#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 -0.41 3.23 1.02 -1.26 -4.44 119.74 119.25 2a57 s LYS 14 Ca 0.00 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.09 2a57 s LYS 14 Cb 0.00 -1.49 0.21 0.00 -0.52 0.00 0.00 37.83 36.03 2a57 s LYS 14 CO 0.00 0.38 0.46 0.41 -0.92 0.00 0.00 175.35 175.68 2a57 n GLY 15 N 1.77 2.23 0.25 -3.33 0.00 0.91 -4.96 105.19 102.07 2a57 n GLY 15 Ca -0.17 -1.28 -0.02 0.00 0.00 0.00 0.00 46.02 44.55 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 4.82 0.48 -0.15 1.61 0.11 -1.74 -2.78 132.00 134.34 2a57 h PRO 16 Ca 0.15 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2a57 h PRO 16 Cb 0.91 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2a57 h PRO 16 CO 0.39 0.62 0.00 0.39 -0.21 0.00 0.00 178.00 179.19 2a57 n GLU 17 N -4.19 1.50 -2.88 1.05 1.02 -1.26 -4.38 120.64 111.50 2a57 n GLU 17 Ca 0.00 -0.76 -0.40 0.00 -0.02 0.00 0.00 57.16 55.98 2a57 n GLU 17 Cb 0.33 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.37 4.60 -0.21 -4.62 1.43 -1.05 -5.05 118.68 112.41 2a57 s LEU 18 Ca 0.25 1.75 -0.04 0.00 -1.03 0.00 0.00 54.13 55.07 2a57 s LEU 18 Cb 0.13 -3.42 -0.01 0.00 0.03 0.00 0.00 46.19 42.92 2a57 s LEU 18 CO 0.20 0.16 -0.05 -0.13 0.23 0.00 0.00 176.35 176.76 2a57 s ARG 19 N -1.00 3.39 -0.04 1.70 0.52 -1.26 -4.73 118.95 117.52 2a57 s ARG 19 Ca 0.39 -0.62 0.05 0.00 -0.52 0.00 0.00 55.73 55.02 2a57 s ARG 19 Cb -0.24 -2.99 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 2a57 s ARG 19 CO 0.28 -0.17 -0.19 0.42 0.02 0.00 0.00 175.30 175.67 2a57 s ILE 20 N 1.39 2.68 -0.07 1.52 -1.09 -0.09 -0.08 121.20 125.46 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 -0.03 0.59 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.95 2a57 s LEU 21 N -0.66 3.00 -0.17 2.97 2.96 -0.45 -0.99 118.68 125.35 2a57 s LEU 21 Ca 0.10 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2a57 s LEU 21 Cb -0.11 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 44.98 2a57 s LEU 21 CO 0.00 0.33 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.69 2a57 s ILE 22 N -0.62 1.02 -0.11 6.68 1.01 -0.00 -0.53 121.20 128.65 2a57 s ILE 22 Ca 0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 2a57 s ILE 22 Cb -0.11 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 2a57 s ILE 22 CO 0.02 0.08 -0.09 -0.69 0.00 0.00 0.00 174.94 174.26 2a57 s VAL 23 N 1.66 3.47 0.02 2.92 1.01 -0.71 -1.12 120.40 127.66 2a57 s VAL 23 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2a57 s VAL 23 Cb -0.16 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 2a57 s VAL 23 CO -0.07 0.54 -0.05 -1.38 0.00 0.00 0.00 175.10 174.14 2a57 s HIS 24 N -0.05 0.40 0.83 5.22 -3.43 -1.07 -0.93 115.29 116.27 2a57 s HIS 24 Ca -0.01 -0.43 -0.10 0.00 -0.80 0.00 0.00 55.06 53.73 2a57 s HIS 24 Cb -0.14 -0.26 0.15 0.00 -1.43 0.00 0.00 32.58 30.90 2a57 s HIS 24 CO 0.03 -0.12 1.16 0.00 -2.00 0.00 0.00 174.74 173.82 2a57 s ALA 25 N -1.16 2.85 -0.99 -1.38 0.00 -0.47 -1.54 121.76 119.07 2a57 s ALA 25 Ca -0.11 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.67 2a57 s ALA 25 Cb -0.08 -2.54 0.06 0.00 0.00 0.00 0.00 23.12 20.56 2a57 s ALA 25 CO -0.00 -1.90 0.74 0.54 0.00 0.00 0.00 175.76 175.14 2a57 n ARG 26 N -3.31 0.24 -2.44 0.00 1.74 0.29 -4.81 116.66 108.37 2a57 n ARG 26 Ca 0.13 -0.95 -0.35 0.00 -0.77 0.00 0.00 57.85 55.90 2a57 n ARG 26 Cb 0.60 -1.15 -0.02 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 -0.70 2.99 -1.49 -1.55 1.51 -1.22 -3.28 117.35 113.61 2a57 s TYR 27 Ca 0.09 1.58 -0.10 0.00 -1.01 0.00 0.00 57.07 57.64 2a57 s TYR 27 Cb 0.07 -3.18 0.07 0.00 -0.11 0.00 0.00 41.96 38.80 2a57 s TYR 27 CO 0.11 -1.03 0.82 0.09 -1.11 0.00 0.00 175.55 174.43 2a57 n ASN 28 N -0.67 -3.23 0.10 2.29 4.13 -1.26 -4.65 115.26 111.97 2a57 n ASN 28 Ca 0.08 -0.85 0.20 0.00 1.68 0.00 0.00 54.58 55.69 2a57 n ASN 28 Cb 0.51 -3.67 0.73 0.00 -1.54 0.00 0.00 39.78 35.81 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 -1.93 0.00 -1.93 3.41 5.85 -1.91 -0.29 115.31 118.52 2a57 h LEU 29 Ca -0.60 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 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 0.66 0.00 -0.07 -0.61 -0.34 0.00 0.00 178.44 178.07 2a57 h GLN 30 N 0.00 0.00 0.00 1.25 4.15 -1.91 -2.55 115.11 116.05 2a57 h GLN 30 Ca 0.19 0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.24 2a57 h GLN 30 Cb 1.15 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.77 2a57 h GLN 30 CO -0.00 0.07 -2.41 0.00 -1.93 0.00 0.00 178.83 174.57 2a57 n ALA 31 N -2.18 1.48 0.24 3.38 0.00 -0.14 -4.55 120.51 118.73 2a57 n ALA 31 Ca -0.01 -1.25 -0.16 0.00 0.00 0.00 0.00 53.44 52.02 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 0.31 -0.31 0.00 1.08 -1.27 -3.16 117.51 114.16 2a57 h ILE 32 Ca -0.56 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 63.98 2a57 h ILE 32 Cb 2.13 0.31 -0.08 0.00 -3.07 0.00 0.00 36.82 36.11 2a57 h ILE 32 CO -0.01 0.00 -0.42 -0.33 -0.69 0.00 0.00 178.15 176.71 2a57 h GLU 33 N -0.73 -0.36 -0.90 2.37 5.08 -1.70 -0.28 114.58 118.05 2a57 h GLU 33 Ca -0.03 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.53 2a57 h GLU 33 Cb 0.64 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 2a57 h GLU 33 CO -0.03 -0.24 0.58 -1.35 -1.00 0.00 0.00 179.01 176.97 2a57 h PRO 34 N -0.38 0.54 0.05 2.33 0.11 -1.80 -0.52 132.00 132.33 2a57 h PRO 34 Ca 0.12 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 2a57 h PRO 34 Cb 0.59 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2a57 h PRO 34 CO -0.51 0.36 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.55 2a57 h LEU 35 N 0.56 -0.05 0.00 2.35 3.38 -1.06 -0.81 115.31 119.67 2a57 h LEU 35 Ca 0.47 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2a57 h LEU 35 Cb 0.95 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2a57 h LEU 35 CO -0.21 0.25 -0.11 0.58 0.09 0.00 0.00 178.44 179.04 2a57 h VAL 36 N -0.36 0.72 -0.06 1.22 2.07 -0.57 -1.09 116.25 118.17 2a57 h VAL 36 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2a57 h VAL 36 Cb 0.33 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 2a57 h VAL 36 CO 0.01 0.00 -0.44 0.11 0.02 0.00 0.00 177.57 177.27 2a57 h LYS 37 N -0.19 -0.53 -0.91 1.57 6.56 -1.06 0.26 116.57 122.26 2a57 h LYS 37 Ca 0.04 0.04 0.14 0.00 -1.06 0.00 0.00 60.65 59.81 2a57 h LYS 37 Cb 0.25 0.12 -0.09 0.00 -0.57 0.00 0.00 32.23 31.93 2a57 h LYS 37 CO -0.11 -0.36 0.51 0.78 -2.06 0.00 0.00 179.45 178.21 2a57 h GLY 38 N -0.56 1.50 0.95 3.86 0.00 -0.94 0.20 103.07 108.09 2a57 h GLY 38 Ca 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2a57 h GLY 38 CO -0.36 0.01 0.04 0.00 0.00 0.00 0.00 176.54 176.23 2a57 h ALA 39 N 1.56 0.08 0.57 3.60 0.00 -0.24 -0.66 119.26 124.17 2a57 h ALA 39 Ca 0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 2a57 h ALA 39 Cb 0.64 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2a57 h ALA 39 CO -0.34 -0.39 -0.27 0.28 0.00 0.00 0.00 179.25 178.53 2a57 h VAL 40 N 0.04 0.35 -0.54 0.00 2.07 0.21 -2.20 116.25 116.17 2a57 h VAL 40 Ca 0.02 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.37 2a57 h VAL 40 Cb 0.05 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.16 2a57 h VAL 40 CO -0.00 0.04 -0.16 -0.33 0.02 0.00 0.00 177.57 177.14 2a57 h GLU 41 N -0.97 -0.02 -0.21 1.57 5.08 -0.67 -1.38 114.58 117.98 2a57 h GLU 41 Ca -0.08 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2a57 h GLU 41 Cb 0.65 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2a57 h GLU 41 CO 0.13 -0.02 0.08 1.15 -1.00 0.00 0.00 179.01 179.35 2a57 h THR 42 N -0.03 0.96 -0.30 1.13 2.02 -1.10 0.15 112.91 115.75 2a57 h THR 42 Ca 0.26 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.43 2a57 h THR 42 Cb 0.42 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 2a57 h THR 42 CO -0.57 0.03 0.00 0.24 0.37 0.00 0.00 175.52 175.60 2a57 h MET 43 N 0.18 0.09 0.00 6.66 2.86 -0.68 0.59 114.93 124.63 2a57 h MET 43 Ca 0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2a57 h MET 43 Cb 0.05 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2a57 h MET 43 CO -0.09 0.06 0.00 -0.89 1.06 0.00 0.00 176.91 177.05 2a57 n ILE 44 N -5.16 0.00 -0.35 -1.22 5.41 -0.60 -1.08 119.36 116.36 2a57 n ILE 44 Ca -0.00 0.89 0.27 0.00 1.00 0.00 0.00 62.75 64.91 2a57 n ILE 44 Cb 0.15 -1.70 0.53 0.00 -0.71 0.00 0.00 39.64 37.91 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 0.23 0.00 0.38 5.08 -0.77 -1.58 114.58 117.91 2a57 h GLU 45 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 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 -1.71 1.63 -1.00 0.00 0.00 179.01 178.08 2a57 n LYS 46 N -4.99 0.73 -0.01 2.33 5.02 0.20 -4.68 118.16 116.76 2a57 n LYS 46 Ca 0.33 -0.11 0.01 0.00 -2.02 0.00 0.00 58.31 56.53 2a57 n LYS 46 Cb 1.10 -1.34 0.02 0.00 -0.02 0.00 0.00 35.03 34.79 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 -2.10 0.03 -3.20 2.13 8.25 -0.24 -4.81 115.22 115.27 2a57 n HIS 47 Ca -0.07 -0.13 -0.15 0.00 -0.26 0.00 0.00 57.72 57.11 2a57 n HIS 47 Cb 0.49 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.66 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 0.03 -3.01 -4.84 0.41 10.43 -0.61 -0.06 116.55 118.90 2a57 n ASP 48 Ca 0.02 -0.47 -0.37 0.00 2.57 0.00 0.00 54.79 56.53 2a57 n ASP 48 Cb 0.12 -4.16 -0.06 0.00 1.84 0.00 0.00 41.12 38.86 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 4.99 -0.13 2.53 1.01 -1.08 -3.09 120.40 121.35 2a57 s VAL 49 Ca 0.13 0.84 -0.26 0.00 0.00 0.00 0.00 61.98 62.69 2a57 s VAL 49 Cb -0.06 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2a57 s VAL 49 CO 0.58 0.52 0.85 -0.54 0.00 0.00 0.00 175.10 176.50 2a57 s LYS 50 N -1.25 4.36 0.40 2.72 1.02 -1.26 -4.38 119.74 121.35 2a57 s LYS 50 Ca 0.27 1.08 0.22 0.00 0.02 0.00 0.00 55.97 57.56 2a57 s LYS 50 Cb -0.17 -3.54 1.22 0.00 -0.52 0.00 0.00 37.83 34.83 2a57 s LYS 50 CO 0.15 -0.23 1.70 1.25 -0.92 0.00 0.00 175.35 177.29 2a57 h LEU 51 N 7.87 0.38 -1.51 3.17 6.46 -1.96 1.03 115.31 130.75 2a57 h LEU 51 Ca -0.33 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 2a57 h LEU 51 Cb 1.15 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 2a57 h LEU 51 CO 0.82 -0.06 0.00 -0.33 -0.62 0.00 0.00 178.44 178.25 2a57 h GLU 52 N 0.26 0.00 -0.68 1.25 3.07 -2.00 -2.86 114.58 113.62 2a57 h GLU 52 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 2a57 h GLU 52 Cb 1.