#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 1.44 -0.40 3.23 1.02 -1.26 -4.45 119.74 119.31 2a57 s LYS 14 Ca 0.00 -0.91 0.06 0.00 0.02 0.00 0.00 55.97 55.14 2a57 s LYS 14 Cb 0.00 -1.52 0.21 0.00 -0.52 0.00 0.00 37.83 36.00 2a57 s LYS 14 CO 0.00 0.39 0.44 0.41 -0.92 0.00 0.00 175.35 175.68 2a57 n GLY 15 N 1.97 2.40 0.23 -3.33 0.00 0.75 -4.96 105.19 102.24 2a57 n GLY 15 Ca -0.17 -1.37 -0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 4.79 0.30 -0.23 1.61 0.11 -1.74 -2.77 132.00 134.07 2a57 h PRO 16 Ca 0.16 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2a57 h PRO 16 Cb 0.90 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2a57 h PRO 16 CO 0.41 0.52 0.00 0.39 -0.21 0.00 0.00 178.00 179.11 2a57 n GLU 17 N -4.17 1.64 -2.95 1.05 1.02 -1.26 -4.39 120.64 111.59 2a57 n GLU 17 Ca -0.01 -0.99 -0.40 0.00 -0.02 0.00 0.00 57.16 55.75 2a57 n GLU 17 Cb 0.36 -1.29 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.23 4.58 -0.21 -4.62 1.43 -1.04 -5.05 118.68 112.54 2a57 s LEU 18 Ca 0.24 1.66 -0.03 0.00 -1.03 0.00 0.00 54.13 54.97 2a57 s LEU 18 Cb 0.13 -3.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.00 2a57 s LEU 18 CO 0.18 0.17 -0.06 -0.13 0.23 0.00 0.00 176.35 176.75 2a57 s ARG 19 N -0.98 3.38 -0.04 1.70 0.52 -1.26 -4.73 118.95 117.54 2a57 s ARG 19 Ca 0.37 -0.63 0.06 0.00 -0.52 0.00 0.00 55.73 55.01 2a57 s ARG 19 Cb -0.23 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.27 2a57 s ARG 19 CO 0.27 -0.14 -0.21 0.42 0.02 0.00 0.00 175.30 175.66 2a57 s ILE 20 N 1.31 2.47 -0.07 1.52 -1.09 -0.23 -0.04 121.20 125.07 2a57 s ILE 20 Ca 0.04 -0.94 0.01 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 38.79 2a57 s ILE 20 CO -0.03 0.58 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.97 2a57 s LEU 21 N -0.56 3.12 -0.16 2.97 2.96 -0.50 -1.09 118.68 125.42 2a57 s LEU 21 Ca 0.08 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2a57 s LEU 21 Cb -0.11 -1.68 0.04 0.00 0.50 0.00 0.00 46.19 44.95 2a57 s LEU 21 CO 0.00 0.36 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.74 2a57 s ILE 22 N -0.78 0.88 -0.10 6.68 1.01 -0.15 -0.62 121.20 128.12 2a57 s ILE 22 Ca 0.12 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2a57 s ILE 22 Cb -0.11 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 2a57 s ILE 22 CO 0.01 0.05 -0.11 -0.69 0.00 0.00 0.00 174.94 174.21 2a57 s VAL 23 N 1.73 3.26 0.03 2.92 1.01 -0.70 -1.10 120.40 127.55 2a57 s VAL 23 Ca 0.01 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2a57 s VAL 23 Cb -0.15 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 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 -0.13 0.40 0.83 5.22 -3.43 -1.10 -1.05 115.29 116.03 2a57 s HIS 24 Ca -0.00 -0.53 -0.08 0.00 -0.80 0.00 0.00 55.06 53.64 2a57 s HIS 24 Cb -0.13 -0.26 0.16 0.00 -1.43 0.00 0.00 32.58 30.91 2a57 s HIS 24 CO 0.03 -0.16 1.15 0.00 -2.00 0.00 0.00 174.74 173.76 2a57 s ALA 25 N -1.50 2.99 -0.73 -1.38 0.00 -0.44 -1.56 121.76 119.14 2a57 s ALA 25 Ca -0.13 -1.44 0.06 0.00 0.00 0.00 0.00 51.96 50.45 2a57 s ALA 25 Cb -0.10 -2.40 0.03 0.00 0.00 0.00 0.00 23.12 20.66 2a57 s ALA 25 CO -0.01 -1.91 0.63 0.54 0.00 0.00 0.00 175.76 175.01 2a57 n ARG 26 N -3.28 0.84 -2.31 0.00 1.74 0.24 -4.81 116.66 109.09 2a57 n ARG 26 Ca 0.15 -0.74 -0.36 0.00 -0.77 0.00 0.00 57.85 56.14 2a57 n ARG 26 Cb 0.60 -1.06 -0.01 0.00 -1.02 0.00 0.00 32.46 30.97 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 -0.73 2.80 -1.51 -1.55 1.51 -1.22 -3.11 117.35 113.54 2a57 s TYR 27 Ca 0.07 1.55 -0.10 0.00 -1.01 0.00 0.00 57.07 57.58 2a57 s TYR 27 Cb 0.05 -3.28 0.07 0.00 -0.11 0.00 0.00 41.96 38.70 2a57 s TYR 27 CO 0.11 -1.41 0.79 0.09 -1.11 0.00 0.00 175.55 174.02 2a57 n ASN 28 N -0.97 -3.03 0.05 2.29 4.13 -1.26 -4.66 115.26 111.80 2a57 n ASN 28 Ca 0.10 -0.88 0.22 0.00 1.68 0.00 0.00 54.58 55.70 2a57 n ASN 28 Cb 0.50 -3.53 0.72 0.00 -1.54 0.00 0.00 39.78 35.93 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 -2.06 3.41 5.85 -1.90 -0.42 115.31 118.31 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 0.67 0.00 -0.08 -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 -2.53 115.11 116.08 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 1.25 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.87 2a57 h GLN 30 CO -0.00 0.08 -2.37 0.00 -1.93 0.00 0.00 178.83 174.61 2a57 n ALA 31 N -2.24 1.48 0.27 3.38 0.00 -0.19 -4.54 120.51 118.67 2a57 n ALA 31 Ca -0.02 -1.25 -0.16 0.00 0.00 0.00 0.00 53.44 52.01 2a57 n ALA 31 Cb 0.21 -0.20 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 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 0.32 -0.40 0.00 1.08 -1.24 -3.17 117.51 114.10 2a57 h ILE 32 Ca -0.54 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.00 2a57 h ILE 32 Cb 2.15 0.32 -0.09 0.00 -3.07 0.00 0.00 36.82 36.13 2a57 h