#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pun s LYS 2 N 0.00 3.72 0.03 0.03 3.01 -1.22 -5.08 119.74 120.23 1pun s LYS 2 Ca 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 55.97 54.51 1pun s LYS 2 Cb 0.00 -3.29 -0.03 0.00 -1.01 0.00 0.00 37.83 33.51 1pun s LYS 2 CO 0.00 -0.08 -0.04 0.15 0.51 0.00 0.00 175.35 175.89 1pun s LYS 3 N 1.32 0.41 -0.12 1.68 1.02 -1.26 -0.61 119.74 122.18 1pun s LYS 3 Ca 0.05 -0.77 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1pun s LYS 3 Cb -0.15 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.29 1pun s LYS 3 CO 0.03 -0.05 0.25 -0.48 -0.92 0.00 0.00 175.35 174.19 1pun s LEU 4 N -1.80 -0.03 0.09 3.17 0.05 0.73 -4.89 118.68 115.99 1pun s LEU 4 Ca -0.10 0.55 0.02 0.00 0.05 0.00 0.00 54.13 54.65 1pun s LEU 4 Cb -0.06 0.69 -0.04 0.00 -2.05 0.00 0.00 46.19 44.73 1pun s LEU 4 CO -0.03 -0.21 0.16 -1.10 -0.55 0.00 0.00 176.35 174.62 1pun s GLN 5 N 2.00 3.15 -0.10 1.48 -0.21 -1.26 -0.69 119.66 124.03 1pun s GLN 5 Ca -0.02 -0.62 -0.09 0.00 0.02 0.00 0.00 55.36 54.65 1pun s GLN 5 Cb -0.11 -2.86 0.03 0.00 1.00 0.00 0.00 33.01 31.07 1pun s GLN 5 CO -0.08 0.56 0.26 0.42 -2.12 0.00 0.00 175.29 174.33 1pun s ILE 6 N -1.53 -0.00 0.04 1.08 -1.09 0.21 -3.86 121.20 116.05 1pun s ILE 6 Ca 0.32 0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.81 1pun s ILE 6 Cb -0.12 -0.36 -0.02 0.00 -1.58 0.00 0.00 42.46 40.37 1pun s ILE 6 CO 0.25 0.00 -0.18 0.00 -1.23 0.00 0.00 174.94 173.79 1pun s ALA 7 N 0.18 1.50 0.07 9.38 0.00 -1.25 -0.16 121.76 131.47 1pun s ALA 7 Ca -0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 1pun s ALA 7 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1pun s ALA 7 CO -0.00 0.32 0.11 0.14 0.00 0.00 0.00 175.76 176.33 1pun s VAL 8 N -0.78 0.16 -0.06 0.00 -7.23 0.52 -3.70 120.40 109.31 1pun s VAL 8 Ca 0.05 -1.35 -0.17 0.00 -1.81 0.00 0.00 61.98 58.69 1pun s VAL 8 Cb -0.08 -1.33 0.04 0.00 0.56 0.00 0.00 36.38 35.56 1pun s VAL 8 CO 0.01 -0.75 0.40 -0.83 -0.31 0.00 0.00 175.10 173.63 1pun s GLY 9 N -2.77 -0.27 -0.27 2.32 0.00 -0.97 0.10 107.32 105.47 1pun s GLY 9 Ca 0.04 0.71 -0.13 0.00 0.00 0.00 0.00 44.72 45.34 1pun s GLY 9 CO -0.10 0.49 0.28 -0.42 0.00 0.00 0.00 173.10 173.35 1pun s ILE 10 N -0.91 5.25 -0.44 0.90 1.09 -1.19 -3.61 121.20 122.29 1pun s ILE 10 Ca -0.10 0.37 -0.27 0.00 -1.10 0.00 0.00 60.65 59.55 1pun s ILE 10 Cb -0.04 -3.61 0.02 0.00 -1.06 0.00 0.00 42.46 37.78 1pun s ILE 10 CO 0.04 0.22 1.02 -0.63 -0.10 0.00 0.00 174.94 175.49 1pun s ILE 11 N 1.81 4.40 0.50 2.92 1.01 -1.26 -2.59 121.20 127.98 1pun s ILE 11 Ca 0.11 1.10 -0.17 0.00 0.00 0.00 0.00 60.65 61.69 1pun s ILE 11 Cb -0.16 -4.48 -0.08 0.00 0.01 0.00 0.00 42.46 