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.86 2a57 h GLU 52 CO -0.40 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.30 2a57 n ASN 53 N -3.08 3.86 -3.92 1.42 5.03 0.36 -4.76 115.26 114.16 2a57 n ASN 53 Ca 0.00 -2.51 -0.30 0.00 0.87 0.00 0.00 54.58 52.64 2a57 n ASN 53 Cb 0.30 -0.57 -0.15 0.00 -1.02 0.00 0.00 39.78 38.33 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 1.58 0.07 2.41 1.01 -1.08 -0.91 121.20 122.25 2a57 s ILE 54 Ca 0.35 -1.50 -0.17 0.00 0.00 0.00 0.00 60.65 59.32 2a57 s ILE 54 Cb 0.26 -1.97 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 2a57 s ILE 54 CO 0.12 -0.32 0.53 -1.81 0.00 0.00 0.00 174.94 173.47 2a57 s ASP 55 N 1.32 6.97 -0.32 3.58 -0.00 -0.16 -4.99 116.67 123.06 2a57 s ASP 55 Ca 0.01 1.16 0.00 0.00 -0.00 0.00 0.00 52.55 53.72 2a57 s ASP 55 Cb -0.19 -2.32 0.10 0.00 -0.00 0.00 0.00 42.92 40.51 2a57 s ASP 55 CO -0.10 0.26 0.09 -0.63 -0.00 0.00 0.00 175.17 174.79 2a57 s ILE 56 N -1.17 1.18 0.38 0.77 1.01 -1.26 -0.82 121.20 121.29 2a57 s ILE 56 Ca 0.29 -1.65 0.07 0.00 0.00 0.00 0.00 60.65 59.37 2a57 s ILE 56 Cb -0.18 -1.89 -0.00 0.00 0.01 0.00 0.00 42.46 40.40 2a57 s ILE 56 CO 0.18 -0.67 0.48 -1.61 0.00 0.00 0.00 174.94 173.32 2a57 s GLU 57 N 1.41 2.88 0.06 2.79 2.02 -0.28 -5.00 118.70 122.58 2a57 s GLU 57 Ca 0.10 -1.21 -0.09 0.00 0.02 0.00 0.00 54.97 53.80 2a57 s GLU 57 Cb -0.18 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.35 2a57 s GLU 57 CO -0.21 -0.11 0.18 -1.54 0.02 0.00 0.00 175.26 173.61 2a57 s SER 58 N -4.22 0.08 0.23 -0.19 1.04 -1.26 -2.60 113.70 106.77 2a57 s SER 58 Ca 0.49 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.46 2a57 s SER 58 Cb -0.08 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 2a57 s SER 58 CO 0.31 -0.61 0.03 0.68 0.98 0.00 0.00 173.24 174.63 2a57 s VAL 59 N -3.02 0.79 0.00 5.02 -7.23 -0.59 -4.92 120.40 110.45 2a57 s VAL 59 Ca -0.02 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 2a57 s VAL 59 Cb 0.01 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2a57 s VAL 59 CO -0.06 -0.24 0.79 -2.65 -0.31 0.00 0.00 175.10 172.63 2a57 n PRO 60 N -0.40 0.00 -4.58 4.82 -0.02 -1.26 -2.00 135.00 131.56 2a57 n PRO 60 Ca -0.04 0.43 -0.27 0.00 -2.02 0.00 0.00 63.50 61.61 2a57 n PRO 60 Cb 0.65 -1.29 -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 -0.59 2.56 0.41 -1.23 0.00 -1.26 -0.55 107.32 106.67 2a57 s GLY 61 Ca 0.00 -1.40 0.18 0.00 0.00 0.00 0.00 44.72 43.50 2a57 s GLY 61 CO 0.00 -1.96 1.83 1.76 0.00 0.00 0.00 173.10 174.73 2a57 h SER 62 N 1.76 0.42 -0.71 1.64 0.02 -1.92 0.09 113.55 114.84 2a57 h SER 62 Ca -0.40 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 60.70 2a57 h SER 62 Cb 1.27 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.74 2a57 h SER 62 CO 0.68 0.15 0.47 -0.25 -1.14 0.00 0.00 176.83 176.74 2a57 h TRP 63 N 0.41 0.63 0.00 3.45 2.91 -1.96 -1.32 115.95 120.07 2a57 h TRP 63 Ca 0.50 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.54 2a57 h TRP 63 Cb 1.26 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.70 2a57 h TRP 63 CO -0.00 0.29 -0.04 0.39 -1.03 0.00 0.00 178.44 178.05 2a57 n GLU 64 N -4.49 0.00 0.05 2.65 4.71 0.02 -4.23 120.64 119.35 2a57 n GLU 64 Ca 0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.15 2a57 n GLU 64 Cb 0.35 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.22 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 -1.12 -0.53 -4.62 3.38 -1.26 0.30 115.31 111.46 2a57 h LEU 65 Ca 0.00 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.17 2a57 h LEU 65 Cb 0.50 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 2a57 h LEU 65 CO 0.00 -0.42 0.25 -0.65 0.09 0.00 0.00 178.44 177.71 2a57 h PRO 66 N -0.51 0.46 -0.67 1.13 0.11 -1.77 -1.19 132.00 129.56 2a57 h PRO 66 Ca 0.06 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 2a57 h PRO 66 Cb 0.61 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 2a57 h PRO 66 CO -0.31 0.30 0.12 1.96 -0.21 0.00 0.00 178.00 179.87 2a57 h GLN 67 N 0.47 1.10 -0.40 1.05 4.20 -1.71 -0.62 115.11 119.20 2a57 h GLN 67 Ca 0.24 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2a57 h GLN 67 Cb 0.19 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2a57 h GLN 67 CO -0.19 