ILE 32 CO 0.01 0.00 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.78 2a57 h GLU 33 N -0.78 -0.27 -0.90 2.37 5.08 -1.70 -0.62 114.58 117.77 2a57 h GLU 33 Ca -0.05 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.46 2a57 h GLU 33 Cb 0.66 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 2a57 h GLU 33 CO 0.02 -0.18 0.58 -1.35 -1.00 0.00 0.00 179.01 177.08 2a57 h PRO 34 N -0.28 0.74 0.21 2.33 0.11 -1.80 -0.73 132.00 132.59 2a57 h PRO 34 Ca 0.16 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 2a57 h PRO 34 Cb 0.55 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2a57 h PRO 34 CO -0.55 0.49 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.56 2a57 h LEU 35 N 0.76 -0.23 -0.07 2.35 3.38 -1.14 -0.80 115.31 119.56 2a57 h LEU 35 Ca 0.45 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.33 2a57 h LEU 35 Cb 0.63 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2a57 h LEU 35 CO -0.21 -0.02 -0.12 0.58 0.09 0.00 0.00 178.44 178.76 2a57 h VAL 36 N -0.45 0.68 -0.04 1.22 2.07 -0.66 -1.14 116.25 117.93 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 0.34 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 2a57 h VAL 36 CO 0.05 0.00 -0.39 0.11 0.02 0.00 0.00 177.57 177.35 2a57 h LYS 37 N -0.17 -0.50 -0.94 1.57 6.56 -1.09 0.10 116.57 122.10 2a57 h LYS 37 Ca 0.07 0.03 0.14 0.00 -1.06 0.00 0.00 60.65 59.83 2a57 h LYS 37 Cb 0.26 0.11 -0.09 0.00 -0.57 0.00 0.00 32.23 31.95 2a57 h LYS 37 CO -0.17 -0.34 0.55 0.78 -2.06 0.00 0.00 179.45 178.21 2a57 h GLY 38 N -0.52 1.56 0.93 3.86 0.00 -0.88 0.29 103.07 108.30 2a57 h GLY 38 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2a57 h GLY 38 CO -0.33 0.04 0.03 0.00 0.00 0.00 0.00 176.54 176.29 2a57 h ALA 39 N 1.56 0.07 0.48 3.60 0.00 -0.21 -0.76 119.26 124.00 2a57 h ALA 39 Ca 0.49 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 2a57 h ALA 39 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2a57 h ALA 39 CO -0.32 -0.39 -0.23 0.28 0.00 0.00 0.00 179.25 178.59 2a57 h VAL 40 N 0.01 0.45 -0.53 0.00 2.07 0.01 -2.30 116.25 115.95 2a57 h VAL 40 Ca 0.02 -0.37 0.11 0.00 0.82 0.00 0.00 66.70 67.28 2a57 h VAL 40 Cb 0.07 0.59 -0.10 0.00 -1.52 0.00 0.00 31.29 30.34 2a57 h VAL 40 CO -0.00 0.06 -0.14 -0.33 0.02 0.00 0.00 177.57 177.17 2a57 h GLU 41 N -0.89 -0.01 -0.42 1.57 5.08 -0.49 -1.32 114.58 118.09 2a57 h GLU 41 Ca -0.07 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2a57 h GLU 41 Cb 0.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2a57 h GLU 41 CO 0.11 -0.01 0.24 1.15 -1.00 0.00 0.00 179.01 179.50 2a57 h THR 42 N -0.01 1.03 -0.31 1.13 2.02 -1.14 0.19 112.91 115.82 2a57 h THR 42 Ca 0.25 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.29 2a57 h THR 42 Cb 0.40 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2a57 h THR 42 CO -0.55 0.09 0.13 0.24 0.37 0.00 0.00 175.52 175.79 2a57 h MET 43 N 0.49 0.27 0.00 6.66 2.86 -0.71 0.35 114.93 124.85 2a57 h MET 43 Ca 0.17 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2a57 h MET 43 Cb 0.03 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2a57 h MET 43 CO -0.09 0.18 0.00 -0.89 1.06 0.00 0.00 176.91 177.17 2a57 n ILE 44 N -5.00 0.00 -0.35 -1.22 5.41 -0.59 -1.05 119.36 116.56 2a57 n ILE 44 Ca -0.00 0.92 0.23 0.00 1.00 0.00 0.00 62.75 64.90 2a57 n ILE 44 Cb 0.09 -1.76 0.47 0.00 -0.71 0.00 0.00 39.64 37.74 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 0.36 0.00 0.38 5.08 -0.70 -1.42 114.58 118.28 2a57 h GLU 45 Ca 0.00 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2a57 h GLU 45 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2a57 h GLU 45 CO 0.00 0.24 -1.75 1.63 -1.00 0.00 0.00 179.01 178.13 2a57 n LYS 46 N -4.93 0.69 -0.01 2.33 5.02 0.11 -4.67 118.16 116.70 2a57 n LYS 46 Ca 0.30 -0.11 0.01 0.00 -2.02 0.00 0.00 58.31 56.49 2a57 n LYS 46 Cb 0.95 -1.36 0.02 0.00 -0.02 0.00 0.00 35.03 34.62 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 -2.12 0.03 -3.23 2.13 8.25 -0.22 -4.81 115.22 115.25 2a57 n HIS 47 Ca -0.07 -0.14 -0.16 0.00 -0.26 0.00 0.00 57.72 57.09 2a57 n HIS 47 Cb 0.50 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.67 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 0.01 -3.46 -4.82 0.41 10.43 -0.54 -0.18 116.55 118.39 2a57 n ASP 48 Ca 0.02 -0.46 -0.38 0.00 2.57 0.00 0.00 54.79 56.53 2a57 n ASP 48 Cb 0.12 -4.12 -0.06 0.00 1.84 0.00 0.00 41.12 38.90 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 -3.27 4.89 -0.12 2.53 1.01 -1.08 -3.05 120.40 121.30 2a57 s VAL 49 Ca 0.19 1.