEU 125 CO 0.65 0.74 0.03 0.54 -0.00 0.00 0.00 178.44 180.40 2a57 s ASN 126 N -6.22 -0.37 0.36 -0.43 2.20 -1.26 -4.13 114.94 105.09 2a57 s ASN 126 Ca -0.01 -0.14 0.13 0.00 -0.94 0.00 0.00 52.86 51.90 2a57 s ASN 126 Cb 0.09 0.52 0.93 0.00 -2.00 0.00 0.00 41.25 40.78 2a57 s ASN 126 CO 0.80 -0.87 1.81 -0.08 -2.94 0.00 0.00 177.10 175.82 2a57 h GLU 127 N 2.32 0.55 -0.40 3.55 4.57 -1.97 -1.45 114.58 121.75 2a57 h GLU 127 Ca -0.34 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 57.85 2a57 h GLU 127 Cb 1.27 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 2a57 h GLU 127 CO 0.43 0.36 0.19 0.93 -1.18 0.00 0.00 179.01 179.74 2a57 h GLU 128 N 0.57 0.37 -0.57 1.92 3.07 -1.99 -0.89 114.58 117.06 2a57 h GLU 128 Ca 0.54 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.43 2a57 h GLU 128 Cb 1.11 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.90 2a57 h GLU 128 CO -0.29 0.24 0.38 1.96 -1.40 0.00 0.00 179.01 179.90 2a57 h GLN 129 N 0.38 0.53 0.35 2.33 4.20 -1.68 -0.90 115.11 120.32 2a57 h GLN 129 Ca 0.17 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2a57 h GLN 129 Cb 0.10 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2a57 h GLN 129 CO -0.13 0.35 -0.17 0.00 -0.67 0.00 0.00 178.83 178.21 2a57 h ALA 130 N 1.69 -0.47 -1.01 3.87 0.00 -1.14 -2.71 119.26 119.49 2a57 h ALA 130 Ca 0.24 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2a57 h ALA 130 Cb 0.26 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 2a57 h ALA 130 CO -0.07 -0.58 0.64 -0.07 0.00 0.00 0.00 179.25 179.17 2a57 h LEU 131 N -0.85 0.97 -0.97 0.00 3.38 -0.88 -0.61 115.31 116.36 2a57 h LEU 131 Ca -0.05 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2a57 h LEU 131 Cb 0.53 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2a57 h LEU 131 CO 0.08 0.56 0.64 0.22 0.09 0.00 0.00 178.44 180.03 2a57 h TYR 132 N 1.07 1.21 -0.00 1.13 3.20 -1.15 -0.31 116.97 122.12 2a57 h TYR 132 Ca 0.48 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.37 2a57 h TYR 132 Cb 0.37 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2a57 h TYR 132 CO -0.00 0.76 -0.04 0.54 -1.64 0.00 0.00 178.16 177.78 2a57 n ARG 133 N -4.41 0.44 -0.35 1.82 1.74 -0.34 -2.48 116.66 113.09 2a57 n ARG 133 Ca 0.11 -0.05 0.10 0.00 -0.77 0.00 0.00 57.85 57.24 2a57 n ARG 133 Cb 0.01 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.24 2.48 -0.23 7.54 0.00 -0.21 -1.40 120.51 127.45 2a57 n ALA 134 Ca 0.14 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.44 2a57 n ALA 134 Cb 0.26 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.44 1.21 3.92 0.00 0.00 -1.03 -4.55 105.19 106.18 2a57 n GLY 135 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 2.72 -1.76 0.99 1.02 -0.70 -4.07 118.68 116.89 2a57 s LEU 136 Ca 0.00 0.50 -0.19 0.00 0.02 0.00 0.00 54.13 54.46 2a57 s LEU 136 Cb 0.00 -3.05 0.18 0.00 0.02 0.00 0.00 46.19 43.34 2a57 s LEU 136 CO 0.00 -1.78 0.65 0.59 0.02 0.00 0.00 176.35 175.82 2a57 n ASN 137 N -3.10 -2.31 0.00 2.29 5.03 -1.26 -1.19 115.26 114.72 2a57 n ASN 137 Ca 0.09 -1.13 0.00 0.00 0.87 0.00 0.00 54.58 54.41 2a57 n ASN 137 Cb 0.61 -2.22 0.00 0.00 -1.02 0.00 0.00 39.78 37.14 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 -1.36 0.88 3.97 7.41 0.00 -1.26 -4.99 105.19 109.85 2a57 n GLY 138 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 1.77 -0.16 -0.02 0.00 -0.33 -5.08 107.32 101.91 2a57 s GLY 139 Ca 0.00 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.21 2a57 s GLY 139 CO 0.00 -0.93 0.37 -1.58 0.00 0.00 0.00 173.10 170.96 2a57 s HIS 140 N -3.05 3.46 -0.26 1.90 5.65 -1.23 -4.21 115.29 117.54 2a57 s HIS 140 Ca 0.62 0.69 -0.29 0.00 0.25 0.00 0.00 55.06 56.32 2a57 s HIS 140 Cb -0.08 -2.44 -0.01 0.00 -1.18 0.00 0.00 32.58 28.87 2a57 s HIS 140 CO 0.42 0.17 1.42 1.21 -0.65 0.00 0.00 174.74 177.32 2a57 s ASN 141 N 0.63 6.57 0.50 9.88 3.84 -1.26 -3.59 114.94 131.51 2a57 s ASN 141 Ca 0.20 1.39 0.31 0.00 0.21 0.00 0.00 52.86 54.96 2a57 s ASN 141 Cb -0.14 -2.54 1.10 0.00 -0.55 0.00 0.00 41.25 39.13 2a57 s ASN 141 CO 0.06 -1.13 1.88 0.45 -2.79 0.00 0.00 177.10 175.57 2a57 h HIS 142 N 9.79 0.00 -0.16 0.43 3.86 -1.55 -2.98 115.15 124.55 2a57 h HIS 142 Ca -0.29 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 58.94 2a57 h HIS 142 Cb 1.