0.99 0.09 0.78 -0.67 0.00 0.00 178.83 179.82 2a57 h GLY 68 N 1.06 0.69 0.88 3.46 0.00 0.02 -2.30 103.07 106.89 2a57 h GLY 68 Ca 0.21 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2a57 h GLY 68 CO 0.01 0.41 0.06 -2.22 0.00 0.00 0.00 176.54 174.81 2a57 h ILE 69 N 0.50 1.16 -0.33 2.60 2.04 -1.06 -1.62 117.51 120.79 2a57 h ILE 69 Ca 0.12 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.58 2a57 h ILE 69 Cb 0.33 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 2a57 h ILE 69 CO 0.00 0.15 -0.17 -0.09 0.00 0.00 0.00 178.15 178.05 2a57 h ARG 70 N 0.11 -0.11 0.33 2.37 2.43 -1.01 0.28 114.38 118.77 2a57 h ARG 70 Ca 0.05 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2a57 h ARG 70 Cb 0.18 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2a57 h ARG 70 CO -0.00 -0.07 -0.49 0.00 -1.51 0.00 0.00 179.97 177.89 2a57 h ALA 71 N 1.13 -1.01 -0.76 2.80 0.00 -1.25 -2.25 119.26 117.92 2a57 h ALA 71 Ca 0.17 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2a57 h ALA 71 Cb 0.38 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2a57 h ALA 71 CO -0.41 -1.12 0.45 0.77 0.00 0.00 0.00 179.25 178.94 2a57 h SER 72 N -0.86 0.68 -0.28 0.00 0.02 -0.77 -0.65 113.55 111.69 2a57 h SER 72 Ca -0.03 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2a57 h SER 72 Cb 0.80 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2a57 h SER 72 CO -0.16 0.44 0.26 0.40 -1.14 0.00 0.00 176.83 176.63 2a57 h ILE 73 N 0.82 0.57 0.19 3.27 1.08 -0.14 -2.00 117.51 121.29 2a57 h ILE 73 Ca 0.34 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.52 2a57 h ILE 73 Cb 0.18 0.80 0.02 0.00 -3.07 0.00 0.00 36.82 34.76 2a57 h ILE 73 CO -0.18 0.00 -1.35 0.00 -0.69 0.00 0.00 178.15 175.93 2a57 h ALA 74 N 1.74 -0.02 0.98 1.87 0.00 -0.55 -3.39 119.26 119.90 2a57 h ALA 74 Ca 0.13 -0.92 -0.05 0.00 0.00 0.00 0.00 54.91 54.08 2a57 h ALA 74 Cb 0.65 0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2a57 h ALA 74 CO -0.00 0.70 -0.47 0.00 0.00 0.00 0.00 179.25 179.48 2a57 h ARG 75 N -0.08 -1.27 0.00 0.00 2.47 -0.89 -3.47 114.38 111.15 2a57 h ARG 75 Ca -0.26 0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 2a57 h ARG 75 Cb 1.94 0.29 0.00 0.00 -1.65 0.00 0.00 29.97 30.55 2a57 h ARG 75 CO 0.18 -0.84 0.00 0.09 0.56 0.00 0.00 179.97 179.96 2a57 n ASN 76 N -5.61 1.45 -4.07 7.04 3.02 -0.93 -5.13 115.26 111.03 2a57 n ASN 76 Ca -0.16 -0.63 -0.28 0.00 -0.03 0.00 0.00 54.58 53.48 2a57 n ASN 76 Cb 0.52 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 0.19 1.47 0.20 3.41 2.01 -1.26 -4.70 115.64 116.95 2a57 s THR 77 Ca 0.00 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.42 2a57 s THR 77 Cb 0.00 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 2a57 s THR 77 CO 0.00 0.43 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.94 2a57 s TYR 78 N 0.77 1.62 -0.13 4.92 2.02 -1.26 -4.90 117.35 120.40 2a57 s TYR 78 Ca -0.11 -0.65 0.21 0.00 -0.37 0.00 0.00 57.07 56.15 2a57 s TYR 78 Cb -0.16 -0.80 -0.19 0.00 -0.40 0.00 0.00 41.96 40.41 2a57 s TYR 78 CO 0.02 0.26 0.69 -0.25 -1.57 0.00 0.00 175.55 174.70 2a57 n ASP 79 N -0.36 0.41 -3.52 2.29 9.92 0.89 -4.98 116.55 121.20 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 1.15 -0.04 0.00 -0.64 0.00 0.00 41.12 42.20 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 -3.32 -1.81 0.02 2.24 0.00 -1.22 -4.23 121.76 113.45 2a57 s ALA 80 Ca -0.05 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.13 2a57 s ALA 80 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 2a57 s ALA 80 CO 0.85 -0.49 -0.05 0.54 0.00 0.00 0.00 175.76 176.60 2a57 s VAL 81 N -2.06 0.36 -0.16 0.00 0.11 -0.59 -1.34 120.40 116.72 2a57 s VAL 81 Ca -0.02 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.27 2a57 s VAL 81 Cb -0.01 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.44 2a57 s VAL 81 CO -0.01 -0.28 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.66 2a57 s ILE 82 N -1.03 2.27 -0.26 7.04 1.01 0.32 -0.53 121.20 130.01 2a57 s ILE 82 Ca -0.08 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 2a57 s ILE 82 Cb -0.08 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2a57 s ILE 82 CO -0.00 0.53 0.26 -0.83 0.00 0.00 0.00 174.94 174.90 2a57 s GLY 83 N 0.99 1.94 -0.07 6.18 0.00 -0.59 -1.73 107.32 114.04 2a57 s GLY 83 Ca -0.02 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.83 2a57 s GLY 83 CO -0.05 0.71 -0.19 -0.42 0.00 0.00 0.00 173.10 173.15 2a57 s ILE 84 N 1.66 1.67 0.01 0.90 1.01 -0.10 0.26 121.20 126.60 2a57 s ILE 84 Ca 0.11 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 2a57 s ILE 84 Cb -0.15 -1.46 0.10 0.00 0.01 0.00 0.00 42.46 40.96 2a57 s ILE 84 CO 0.09 0.47 0.96 -0.83 0.00 0.00 0.00 174.94 175.64 2a57 s GLY 85 N 0.32 -0.39 -0.05 6.18 0.00 -0.49 -1.37 107.32 111.52 2a57 s GLY 85 Ca -0.13 0.87 -0.00 0.00 0.00 0.00 0.00 44.72 45.45 2a57 s