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 2a57 s VAL 49 Cb -0.08 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2a57 s VAL 49 CO 0.58 0.57 0.85 -0.54 0.00 0.00 0.00 175.10 176.55 2a57 s LYS 50 N -1.09 4.38 0.40 2.72 1.02 -1.26 -4.40 119.74 121.50 2a57 s LYS 50 Ca 0.26 1.09 0.21 0.00 0.02 0.00 0.00 55.97 57.56 2a57 s LYS 50 Cb -0.18 -3.53 1.19 0.00 -0.52 0.00 0.00 37.83 34.79 2a57 s LYS 50 CO 0.16 -0.21 1.71 1.25 -0.92 0.00 0.00 175.35 177.35 2a57 h LEU 51 N 7.75 0.40 -1.59 3.17 6.46 -1.96 1.00 115.31 130.54 2a57 h LEU 51 Ca -0.33 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 2a57 h LEU 51 Cb 1.16 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 2a57 h LEU 51 CO 0.81 -0.02 0.00 -0.33 -0.62 0.00 0.00 178.44 178.28 2a57 h GLU 52 N 0.30 0.00 -0.69 1.25 3.07 -2.00 -2.86 114.58 113.65 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 -0.38 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.32 2a57 n ASN 53 N -3.06 4.03 -3.92 1.42 5.03 0.34 -4.76 115.26 114.34 2a57 n ASN 53 Ca 0.00 -2.55 -0.30 0.00 0.87 0.00 0.00 54.58 52.60 2a57 n ASN 53 Cb 0.28 -0.59 -0.15 0.00 -1.02 0.00 0.00 39.78 38.29 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 -2.09 1.55 0.07 2.41 1.01 -1.08 -1.07 121.20 122.00 2a57 s ILE 54 Ca 0.36 -1.46 -0.18 0.00 0.00 0.00 0.00 60.65 59.38 2a57 s ILE 54 Cb 0.27 -1.93 -0.07 0.00 0.01 0.00 0.00 42.46 40.74 2a57 s ILE 54 CO 0.12 -0.29 0.53 -1.81 0.00 0.00 0.00 174.94 173.49 2a57 s ASP 55 N 1.34 6.97 -0.31 3.58 -0.00 -0.25 -4.99 116.67 123.01 2a57 s ASP 55 Ca 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 52.55 53.73 2a57 s ASP 55 Cb -0.19 -2.33 0.10 0.00 -0.00 0.00 0.00 42.92 40.51 2a57 s ASP 55 CO -0.10 0.26 0.08 -0.63 -0.00 0.00 0.00 175.17 174.78 2a57 s ILE 56 N -1.16 1.21 0.41 0.77 1.01 -1.26 -0.98 121.20 121.20 2a57 s ILE 56 Ca 0.29 -1.60 0.08 0.00 0.00 0.00 0.00 60.65 59.42 2a57 s ILE 56 Cb -0.18 -1.90 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 2a57 s ILE 56 CO 0.18 -0.64 0.50 -1.61 0.00 0.00 0.00 174.94 173.37 2a57 s GLU 57 N 1.45 2.75 0.06 2.79 2.02 -0.25 -5.00 118.70 122.52 2a57 s GLU 57 Ca 0.10 -1.32 -0.11 0.00 0.02 0.00 0.00 54.97 53.66 2a57 s GLU 57 Cb -0.18 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.42 2a57 s GLU 57 CO -0.21 -0.22 0.24 -1.54 0.02 0.00 0.00 175.26 173.55 2a57 s SER 58 N -4.27 -0.00 0.23 -0.19 1.04 -1.26 -2.71 113.70 106.55 2a57 s SER 58 Ca 0.52 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.56 2a57 s SER 58 Cb -0.08 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 2a57 s SER 58 CO 0.31 -0.65 0.05 0.68 0.98 0.00 0.00 173.24 174.62 2a57 s VAL 59 N -3.06 0.70 0.00 5.02 -7.23 -0.60 -4.92 120.40 110.32 2a57 s VAL 59 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2a57 s VAL 59 Cb 0.01 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.50 2a57 s VAL 59 CO -0.07 -0.19 0.83 -2.65 -0.31 0.00 0.00 175.10 172.71 2a57 n PRO 60 N -0.41 0.00 -4.58 4.82 -0.02 -1.26 -2.12 135.00 131.43 2a57 n PRO 60 Ca -0.03 0.47 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 2a57 n PRO 60 Cb 0.65 -1.33 -0.09 0.00 -0.02 0.00 0.00 33.50 32.72 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 -0.65 2.64 0.46 -1.23 0.00 -1.26 -0.59 107.32 106.69 2a57 s GLY 61 Ca 0.00 -1.20 0.18 0.00 0.00 0.00 0.00 44.72 43.70 2a57 s GLY 61 CO 0.00 -1.96 1.96 1.76 0.00 0.00 0.00 173.10 174.87 2a57 h SER 62 N 1.71 0.26 -0.67 1.64 0.02 -1.93 -0.49 113.55 114.10 2a57 h SER 62 Ca -0.39 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.65 2a57 h SER 62 Cb 1.28 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 2a57 h SER 62 CO 0.66 0.15 0.45 -0.25 -1.14 0.00 0.00 176.83 176.69 2a57 h TRP 63 N 0.29 0.61 0.00 3.45 2.91 -1.96 -1.50 115.95 119.75 2a57 h TRP 63 Ca 0.30 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.34 2a57 h TRP 63 Cb 0.80 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.25 2a57 h TRP 63 CO -0.00 0.30 -0.03 0.39 -1.03 0.00 0.00 178.44 178.07 2a57 n GLU 64 N -4.48 0.09 -0.02 2.65 4.71 -0.19 -4.23 120.64 119.16 2a57 n GLU 64 Ca 0.11 0.07 -0.10 0.00 -0.01 0.00 0.00 57.16 57.22 2a57 n GLU 64 Cb 0.31 -1.60 -0.04 0.00 -1.01 0.00 0.00 31.44 29.11 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 -0.46 -4.62 3.38 -1.29 0.33 115.31 111.59 2a57 h LEU 65 Ca 0.00 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.17 2a57 h LEU 65 Cb 0.58 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2a57 h LEU 65 CO 0.00 -0.36 0.23 -0.65 0.09 0.00 0.00 178.44 177.75 2a57 h PRO 66 N -0.38 0.45 -0.67 1.13 0.11 -1.77 -1.07 132.00 129.79 2a57 h PRO 66 Ca 0.11 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 2a57 h PRO 66 Cb 0.56 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 2a57 h PRO 66 CO -0.39 0.29 0.17 1.96 -0.21 0.00 0.00 178.00 179.82 2a57 h GLN 67 N 0.46 1.06 -0.43 1.05 4.20 -1.69 -0.71 115.11 119.06 2a57 h GLN 67 Ca 0.20 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2a57 h GLN 67 Cb 0.11 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2a57 h GLN 67 CO -0.14 0.95 0.13 0.78 -0.67 0.00 0.00 178.83 179.88 2a57 h GLY 