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 2a57 h HIS 142 CO 0.89 0.00 0.11 0.78 0.86 0.00 0.00 177.93 180.57 2a57 h GLY 143 N 2.56 0.12 0.88 2.45 0.00 -1.81 -1.55 103.07 105.72 2a57 h GLY 143 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2a57 h GLY 143 CO 0.00 0.04 -0.06 3.43 0.00 0.00 0.00 176.54 179.95 2a57 h ASN 144 N 0.11 -0.14 -0.87 0.19 -0.26 -1.66 -0.65 115.58 112.29 2a57 h ASN 144 Ca 0.07 -0.10 0.09 0.00 -0.56 0.00 0.00 56.30 55.80 2a57 h ASN 144 Cb 0.14 0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 37.37 2a57 h ASN 144 CO -0.01 0.02 0.52 0.44 -1.06 0.00 0.00 177.43 177.34 2a57 h ASP 145 N -0.28 0.78 -0.73 5.81 3.32 -1.48 -1.29 116.42 122.54 2a57 h ASP 145 Ca -0.02 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2a57 h ASP 145 Cb 0.23 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2a57 h ASP 145 CO 0.03 0.46 0.31 -0.50 -1.72 0.00 0.00 179.24 177.81 2a57 h TRP 146 N 0.89 1.10 0.26 4.55 6.55 -1.01 -1.37 115.95 126.92 2a57 h TRP 146 Ca 0.41 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 60.18 2a57 h TRP 146 Cb 0.33 -0.33 -0.02 0.00 -0.86 0.00 0.00 29.16 28.27 2a57 h TRP 146 CO -0.04 0.84 -0.27 0.78 -1.05 0.00 0.00 178.44 178.69 2a57 h GLY 147 N 1.04 -0.61 0.93 1.49 0.00 0.02 0.87 103.07 106.82 2a57 h GLY 147 Ca 0.25 0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.94 2a57 h GLY 147 CO -0.02 -0.24 0.58 1.76 0.00 0.00 0.00 176.54 178.62 2a57 h SER 148 N -0.57 0.93 -0.64 0.19 0.02 -1.25 -1.86 113.55 110.36 2a57 h SER 148 Ca -0.00 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2a57 h SER 148 Cb 0.53 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2a57 h SER 148 CO -0.07 0.62 0.19 0.00 -1.14 0.00 0.00 176.83 176.43 2a57 h ALA 149 N 1.50 0.84 -0.19 3.77 0.00 -0.63 -1.13 119.26 123.43 2a57 h ALA 149 Ca 0.37 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2a57 h ALA 149 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2a57 h ALA 149 CO -0.12 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.75 2a57 h ALA 150 N 1.07 0.22 -0.10 0.00 0.00 -0.07 -0.23 119.26 120.15 2a57 h ALA 150 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2a57 h ALA 150 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2a57 h ALA 150 CO -0.00 -0.33 0.05 0.28 0.00 0.00 0.00 179.25 179.25 2a57 h VAL 151 N 0.20 1.00 -0.02 0.00 2.07 -1.07 0.07 116.25 118.50 2a57 h VAL 151 Ca 0.07 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2a57 h VAL 151 Cb 0.01 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2a57 h VAL 151 CO -0.05 0.02 0.01 -0.08 0.02 0.00 0.00 177.57 177.49 2a57 h GLU 152 N 0.11 0.02 -0.49 1.57 4.81 -0.97 -2.06 114.58 117.57 2a57 h GLU 152 Ca 0.04 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2a57 h GLU 152 Cb 0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2a57 h GLU 152 CO -0.03 0.03 0.15 0.52 -0.73 0.00 0.00 179.01 178.95 2a57 h MET 153 N 0.01 0.72 -0.03 1.92 2.86 -0.92 -1.82 114.93 117.67 2a57 h MET 153 Ca 0.01 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2a57 h MET 153 Cb 0.01 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 2a57 h MET 153 CO -0.00 0.63 0.02 0.78 1.06 0.00 0.00 176.91 179.40 2a57 h GLY 154 N 0.89 0.05 0.89 8.32 0.00 -0.61 -1.51 103.07 111.09 2a57 h GLY 154 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2a57 h GLY 154 CO -0.01 0.02 -0.13 1.41 0.00 0.00 0.00 176.54 177.83 2a57 h LEU 155 N 0.02 -0.31 -2.56 3.11 3.38 -1.16 -2.18 115.31 115.61 2a57 h LEU 155 Ca 0.01 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2a57 h LEU 155 Cb 0.03 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2a57 h LEU 155 CO -0.00 -0.13 0.14 0.11 0.09 0.00 0.00 178.44 178.65 2a57 h LYS 156 N -0.48 0.00 -0.38 1.13 1.57 -1.29 0.47 116.57 117.59 2a57 h LYS 156 Ca -0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 2a57 h LYS 156 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2a57 h LYS 156 CO 0.06 0.00 -0.33 0.00 -0.57 0.00 0.00 179.45 178.61 2a57 h ALA 157 N 1.74 0.69 0.00 3.86 0.00 -0.60 -3.51 119.26 121.44 2a57 h ALA 157 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2a57 h ALA 157 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2a57 h ALA 157 CO -0.00 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.20