GLY 85 CO 0.06 0.27 -0.00 -1.34 0.00 0.00 0.00 173.10 172.09 2a57 s VAL 86 N -3.03 0.29 -0.15 1.40 -7.23 -1.26 -0.87 120.40 109.55 2a57 s VAL 86 Ca 0.08 0.10 -0.05 0.00 -1.81 0.00 0.00 61.98 60.30 2a57 s VAL 86 Cb -0.01 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 2a57 s VAL 86 CO -0.06 0.21 0.00 -0.76 -0.31 0.00 0.00 175.10 174.18 2a57 s LEU 87 N 1.49 3.48 -0.11 1.32 1.43 0.12 -4.80 118.68 121.62 2a57 s LEU 87 Ca -0.03 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2a57 s LEU 87 Cb -0.13 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2a57 s LEU 87 CO -0.03 0.20 -0.17 -0.63 0.23 0.00 0.00 176.35 175.95 2a57 s ILE 88 N 0.19 2.70 0.19 -0.59 1.01 -1.26 -1.21 121.20 122.23 2a57 s ILE 88 Ca 0.00 -0.80 -0.33 0.00 0.00 0.00 0.00 60.65 59.52 2a57 s ILE 88 Cb -0.13 -2.09 -0.13 0.00 0.01 0.00 0.00 42.46 40.12 2a57 s ILE 88 CO 0.02 0.55 1.61 1.17 0.00 0.00 0.00 174.94 178.29 2a57 n LYS 89 N 3.34 2.38 0.00 2.79 0.00 -0.49 -4.87 118.16 121.31 2a57 n LYS 89 Ca -0.18 0.86 0.00 0.00 0.00 0.00 0.00 58.31 58.99 2a57 n LYS 89 Cb 0.53 -2.65 0.00 0.00 0.00 0.00 0.00 35.03 32.91 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 3.42 4.47 0.17 3.14 0.00 -1.26 -4.84 105.19 110.28 2a57 n GLY 90 Ca 0.16 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.47 1.61 0.02 -2.02 -3.47 113.55 105.21 2a57 h SER 91 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2a57 h SER 91 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2a57 h SER 91 CO 0.00 0.15 -0.04 0.35 -1.14 0.00 0.00 176.83 176.15 2a57 n THR 92 N -3.01 0.00 1.53 -2.27 -2.24 -1.26 -5.02 114.28 102.02 2a57 n THR 92 Ca 0.01 -0.57 0.14 0.00 -2.27 0.00 0.00 64.05 61.36 2a57 n THR 92 Cb 0.60 -0.65 0.56 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.14 1.58 -0.24 -0.78 0.00 -1.26 -4.31 117.12 110.97 2a57 n MET 93 Ca 0.02 -0.86 0.04 0.00 0.00 0.00 0.00 57.70 56.90 2a57 n MET 93 Cb 0.17 -1.48 0.15 0.00 0.00 0.00 0.00 33.22 32.06 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 2.11 0.05 -0.19 2.03 -0.00 -1.96 -1.70 115.15 115.49 2a57 h HIS 94 Ca 0.00 0.05 0.05 0.00 -0.00 0.00 0.00 60.37 60.47 2a57 h HIS 94 Cb 0.46 0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 27.90 2a57 h HIS 94 CO 0.00 -0.18 -0.17 0.35 -0.00 0.00 0.00 177.93 177.93 2a57 h PHE 95 N 0.15 -0.42 -0.37 5.26 3.57 -1.90 -0.63 116.94 122.60 2a57 h PHE 95 Ca 0.39 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.96 2a57 h PHE 95 Cb 0.68 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 2a57 h PHE 95 CO -0.36 -0.24 0.15 0.93 -2.23 0.00 0.00 178.31 176.56 2a57 h GLU 96 N -0.18 0.31 -0.29 1.11 3.07 -1.63 -1.84 114.58 115.13 2a57 h GLU 96 Ca 0.12 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.82 2a57 h GLU 96 Cb 0.35 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2a57 h GLU 96 CO -0.30 0.20 -0.34 1.88 -1.40 0.00 0.00 179.01 179.06 2a57 h TYR 97 N 0.32 0.90 -0.15 4.33 0.05 -1.12 -2.26 116.97 119.03 2a57 h TYR 97 Ca 0.16 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 2a57 h TYR 97 Cb 0.12 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 2a57 h TYR 97 CO -0.13 1.05 0.09 0.82 -1.05 0.00 0.00 178.16 178.94 2a57 h ILE 98 N 0.49 1.09 -0.20 -2.88 1.08 -1.09 -2.07 117.51 113.93 2a57 h ILE 98 Ca 0.04 -0.23 0.06 0.00 -0.39 0.00 0.00 64.86 64.34 2a57 h ILE 98 Cb 0.92 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 35.57 2a57 h ILE 98 CO 0.08 0.08 -0.25 0.28 -0.69 0.00 0.00 178.15 177.65 2a57 h SER 99 N 0.16 -0.80 -0.37 1.72 0.02 -1.30 0.31 113.55 113.29 2a57 h SER 99 Ca 0.05 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2a57 h SER 99 Cb 0.05 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 2a57 h SER 99 CO -0.01 -0.29 0.23 -0.08 -1.14 0.00 0.00 176.83 175.54 2a57 h GLU 100 N -0.28 0.50 -0.45 3.45 4.81 -1.37 -1.57 114.58 119.66 2a57 h GLU 100 Ca 0.12 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2a57 h GLU 100 Cb 0.47 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2a57 h GLU 100 CO -0.37 0.36 0.11 0.00 -0.73 0.00 0.00 179.01 178.38 2a57 h ALA 101 N 1.11 0.60 -0.42 2.92 0.00 -0.86 -1.90 119.26 120.71 2a57 h ALA 101 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2a57 h ALA 101 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2a57 h ALA 101 CO -0.03 0.28 0.09 0.28 0.00 0.00 0.00 179.25 179.87 2a57 h VAL 102 N 0.60 1.24 -0.66 0.00 2.07 -0.29 0.11 116.25 119.32 2a57 h VAL 102 Ca 0.14 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2a57 h VAL 102 Cb 0.32 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 2a57 h VAL 102 CO 0.00 0.29 0.22 0.58 0.02 0.00 0.00 177.57 178.68 2a57 h VAL 103 N 0.55 1.25 -0.57 2.57 2.07 -1.22 -0.50 116.25 120.39 2a57 h VAL 103 Ca 0.13 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 2a57 h VAL 103 Cb 0.35 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2a57 