68 N 0.99 0.72 0.94 3.46 0.00 0.01 -2.17 103.07 107.01 2a57 h GLY 68 Ca 0.21 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2a57 h GLY 68 CO 0.00 0.40 0.14 -2.22 0.00 0.00 0.00 176.54 174.86 2a57 h ILE 69 N 0.55 1.21 -0.07 2.60 2.04 -1.04 -1.91 117.51 120.89 2a57 h ILE 69 Ca 0.14 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.37 2a57 h ILE 69 Cb 0.26 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2a57 h ILE 69 CO -0.00 0.23 -0.15 -0.09 0.00 0.00 0.00 178.15 178.14 2a57 h ARG 70 N 0.49 -0.20 0.15 2.37 2.43 -1.00 0.25 114.38 118.87 2a57 h ARG 70 Ca 0.13 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2a57 h ARG 70 Cb 0.23 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2a57 h ARG 70 CO -0.01 -0.14 -0.48 0.00 -1.51 0.00 0.00 179.97 177.84 2a57 h ALA 71 N 0.79 -0.90 -0.81 2.80 0.00 -1.25 -2.16 119.26 117.73 2a57 h ALA 71 Ca 0.07 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2a57 h ALA 71 Cb 0.31 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 2a57 h ALA 71 CO -0.19 -1.07 0.50 0.77 0.00 0.00 0.00 179.25 179.25 2a57 h SER 72 N -0.74 0.79 -0.26 0.00 0.02 -1.04 -1.01 113.55 111.32 2a57 h SER 72 Ca 0.00 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2a57 h SER 72 Cb 0.74 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2a57 h SER 72 CO -0.25 0.52 0.23 0.40 -1.14 0.00 0.00 176.83 176.59 2a57 h ILE 73 N 0.93 0.63 0.17 3.27 1.08 -0.05 -2.10 117.51 121.44 2a57 h ILE 73 Ca 0.34 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 64.55 2a57 h ILE 73 Cb 0.12 0.83 0.02 0.00 -3.07 0.00 0.00 36.82 34.72 2a57 h ILE 73 CO -0.15 0.00 -1.19 0.00 -0.69 0.00 0.00 178.15 176.12 2a57 h ALA 74 N 1.79 -0.05 0.89 1.87 0.00 -0.58 -3.39 119.26 119.80 2a57 h ALA 74 Ca 0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 2a57 h ALA 74 Cb 0.58 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2a57 h ALA 74 CO -0.00 0.59 -0.45 0.00 0.00 0.00 0.00 179.25 179.40 2a57 h ARG 75 N -0.17 -1.18 0.00 0.00 2.47 -0.93 -3.47 114.38 111.10 2a57 h ARG 75 Ca -0.22 0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 2a57 h ARG 75 Cb 1.85 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 30.44 2a57 h ARG 75 CO 0.17 -0.79 0.00 0.09 0.56 0.00 0.00 179.97 180.01 2a57 n ASN 76 N -5.34 1.44 -4.04 7.04 3.02 -0.94 -5.12 115.26 111.31 2a57 n ASN 76 Ca -0.15 -0.47 -0.27 0.00 -0.03 0.00 0.00 54.58 53.66 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 0.47 1.32 0.19 3.41 2.01 -1.26 -4.71 115.64 117.06 2a57 s THR 77 Ca 0.00 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.51 2a57 s THR 77 Cb 0.00 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 2a57 s THR 77 CO 0.00 0.40 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.89 2a57 s TYR 78 N 0.85 1.59 -0.15 4.92 2.02 -1.26 -4.91 117.35 120.41 2a57 s TYR 78 Ca -0.10 -0.62 0.21 0.00 -0.37 0.00 0.00 57.07 56.19 2a57 s TYR 78 Cb -0.15 -0.75 -0.15 0.00 -0.40 0.00 0.00 41.96 40.51 2a57 s TYR 78 CO 0.01 0.28 0.78 -0.25 -1.57 0.00 0.00 175.55 174.80 2a57 n ASP 79 N -0.30 0.52 -3.52 2.29 9.92 0.95 -4.97 116.55 121.44 2a57 n ASP 79 Ca -0.09 0.21 -0.13 0.00 -0.53 0.00 0.00 54.79 54.25 2a57 n ASP 79 Cb 0.60 0.98 -0.05 0.00 -0.64 0.00 0.00 41.12 42.01 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 -3.33 -1.81 0.02 2.24 0.00 -1.22 -4.20 121.76 113.46 2a57 s ALA 80 Ca -0.04 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.19 2a57 s ALA 80 Cb 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2a57 s ALA 80 CO 0.84 -0.45 -0.06 0.54 0.00 0.00 0.00 175.76 176.62 2a57 s VAL 81 N -1.82 0.42 -0.17 0.00 0.11 -0.61 -1.41 120.40 116.92 2a57 s VAL 81 Ca -0.04 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.29 2a57 s VAL 81 Cb -0.00 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2a57 s VAL 81 CO 0.01 -0.22 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.75 2a57 s ILE 82 N -0.91 2.25 -0.25 7.04 1.01 0.21 -0.38 121.20 130.16 2a57 s ILE 82 Ca -0.06 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 2a57 s ILE 82 Cb -0.07 -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 0.28 -0.83 0.00 0.00 0.00 174.94 174.92 2a57 s GLY 83 N 1.13 1.95 -0.07 6.18 0.00 -0.64 -1.73 107.32 114.14 2a57 s GLY 83 Ca 0.01 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.91 2a57 s GLY 83 CO -0.08 0.73 -0.20 -0.42 0.00 0.00 0.00 173.10 173.13 2a57 s ILE 84 N 1.63 1.68 -0.03 0.90 1.01 -0.22 0.41 121.20 126.58 2a57 s ILE 84 Ca 0.12 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 2a57 s ILE 84 Cb -0.15 -1.46 0.11 0.00 0.01 0.00 0.00 42.46 40.96 2a57 s ILE 84 CO 0.09 0.48 1.01 -0.83 0.00 0.00 0.00 174.94 175.68 2a57 s GLY 85 N 0.30 -0.39 -0.05 6.18 0.00 -0.55 -1.33 107.32 111.49 2a57 s GLY 85 Ca -0.13 1.