h VAL 103 CO 0.00 0.33 0.03 0.45 0.02 0.00 0.00 177.57 178.40 2a57 h HIS 104 N 0.96 1.05 -0.16 1.57 3.86 -1.19 -2.70 115.15 118.53 2a57 h HIS 104 Ca 0.22 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2a57 h HIS 104 Cb 0.28 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2a57 h HIS 104 CO 0.02 0.92 0.11 0.78 0.86 0.00 0.00 177.93 180.62 2a57 h GLY 105 N 1.01 0.23 1.00 2.45 0.00 -0.29 -1.17 103.07 106.30 2a57 h GLY 105 Ca 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2a57 h GLY 105 CO 0.02 0.08 0.44 1.41 0.00 0.00 0.00 176.54 178.49 2a57 h LEU 106 N 0.22 0.86 -0.83 3.11 3.38 -1.06 -0.55 115.31 120.44 2a57 h LEU 106 Ca 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2a57 h LEU 106 Cb -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2a57 h LEU 106 CO -0.01 0.66 0.48 -0.03 0.09 0.00 0.00 178.44 179.63 2a57 h MET 107 N 0.98 1.14 0.25 1.13 4.05 -1.24 -2.08 114.93 119.15 2a57 h MET 107 Ca 0.26 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 2a57 h MET 107 Cb -0.04 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.53 2a57 h MET 107 CO -0.05 0.82 -0.12 -0.09 0.23 0.00 0.00 176.91 177.70 2a57 h ARG 108 N 1.14 -0.32 -0.93 0.39 2.43 -0.46 -1.31 114.38 115.32 2a57 h ARG 108 Ca 0.30 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.67 2a57 h ARG 108 Cb -0.02 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.53 2a57 h ARG 108 CO -0.05 -0.07 0.60 0.28 -1.51 0.00 0.00 179.97 179.22 2a57 h VAL 109 N -0.54 0.72 0.04 0.20 2.07 -1.00 0.18 116.25 117.92 2a57 h VAL 109 Ca -0.03 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2a57 h VAL 109 Cb 0.40 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2a57 h VAL 109 CO 0.06 0.11 -0.02 1.23 0.02 0.00 0.00 177.57 178.96 2a57 h GLY 110 N 0.58 -0.06 1.88 2.17 0.00 -1.13 -2.24 103.07 104.26 2a57 h GLY 110 Ca 0.50 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.79 2a57 h GLY 110 CO -0.24 -0.02 -0.23 1.41 0.00 0.00 0.00 176.54 177.46 2a57 h LEU 111 N -0.56 0.14 -0.03 3.11 3.38 -0.48 0.57 115.31 121.44 2a57 h LEU 111 Ca -0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2a57 h LEU 111 Cb 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2a57 h LEU 111 CO 0.01 0.38 -0.18 0.44 0.09 0.00 0.00 178.44 179.18 2a57 h ASP 112 N 0.14 0.21 0.80 -0.43 3.32 -0.72 -3.34 116.42 116.39 2a57 h ASP 112 Ca 0.02 -0.68 -0.16 0.00 0.02 0.00 0.00 57.03 56.23 2a57 h ASP 112 Cb 0.48 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2a57 h ASP 112 CO 0.03 0.86 -0.75 0.77 -1.72 0.00 0.00 179.24 178.43 2a57 h SER 113 N -0.43 0.00 0.00 6.45 4.64 -1.30 -3.47 113.55 119.44 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 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2a57 h SER 113 CO 0.04 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 2a57 n GLY 114 N 0.70 1.15 3.72 -0.77 0.00 0.18 -5.02 105.19 105.16 2a57 n GLY 114 Ca -0.01 0.00 -0.37 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 -2.98 5.23 0.24 1.61 1.01 -1.22 -5.03 120.40 119.25 2a57 s VAL 115 Ca 0.00 0.82 -0.31 0.00 0.00 0.00 0.00 61.98 62.49 2a57 s VAL 115 Cb 0.00 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 2a57 s VAL 115 CO 0.00 0.34 1.67 -2.84 0.00 0.00 0.00 175.10 174.28 2a57 s PRO 116 N 0.59 4.12 -0.20 2.72 0.02 -1.26 -4.50 135.00 136.48 2a57 s PRO 116 Ca 0.23 2.60 0.01 0.00 0.02 0.00 0.00 61.00 63.86 2a57 s PRO 116 Cb -0.14 -3.05 0.03 0.00 0.02 0.00 0.00 34.50 31.35 2a57 s PRO 116 CO 0.08 -0.71 -0.17 0.08 -0.33 0.00 0.00 177.00 175.95 2a57 s VAL 117 N 0.71 2.11 -0.05 3.83 1.01 -1.26 -1.53 120.40 125.22 2a57 s VAL 117 Ca 0.70 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 2a57 s VAL 117 Cb -0.49 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 2a57 s VAL 117 CO 0.38 0.38 0.57 -0.63 0.00 0.00 0.00 175.10 175.80 2a57 s ILE 118 N 1.24 5.04 -0.54 2.22 1.09 0.31 -4.98 121.20 125.57 2a57 s ILE 118 Ca 0.01 1.16 -0.25 0.00 -1.10 0.00 0.00 60.65 60.48 2a57 s ILE 118 Cb -0.15 -3.90 0.04 0.00 -1.06 0.00 0.00 42.46 37.39 2a57 s ILE 118 CO -0.11 0.36 0.97 -0.22 -0.10 0.00 0.00 174.94 175.85 2a57 s LEU 119 N 0.23 4.00 -0.45 2.97 2.96 -1.26 -1.54 118.68 125.59 2a57 s LEU 119 Ca 0.30 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 2a57 s LEU 119 Cb -0.17 -2.93 0.44 0.00 0.50 0.00 0.00 46.19 44.03 2a57 s LEU 119 CO 0.15 -1.24 1.40 0.61 -1.32 0.00 0.00 176.35 175.95 2a57 n GLY 120 N 5.09 6.13 3.62 7.98 0.00 0.14 -4.96 105.19 123.18 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 -3.67 3.93 -0.18 0.99 0.20 -1.24 -1.39 118.68 117.32 2a57 s LEU 121 Ca 0.53 0.05 -0.05 0.00 0.69 0.00 0.00 54.13 55.35 2a57 s LEU 121 Cb 0.43 -2.04 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 2a57 s LEU 121 CO -0.07 0.07 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.30 2a57 s LEU 122 N 