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.62 2a57 s GLY 85 CO 0.06 0.33 0.01 -1.34 0.00 0.00 0.00 173.10 172.16 2a57 s VAL 86 N -2.91 0.21 -0.17 1.40 -7.23 -1.26 -0.86 120.40 109.58 2a57 s VAL 86 Ca 0.08 0.17 -0.06 0.00 -1.81 0.00 0.00 61.98 60.36 2a57 s VAL 86 Cb -0.01 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.54 2a57 s VAL 86 CO -0.06 0.20 0.01 -0.76 -0.31 0.00 0.00 175.10 174.18 2a57 s LEU 87 N 1.64 3.54 -0.10 1.32 1.43 0.13 -4.80 118.68 121.84 2a57 s LEU 87 Ca -0.01 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2a57 s LEU 87 Cb -0.13 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2a57 s LEU 87 CO -0.03 0.17 -0.16 -0.63 0.23 0.00 0.00 176.35 175.93 2a57 s ILE 88 N 0.36 2.78 0.20 -0.59 1.01 -1.26 -1.16 121.20 122.54 2a57 s ILE 88 Ca -0.01 -0.77 -0.33 0.00 0.00 0.00 0.00 60.65 59.54 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 1.63 1.17 0.00 0.00 0.00 174.94 178.31 2a57 n LYS 89 N 3.25 2.47 0.00 2.79 0.00 -0.43 -4.87 118.16 121.37 2a57 n LYS 89 Ca -0.18 0.89 0.00 0.00 0.00 0.00 0.00 58.31 59.02 2a57 n LYS 89 Cb 0.53 -2.69 0.00 0.00 0.00 0.00 0.00 35.03 32.87 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 3.49 4.29 0.18 3.14 0.00 -1.26 -4.84 105.19 110.18 2a57 n GLY 90 Ca 0.16 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 -5.30 1.61 0.02 -2.02 -3.47 113.55 104.39 2a57 h SER 91 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 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 0.05 -0.13 0.35 -1.14 0.00 0.00 176.83 175.96 2a57 n THR 92 N -2.96 0.00 1.69 -2.27 -2.24 -1.26 -5.02 114.28 102.23 2a57 n THR 92 Ca 0.02 -1.37 0.14 0.00 -2.27 0.00 0.00 64.05 60.58 2a57 n THR 92 Cb 0.56 -0.38 0.68 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.54 1.39 -0.22 -0.78 0.00 -1.26 -4.27 117.12 110.45 2a57 n MET 93 Ca 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 57.70 57.19 2a57 n MET 93 Cb 0.40 -1.47 0.12 0.00 0.00 0.00 0.00 33.22 32.27 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 1.35 0.01 -0.28 2.03 -0.00 -1.97 -2.00 115.15 114.30 2a57 h HIS 94 Ca 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 60.37 60.48 2a57 h HIS 94 Cb 0.29 0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.73 2a57 h HIS 94 CO 0.01 -0.16 -0.13 0.35 -0.00 0.00 0.00 177.93 178.00 2a57 h PHE 95 N 0.14 -0.31 -0.13 5.26 3.57 -1.90 -0.91 116.94 122.66 2a57 h PHE 95 Ca 0.34 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.90 2a57 h PHE 95 Cb 0.57 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2a57 h PHE 95 CO -0.35 -0.20 -0.04 0.93 -2.23 0.00 0.00 178.31 176.42 2a57 h GLU 96 N -0.09 -0.01 -0.38 1.11 3.07 -1.68 -1.93 114.58 114.68 2a57 h GLU 96 Ca 0.14 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 2a57 h GLU 96 Cb 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2a57 h GLU 96 CO -0.34 -0.00 -0.10 1.88 -1.40 0.00 0.00 179.01 179.05 2a57 h TYR 97 N -0.01 0.82 -0.13 4.33 0.05 -1.15 -2.05 116.97 118.84 2a57 h TYR 97 Ca 0.06 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 2a57 h TYR 97 Cb 0.10 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 2a57 h TYR 97 CO -0.17 0.88 0.07 0.82 -1.05 0.00 0.00 178.16 178.71 2a57 h ILE 98 N 0.53 1.08 -0.23 -2.88 1.08 -1.18 -1.98 117.51 113.94 2a57 h ILE 98 Ca 0.09 -0.22 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 2a57 h ILE 98 Cb 0.62 0.99 -0.07 0.00 -3.07 0.00 0.00 36.82 35.29 2a57 h ILE 98 CO 0.04 0.07 -0.27 0.28 -0.69 0.00 0.00 178.15 177.59 2a57 h SER 99 N 0.13 -0.85 -0.07 1.72 0.02 -1.27 0.31 113.55 113.54 2a57 h SER 99 Ca 0.05 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2a57 h SER 99 Cb 0.05 0.39 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2a57 h SER 99 CO -0.01 -0.30 0.05 -0.08 -1.14 0.00 0.00 176.83 175.35 2a57 h GLU 100 N -0.28 0.10 -0.59 3.45 4.81 -1.33 -1.85 114.58 118.89 2a57 h GLU 100 Ca 0.13 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2a57 h GLU 100 Cb 0.49 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2a57 h GLU 100 CO -0.39 0.07 0.29 0.00 -0.73 0.00 0.00 179.01 178.25 2a57 h ALA 101 N 1.02 0.75 -0.37 2.92 0.00 -0.82 -1.60 119.26 121.16 2a57 h ALA 101 Ca 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2a57 h ALA 101 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2a57 h ALA 101 CO -0.01 0.30 0.07 0.28 0.00 0.00 0.00 179.25 179.90 2a57 h VAL 102 N 0.80 1.24 -0.62 0.00 2.07 -0.32 -0.07 116.25 119.34 2a57 h VAL 102 Ca 0.20 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2a57 h VAL 102 Cb 0.10 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2a57 h VAL 102 CO -0.03 0.28 0.25 0.58 0.02 0.00 0.00 177.57 178.67 2a57 h VAL 103 N 0.45 1.23 -0.70 2.57 2.07 -1.23 -0.23 116.25 120.41 2a57 h VAL 103 Ca 0.11 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 2a57 h VAL 103 Cb 0.35 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2a57 h VAL 103 CO 0.01 0.28 0.17 0.45 0.02 0.00 0.00 177.57 178.50 2a57 h HIS 104 N 0.86 1.18 -0.10 1.57 3.86 -1.18 -2.71 115.15 118.63 2a57 h HIS 104 Ca 0.21 -0.14 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2a57 h HIS 104 Cb 0.20 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 2a57 h HIS 104 CO 0.01 0.96 -0.04 0.78 0.86 0.00 0.00 177.93 180.50 2a57 h GLY 105 N 1.06 0.06 1.01 2.45 0.00 -0.27 -0.69 103.07 106.70 2a57 h GLY 105 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2a57 h GLY 105 CO 0.00 -0.05 0.55 1.41 0.00 0.00 0.00 176.54 178.46 2a57 h LEU 106 N -0.02 1.01 -0.74 3.11 3.38 -1.03 -0.88 115.31 120.14 2a57 h LEU 106 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2a57 h LEU 106 Cb 0.10 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2a57 h LEU 106 CO -0.12 0.75 0.43 -0.03 0.09 0.00 0.00 178.44 179.57 2a57 h MET 107 N 1.18 1.02 0.02 1.13 4.05 -1.14 -2.20 114.93 118.99 2a57 h MET 107 Ca 0.31 -0.11 -0.00 0.00 -0.28 0.00 0.00 59.70 59.63 2a57 h MET 107 Cb -0.10 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.49 2a57 h MET 107 CO -0.06 0.74 -0.01 -0.09 0.23 0.00 0.00 176.91 177.72 2a57 h ARG 108 N 1.02 -0.02 -0.76 0.39 2.43 -0.31 -1.59 114.38 115.54 2a57 h ARG 108 Ca 0.26 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.53 2a57 h ARG 108 Cb -0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2a57 h ARG 108 CO -0.05 0.16 0.50 0.28 -1.51 0.00 0.00 179.97 179.35 2a57 h VAL 109 N -0.19 0.95 -0.05 0.20 2.07 -1.05 0.17 116.25 118.35 2a57 h VAL 109 Ca -0.00 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2a57 h VAL 109 Cb 0.19 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2a57 h VAL 109 CO 0.00 0.13 -0.08 1.23 0.02 0.00 0.00 177.57 178.87 2a57 h GLY 110 N 0.69 0.16 1.88 2.17 0.00 -1.20 -2.12 103.07 104.65 2a57 h GLY 110 Ca 0.34 -0.18 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 2a57 h GLY 110 CO -0.12 0.16 -0.38 1.41 0.00 0.00 0.00 176.54 177.61 2a57 h LEU 111 N -0.34 0.14 -0.04 3.11 3.38 -0.76 0.11 115.31 120.90 2a57 h LEU 111 Ca 0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2a57 h LEU 111 Cb 0.64 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2a57 h LEU 111 CO 0.02 0.51 -0.21 0.44 0.09 0.00 0.00 178.44 179.29 2a57 h ASP 112 N 0.12 0.25 0.83 -0.43 3.32 -0.72 -3.33 116.42 116.45 2a57 h ASP 112 Ca 0.01 -0.67 -0.15 0.00 0.02 0.00 0.00 57.03 56.25 2a57 h ASP 112 Cb 0.73 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2a57 h ASP 112 CO 0.05 0.88 -0.71 0.77 -1.72 0.00 0.00 179.24 178.51 2a57 h SER 113 N -0.36 0.00 0.00 6.45 4.64 -1.31 -3.47 113.55 119.50 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 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2a57 h SER 113 CO 0.04 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 2a57 n GLY 114 N 0.68 0.90 3.69 -0.77 0.00 0.02 -5.02 105.19 104.70 2a57 n GLY 114 Ca -0.00 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 -3.35 5.26 0.20 1.61 1.01 -1.21 -5.03 120.40 118.88 2a57 s VAL 115 Ca 0.00 0.60 -0.33 0.00 0.00 0.00 0.00 61.98 62.25 2a57 s VAL 115 Cb 0.00 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 2a57 s VAL 115 CO 0.00 0.32 1.61 -2.65 0.00 0.00 0.00 175.10 174.38 2a57 n PRO 116 N 4.05 2.39 -4.09 2.72 -0.02 -1.26 -4.51 135.00 134.28 2a57 n PRO 116 Ca -0.10 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 61.91 2a57 n PRO 116 Cb 0.51 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 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 0.79 2.06 -0.02 -1.45 1.01 -1.26 -1.57 120.40 119.96 2a57 s VAL 117 Ca 0.75 -1.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 2a57 s VAL 117 Cb -0.60 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2a57 s VAL 117 CO 0.38 0.32 0.61 -0.63 0.00 0.00 0.00 175.10 175.78 2a57 s ILE 118 N 1.24 4.93 -0.53 2.22 1.09 0.48 -4.98 121.20 125.65 2a57 s ILE 118 Ca -0.00 1.28 -0.24 0.00 -1.10 0.00 0.00 60.65 60.59 2a57 s ILE 118 Cb -0.16 -3.95 0.04 0.00 -1.06 0.00 0.00 42.46 37.33 2a57 s ILE 118 CO -0.10 0.39 0.93 -0.22 -0.10 0.00 0.00 174.94 175.84 2a57 s LEU 119 N -0.00 4.10 -0.45 2.97 2.96 -1.26 -1.62 118.68 125.38 2a57 s LEU 119 Ca 0.32 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 2a57 s LEU 119 Cb -0.18 -2.90 0.44 0.00 0.50 0.00 0.00 46.19 44.04 2a57 s LEU 119 CO 0.17 -1.17 1.39 0.61 -1.32 0.00 0.00 176.35 176.03 2a57 n GLY 120 N 5.08 6.12 3.62 7.98 0.00 0.17 -4.96 105.19 123.18 2a57 n GLY 120 Ca 0.03 -2.