0.99 3.31 -0.48 -0.68 1.43 -0.05 -4.96 118.68 118.25 2a57 s LEU 122 Ca 0.06 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2a57 s LEU 122 Cb -0.14 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.38 2a57 s LEU 122 CO 0.04 0.11 0.22 0.42 0.23 0.00 0.00 176.35 177.37 2a57 s THR 123 N 0.70 2.59 0.38 5.49 -4.23 -1.26 0.12 115.64 119.43 2a57 s THR 123 Ca -0.00 -3.08 0.08 0.00 -1.18 0.00 0.00 61.69 57.51 2a57 s THR 123 Cb -0.14 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 2a57 s THR 123 CO 0.02 -0.76 0.17 0.68 -0.54 0.00 0.00 174.62 174.19 2a57 s VAL 124 N -0.00 2.63 -0.07 2.29 -7.23 -0.35 -5.00 120.40 112.67 2a57 s VAL 124 Ca 0.16 -1.68 0.13 0.00 -1.81 0.00 0.00 61.98 58.78 2a57 s VAL 124 Cb -0.24 -2.97 -0.12 0.00 0.56 0.00 0.00 36.38 33.61 2a57 s VAL 124 CO -0.02 -0.08 1.06 -0.07 -0.31 0.00 0.00 175.10 175.67 2a57 h LEU 125 N 1.46 0.00 -7.20 1.32 -0.00 -1.93 -1.31 115.31 107.66 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 -0.14 0.00 -0.00 0.00 0.00 40.66 41.78 2a57 h LEU 125 CO 0.66 0.73 0.06 0.54 -0.00 0.00 0.00 178.44 180.42 2a57 s ASN 126 N -6.21 -0.41 0.36 -0.43 2.20 -1.26 -4.11 114.94 105.07 2a57 s ASN 126 Ca -0.01 -0.05 0.13 0.00 -0.94 0.00 0.00 52.86 52.00 2a57 s ASN 126 Cb 0.09 0.52 0.96 0.00 -2.00 0.00 0.00 41.25 40.82 2a57 s ASN 126 CO 0.80 -0.85 1.77 -0.08 -2.94 0.00 0.00 177.10 175.80 2a57 h GLU 127 N 2.39 0.52 -0.32 3.55 4.57 -1.97 -1.40 114.58 121.91 2a57 h GLU 127 Ca -0.33 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 57.85 2a57 h GLU 127 Cb 1.26 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 2a57 h GLU 127 CO 0.42 0.34 0.13 0.93 -1.18 0.00 0.00 179.01 179.65 2a57 h GLU 128 N 0.53 0.27 -0.48 1.92 3.07 -1.99 -0.78 114.58 117.12 2a57 h GLU 128 Ca 0.59 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.50 2a57 h GLU 128 Cb 1.26 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 2a57 h GLU 128 CO -0.35 0.18 0.32 1.96 -1.40 0.00 0.00 179.01 179.72 2a57 h GLN 129 N 0.28 0.36 0.28 2.33 4.20 -1.68 -0.46 115.11 120.42 2a57 h GLN 129 Ca 0.14 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2a57 h GLN 129 Cb 0.10 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2a57 h GLN 129 CO -0.13 0.24 -0.13 0.00 -0.67 0.00 0.00 178.83 178.13 2a57 h ALA 130 N 1.75 -0.38 -0.94 3.87 0.00 -1.12 -2.77 119.26 119.67 2a57 h ALA 130 Ca 0.21 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2a57 h ALA 130 Cb 0.36 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2a57 h ALA 130 CO -0.05 -0.49 0.58 -0.07 0.00 0.00 0.00 179.25 179.23 2a57 h LEU 131 N -0.83 0.89 -0.85 0.00 3.38 -0.85 -0.53 115.31 116.52 2a57 h LEU 131 Ca -0.04 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2a57 h LEU 131 Cb 0.51 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 2a57 h LEU 131 CO 0.06 0.53 0.53 0.22 0.09 0.00 0.00 178.44 179.88 2a57 h TYR 132 N 1.00 0.99 -0.00 1.13 3.20 -1.10 0.19 116.97 122.39 2a57 h TYR 132 Ca 0.43 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.33 2a57 h TYR 132 Cb 0.30 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2a57 h TYR 132 CO -0.02 0.54 -0.01 0.54 -1.64 0.00 0.00 178.16 177.57 2a57 n ARG 133 N -4.60 0.50 -0.40 1.82 1.74 -0.31 -2.42 116.66 112.99 2a57 n ARG 133 Ca 0.11 -0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.29 2a57 n ARG 133 Cb 0.14 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.39 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 2.53 -0.03 7.54 0.00 -0.01 -1.53 120.51 127.77 2a57 n ALA 134 Ca 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2a57 n ALA 134 Cb 0.23 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.51 1.08 3.91 0.00 0.00 -1.02 -4.54 105.19 106.13 2a57 n GLY 135 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 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 2.57 -1.76 0.99 1.02 -0.79 -4.01 118.68 116.70 2a57 s LEU 136 Ca 0.00 0.70 -0.19 0.00 0.02 0.00 0.00 54.13 54.66 2a57 s LEU 136 Cb 0.00 -3.23 0.18 0.00 0.02 0.00 0.00 46.19 43.16 2a57 s LEU 136 CO 0.00 -1.84 0.65 0.59 0.02 0.00 0.00 176.35 175.78 2a57 n ASN 137 N -3.23 -2.35 0.00 2.29 5.03 -1.26 -1.16 115.26 114.59 2a57 n ASN 137 Ca 0.08 -1.13 0.00 0.00 0.87 0.00 0.00 54.58 54.40 2a57 n ASN 137 Cb 0.61 -2.22 0.00 0.00 -1.02 0.00 0.00 39.78 37.15 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 -1.34 0.90 3.96 7.41 0.00 -1.26 -4.98 105.19 109.87 2a57 n GLY 138 Ca 0.06 0.00 -0.24 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 -1.61 1.76 -0.17 -0.02 0.00 -0.31 -5.08 107.32 101.89 2a57 s GLY 139 Ca 0.00 -1.24 -0.15 0.00 0.00 0.00 0.00 44.72 43.33 2a57 s GLY 139 CO 0.00 -0.82 0.35 -1.58 0.00 0.00 0.00 173.10 171.05 2a57 s HIS 140 N -3.10 3.44 -0.22 1.90 5.65 -1.23 -4.19 115.29 117.54 2a57 s HIS 140 Ca 0.61 0.65 -0.29 0.00 0.25 0.00 0.00 55.06 56.28 2a57 s HIS 140 Cb -0.09 -2.43 -0.02 0.00 -1.18 0.00 0.00 32.58 28.86 2a57 s HIS 140 CO 0.43 0.15 1.44 1.21 -0.65 0.00 0.00 174.74 177.32 2a57 s ASN 141 N 0.67 6.63 0.51 9.88 3.84 -1.26 -3.63 114.94 131.57 2a57 s ASN 141 Ca 0.19 1.56 0.29 0.00 0.21 0.00 0.00 52.86 55.11 2a57 s ASN 141 Cb -0.14 -2.54 0.98 0.00 -0.55 0.00 0.00 41.25 39.00 2a57 s ASN 141 CO 0.06 -1.06 1.84 0.45 -2.79 0.00 0.00 177.10 175.61 2a57 h HIS 142 N 9.58 0.00 -0.16 0.43 3.86 -1.59 -3.06 115.15 124.21 2a57 h HIS 142 Ca -0.30 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 58.93 2a57 h HIS 142 Cb 1.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 2a57 h HIS 142 CO 0.87 0.01 0.11 0.78 0.86 0.00 0.00 177.93 180.57 2a57 h GLY 143 N 2.76 0.16 0.90 2.45 0.00 -1.82 -1.27 103.07 106.25 2a57 h GLY 143 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2a57 h GLY 143 CO 0.00 0.05 -0.04 3.43 0.00 0.00 0.00 176.54 179.98 2a57 h ASN 144 N 0.15 -0.10 -0.76 0.19 -0.26 -1.68 -0.57 115.58 112.55 2a57 h ASN 144 Ca 0.07 -0.09 0.09 0.00 -0.56 0.00 0.00 56.30 55.81 2a57 h ASN 144 Cb 0.09 0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 37.31 2a57 h ASN 144 CO -0.01 0.02 0.42 0.44 -1.06 0.00 0.00 177.43 177.24 2a57 h ASP 145 N -0.22 0.59 -0.85 5.81 3.32 -1.44 -1.05 116.42 122.59 2a57 h ASP 145 Ca -0.01 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2a57 h ASP 145 Cb 0.18 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2a57 h ASP 145 CO 0.02 0.34 0.41 -0.50 -1.72 0.00 0.00 179.24 177.79 2a57 h TRP 146 N 0.72 1.23 0.32 4.55 6.55 -1.05 -1.29 115.95 126.97 2a57 h TRP 146 Ca 0.36 -0.06 -0.01 0.00 0.95 0.00 0.00 58.89 60.14 2a57 h TRP 146 Cb 0.33 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 28.23 2a57 h TRP 146 CO -0.08 0.88 -0.24 0.78 -1.05 0.00 0.00 178.44 178.73 2a57 h GLY 147 N 1.21 -0.59 0.79 1.49 0.00 0.19 0.45 103.07 106.60 2a57 h GLY 147 Ca 0.29 0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.96 2a57 h GLY 147 CO -0.04 -0.23 0.65 1.76 0.00 0.00 0.00 176.54 178.68 2a57 h SER 148 N -0.56 1.04 -0.62 0.19 0.02 -1.23 -1.88 113.55 110.51 2a57 h SER 148 Ca -0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2a57 h SER 148 Cb 0.49 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 2a57 h SER 148 CO -0.01 0.68 0.32 0.00 -1.14 0.00 0.00 176.83 176.68 2a57 h ALA 149 N 1.45 0.80 -0.12 3.77 0.00 -0.72 -0.56 119.26 123.89 2a57 h ALA 149 Ca 0.42 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2a57 h ALA 149 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2a57 h ALA 149 CO -0.16 0.34 -0.03 0.00 0.00 0.00 0.00 179.25 179.40 2a57 h ALA 150 N 1.15 0.07 -0.00 0.00 0.00 -0.25 -0.13 119.26 120.10 2a57 h ALA 150 Ca 0.22 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2a57 h ALA 150 Cb 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2a57 h ALA 150 CO -0.03 -0.49 -0.09 0.28 0.00 0.00 0.00 179.25 178.93 2a57 h VAL 151 N -0.00 0.78 -0.20 0.00 2.07 -1.00 0.37 116.25 118.27 2a57 h VAL 151 Ca 0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2a57 h VAL 151 Cb 0.09 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2a57 h VAL 151 CO -0.12 0.00 0.08 -0.08 0.02 0.00 0.00 177.57 177.46 2a57 h GLU 152 N -0.15 0.17 -0.39 1.57 4.81 -0.82 -2.10 114.58 117.67 2a57 h GLU 152 Ca 0.03 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2a57 h GLU 152 Cb 0.19 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2a57 h GLU 152 CO -0.09 0.11 -0.02 0.52 -0.73 0.00 0.00 179.01 178.81 2a57 h MET 153 N 0.18 0.63 -0.02 1.92 2.86 -0.86 -2.03 114.93 117.62 2a57 h MET 153 Ca 0.09 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2a57 h MET 153 Cb 0.05 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 2a57 h MET 153 CO -0.08 0.67 0.01 0.78 1.06 0.00 0.00 176.91 179.35 2a57 h GLY 154 N 0.92 0.02 0.91 8.32 0.00 -0.50 -1.44 103.07 111.30 2a57 h GLY 154 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2a57 h GLY 154 CO 0.02 0.01 -0.14 1.41 0.00 0.00 0.00 176.54 177.83 2a57 h LEU 155 N 0.02 -0.33 -2.57 3.11 3.38 -1.23 -2.28 115.31 115.41 2a57 h LEU 155 Ca 0.01 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2a57 h LEU 155 Cb 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2a57 h LEU 155 CO -0.00 -0.16 0.12 0.11 0.09 0.00 0.00 178.44 178.60 2a57 h LYS 156 N -0.49 0.00 -0.41 1.13 1.57 -1.32 0.58 116.57 117.63 2a57 h LYS 156 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2a57 h LYS 156 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2a57 h LYS 156 CO 0.07 0.00 -0.25 0.00 -0.57 0.00 0.00 179.45 178.70 2a57 h ALA 157 N 1.79 0.79 0.00 3.86 0.00 -0.65 -3.51 119.26 121.54 2a57 h ALA 157 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2a57 h ALA 157 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2a57 h ALA 157 CO -0.00 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.18