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.07 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 3.91 -0.18 0.99 0.20 -1.24 -1.48 118.68 117.21 2a57 s LEU 121 Ca 0.52 0.05 -0.05 0.00 0.69 0.00 0.00 54.13 55.35 2a57 s LEU 121 Cb 0.43 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 2a57 s LEU 121 CO -0.08 0.09 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.29 2a57 s LEU 122 N 0.92 3.28 -0.51 -0.68 1.43 -0.04 -4.96 118.68 118.12 2a57 s LEU 122 Ca 0.06 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2a57 s LEU 122 Cb -0.13 -1.82 0.13 0.00 0.03 0.00 0.00 46.19 44.40 2a57 s LEU 122 CO 0.03 0.11 0.25 0.42 0.23 0.00 0.00 176.35 177.39 2a57 s THR 123 N 0.73 2.60 0.36 5.49 -4.23 -1.26 0.22 115.64 119.54 2a57 s THR 123 Ca -0.01 -3.25 0.08 0.00 -1.18 0.00 0.00 61.69 57.33 2a57 s THR 123 Cb -0.14 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 2a57 s THR 123 CO 0.02 -0.79 0.15 0.68 -0.54 0.00 0.00 174.62 174.15 2a57 s VAL 124 N -0.21 2.80 -0.10 2.29 -7.23 -0.31 -5.00 120.40 112.64 2a57 s VAL 124 Ca 0.17 -1.70 0.14 0.00 -1.81 0.00 0.00 61.98 58.78 2a57 s VAL 124 Cb -0.25 -2.97 -0.07 0.00 0.56 0.00 0.00 36.38 33.65 2a57 s VAL 124 CO -0.01 -0.13 1.13 -0.07 -0.31 0.00 0.00 175.10 175.71 2a57 h LEU 125 N 1.51 0.00 -7.18 1.32 -0.00 -1.93 -1.14 115.31 107.90 2a57 h LEU 125 Ca -0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.41 2a57 h LEU 125 Cb 1.25 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.79 2a57 h LEU 125 CO 0.65 0.63 0.08 0.54 -0.00 0.00 0.00 178.44 180.34 2a57 s ASN 126 N -6.21 -0.42 0.32 -0.43 2.20 -1.26 -4.14 114.94 105.00 2a57 s ASN 126 Ca 0.00 -0.14 0.08 0.00 -0.94 0.00 0.00 52.86 51.87 2a57 s ASN 126 Cb 0.08 0.54 0.81 0.00 -2.00 0.00 0.00 41.25 40.68 2a57 s ASN 126 CO 0.79 -0.91 1.78 -0.08 -2.94 0.00 0.00 177.10 175.73 2a57 h GLU 127 N 2.17 0.67 -0.21 3.55 4.57 -1.97 -1.82 114.58 121.54 2a57 h GLU 127 Ca -0.34 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 57.84 2a57 h GLU 127 Cb 1.28 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 2a57 h GLU 127 CO 0.42 0.44 -0.06 0.93 -1.18 0.00 0.00 179.01 179.57 2a57 h GLU 128 N 0.69 -0.00 -0.67 1.92 3.07 -1.99 -0.62 114.58 116.98 2a57 h GLU 128 Ca 0.58 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.56 2a57 h GLU 128 Cb 1.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.87 2a57 h GLU 128 CO -0.37 -0.00 0.45 1.96 -1.40 0.00 0.00 179.01 179.64 2a57 h GLN 129 N -0.00 0.43 0.26 2.33 4.20 -1.75 -0.13 115.11 120.45 2a57 h GLN 129 Ca 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2a57 h GLN 129 Cb 0.16 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2a57 h GLN 129 CO -0.22 0.28 -0.13 0.00 -0.67 0.00 0.00 178.83 178.09 2a57 h ALA 130 N 1.67 -0.35 -0.91 3.87 0.00 -1.10 -2.79 119.26 119.66 2a57 h ALA 130 Ca 0.32 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2a57 h ALA 130 Cb 0.64 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2a57 h ALA 130 CO -0.10 -0.47 0.55 -0.07 0.00 0.00 0.00 179.25 179.16 2a57 h LEU 131 N -0.80 0.80 -0.79 0.00 3.38 -0.67 -0.79 115.31 116.45 2a57 h LEU 131 Ca -0.04 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2a57 h LEU 131 Cb 0.51 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2a57 h LEU 131 CO 0.06 0.45 0.49 0.22 0.09 0.00 0.00 178.44 179.75 2a57 h TYR 132 N 0.91 0.91 0.00 1.13 3.20 -1.04 0.06 116.97 122.14 2a57 h TYR 132 Ca 0.44 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.33 2a57 h TYR 132 Cb 0.38 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2a57 h TYR 132 CO -0.03 0.48 0.00 0.54 -1.64 0.00 0.00 178.16 177.50 2a57 n ARG 133 N -4.65 0.37 -0.36 1.82 1.74 -0.39 -2.36 116.66 112.84 2a57 n ARG 133 Ca 0.10 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.30 2a57 n ARG 133 Cb 0.15 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.31 2.46 -0.11 7.54 0.00 -0.06 -1.38 120.51 127.65 2a57 n ALA 134 Ca 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2a57 n ALA 134 Cb 0.25 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.15 3.92 0.00 0.00 -0.99 -4.56 105.19 106.21 2a57 n GLY 135 Ca 0.22 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 2.65 -1.74 0.99 1.02 -0.80 -4.03 118.68 116.76 2a57 s LEU 136 Ca 0.00 0.60 -0.20 0.00 0.02 0.00 0.00 54.13 54.55 2a57 s LEU 136 Cb 0.00 -3.13 0.19 0.00 0.02 0.00 0.00 46.19 43.27 2a57 s LEU 136 CO 0.00 -1.83 0.70 0.59 0.02 0.00 0.00 176.35 175.83 2a57 n ASN 137 N -3.18 -2.75 0.00 2.29 5.03 -1.26 -1.16 115.26 114.23 2a57 n ASN 137 Ca 0.09 -1.06 0.00 0.00 0.87 0.00 0.00 54.58 54.47 2a57 n ASN 137 Cb 0.61 -2.29 0.00 0.00 -1.02 0.00 0.00 39.78 37.07 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 -1.24 0.85 3.96 7.41 0.00 -1.26 -4.98 105.19 109.92 2a57 n GLY 138 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.56 1.75 -0.17 -0.02 0.00 -0.31 -5.08 107.32 101.94 2a57 s GLY 139 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 44.72 43.35 2a57 s GLY 139 CO 0.00 -0.81 0.35 -1.58 0.00 0.00 0.00 173.10 171.06 2a57 s HIS 140 N -3.10 3.44 -0.25 1.90 5.65 -1.23 -4.21 115.29 117.48 2a57 s HIS 140 Ca 0.61 0.64 -0.29 0.00 0.25 0.00 0.00 55.06 56.27 2a57 s HIS 140 Cb -0.09 -2.43 -0.01 0.00 -1.18 0.00 0.00 32.58 28.86 2a57 s HIS 140 CO 0.43 0.15 1.43 1.21 -0.65 0.00 0.00 174.74 177.30 2a57 s ASN 141 N 0.68 6.58 0.51 9.88 3.84 -1.26 -3.62 114.94 131.54 2a57 s ASN 141 Ca 0.19 1.42 0.31 0.00 0.21 0.00 0.00 52.86 54.99 2a57 s ASN 141 Cb -0.14 -2.54 1.10 0.00 -0.55 0.00 0.00 41.25 39.12 2a57 s ASN 141 CO 0.06 -1.12 1.88 0.45 -2.79 0.00 0.00 177.10 175.58 2a57 h HIS 142 N 9.77 0.00 -0.04 0.43 3.86 -1.54 -2.99 115.15 124.63 2a57 h HIS 142 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 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 0.89 0.00 0.03 0.78 0.86 0.00 0.00 177.93 180.49 2a57 h GLY 143 N 2.57 0.06 0.89 2.45 0.00 -1.81 -1.53 103.07 105.70 2a57 h GLY 143 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2a57 h GLY 143 CO 0.00 0.02 -0.06 3.43 0.00 0.00 0.00 176.54 179.93 2a57 h ASN 144 N 0.06 -0.14 -0.83 0.19 -0.26 -1.67 -0.71 115.58 112.22 2a57 h ASN 144 Ca 0.02 -0.09 0.09 0.00 -0.56 0.00 0.00 56.30 55.76 2a57 h ASN 144 Cb -0.00 0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 37.22 2a57 h ASN 144 CO -0.00 -0.00 0.48 0.44 -1.06 0.00 0.00 177.43 177.28 2a57 h ASP 145 N -0.28 0.69 -0.81 5.81 3.32 -1.47 -1.31 116.42 122.37 2a57 h ASP 145 Ca -0.02 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 2a57 h ASP 145 Cb 0.22 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 2a57 h ASP 145 CO 0.03 0.40 0.36 -0.50 -1.72 0.00 0.00 179.24 177.81 2a57 h TRP 146 N 0.81 1.19 0.27 4.55 6.55 -1.01 -1.37 115.95 126.95 2a57 h TRP 146 Ca 0.40 -0.07 -0.01 0.00 0.95 0.00 0.00 58.89 60.16 2a57 h TRP 146 Cb 0.35 -0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 28.28 2a57 h TRP 146 CO -0.06 0.88 -0.18 0.78 -1.05 0.00 0.00 178.44 178.81 2a57 h GLY 147 N 1.18 -0.46 1.17 1.49 0.00 -0.00 0.85 103.07 107.31 2a57 h GLY 147 Ca 0.28 0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.83 2a57 h GLY 147 CO -0.03 -0.18 0.51 1.76 0.00 0.00 0.00 176.54 178.60 2a57 h SER 148 N -0.45 0.85 -0.54 0.19 0.02 -1.24 -1.91 113.55 110.48 2a57 h SER 148 Ca -0.02 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2a57 h SER 148 Cb 0.38 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2a57 h SER 148 CO 0.02 0.60 0.13 0.00 -1.14 0.00 0.00 176.83 176.44 2a57 h ALA 149 N 1.53 0.71 -0.17 3.77 0.00 -0.75 -0.57 119.26 123.78 2a57 h ALA 149 Ca 0.30 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2a57 h ALA 149 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2a57 h ALA 149 CO -0.08 0.41 0.03 0.00 0.00 0.00 0.00 179.25 179.61 2a57 h ALA 150 N 1.01 0.17 -0.10 0.00 0.00 -0.18 -0.39 119.26 119.77 2a57 h ALA 150 Ca 0.17 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2a57 h ALA 150 Cb 0.35 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2a57 h ALA 150 CO 0.00 -0.41 0.03 0.28 0.00 0.00 0.00 179.25 179.15 2a57 h VAL 151 N 0.10 0.97 -0.23 0.00 2.07 -1.06 -0.18 116.25 117.91 2a57 h VAL 151 Ca 0.08 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2a57 h VAL 151 Cb 0.08 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2a57 h VAL 151 CO -0.11 0.01 0.15 -0.08 0.02 0.00 0.00 177.57 177.57 2a57 h GLU 152 N 0.08 0.31 -0.35 1.57 4.81 -0.79 -2.15 114.58 118.05 2a57 h GLU 152 Ca 0.04 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2a57 h GLU 152 Cb 0.03 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2a57 h GLU 152 CO -0.05 0.20 -0.06 0.52 -0.73 0.00 0.00 179.01 178.90 2a57 h MET 153 N 0.31 0.57 -0.12 1.92 2.86 -0.92 -2.08 114.93 117.48 2a57 h MET 153 Ca 0.09 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2a57 h MET 153 Cb -0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2a57 h MET 153 CO -0.02 0.64 0.06 0.78 1.06 0.00 0.00 176.91 179.43 2a57 h GLY 154 N 0.91 0.18 0.88 8.32 0.00 -0.61 -1.65 103.07 111.10 2a57 h GLY 154 Ca 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2a57 h GLY 154 CO 0.02 0.08 -0.17 1.41 0.00 0.00 0.00 176.54 177.88 2a57 h LEU 155 N 0.09 -0.40 -2.31 3.11 3.38 -1.24 -2.46 115.31 115.48 2a57 h LEU 155 Ca 0.04 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2a57 h LEU 155 Cb 0.08 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2a57 h LEU 155 CO -0.01 -0.19 0.22 0.11 0.09 0.00 0.00 178.44 178.66 2a57 h LYS 156 N -0.59 0.00 -0.45 1.13 1.57 -1.36 0.99 116.57 117.86 2a57 h LYS 156 Ca -0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 2a57 h LYS 156 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2a57 h LYS 156 CO 0.08 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 178.76 2a57 h ALA 157 N 1.66 0.81 0.00 3.86 0.00 -0.81 -3.51 119.26 121.28 2a57 h ALA 157 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2a57 h ALA 157 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2a57 h ALA 157 CO -0.00 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.18