37.75 1pun s ILE 11 CO 0.10 -0.81 0.98 -0.13 0.00 0.00 0.00 174.94 175.08 1pun s ARG 12 N 3.95 4.00 0.07 2.79 1.81 -1.24 -2.67 118.95 127.65 1pun s ARG 12 Ca 0.42 0.98 0.01 0.00 -1.72 0.00 0.00 55.73 55.42 1pun s ARG 12 Cb -0.10 -2.14 -0.00 0.00 -0.45 0.00 0.00 34.95 32.26 1pun s ARG 12 CO 0.26 -0.23 0.02 0.27 -0.68 0.00 0.00 175.30 174.94 1pun n ASN 13 N -1.42 1.03 -0.23 0.23 0.23 -1.25 -3.20 115.26 110.65 1pun n ASN 13 Ca 0.07 -1.38 -0.00 0.00 -0.53 0.00 0.00 54.58 52.74 1pun n ASN 13 Cb 0.54 0.17 0.07 0.00 -2.08 0.00 0.00 39.78 38.48 1pun n ASN 13 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1pun h GLU 14 N 0.00 -0.01 0.00 -3.83 4.81 -1.89 -3.33 114.58 110.33 1pun h GLU 14 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1pun h GLU 14 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1pun h GLU 14 CO 0.09 -0.01 0.00 -1.71 -0.73 0.00 0.00 179.01 176.65 1pun n ASN 15 N -5.46 0.00 0.00 1.04 5.15 -1.26 -5.02 115.26 109.71 1pun n ASN 15 Ca 0.08 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 1pun n ASN 15 Cb 0.35 -0.34 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1pun n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1pun n ASN 16 N -1.68 0.00 -4.48 1.20 5.03 -1.25 -5.14 115.26 108.93 1pun n ASN 16 Ca 0.00 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.11 1pun n ASN 16 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.64 1pun n ASN 16 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1pun s GLU 17 N 0.00 3.65 -0.19 3.52 2.02 -1.26 -4.37 118.70 122.07 1pun s GLU 17 Ca 0.00 -0.52 -0.08 0.00 0.02 0.00 0.00 54.97 54.39 1pun s GLU 17 Cb 0.00 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 1pun s GLU 17 CO 0.00 0.17 0.07 0.96 0.02 0.00 0.00 175.26 176.48 1pun s ILE 18 N 0.56 4.80 -0.48 -1.63 -5.25 0.17 -3.84 121.20 115.54 1pun s ILE 18 Ca -0.02 -0.03 -0.26 0.00 -0.99 0.00 0.00 60.65 59.35 1pun s ILE 18 Cb -0.14 -3.17 -0.07 0.00 2.95 0.00 0.00 42.46 42.03 1pun s ILE 18 CO 0.02 0.45 2.38 0.12 -1.79 0.00 0.00 174.94 176.12 1pun s PHE 19 N 0.46 1.10 -0.16 1.37 5.36 -1.09 -2.42 117.98 122.60 1pun s PHE 19 Ca 0.03 1.48 -0.06 0.00 -0.96 0.00 0.00 56.93 57.42 1pun s PHE 19 Cb -0.13 -3.62 -0.04 0.00 -0.34 0.00 0.00 43.02 38.90 1pun s PHE 19 CO 0.01 -2.63 0.03 0.42 -1.46 0.00 0.00 175.22 171.58 1pun s ILE 20 N 11.85 4.51 -0.03 3.12 1.01 -1.20 -4.48 121.20 135.98 1pun s ILE 20 Ca 0.97 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.18 1pun s ILE 20 Cb -0.18 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.24 1pun s ILE 20 CO 0.26 0.49 1.42 0.28 0.00 0.00 0.00 174.94 177.40 1pun s THR 21 N 0.17 3.77 -0.03 2.92 -1.32 0.12 -4.02 115.64 117.25 1pun s THR 21 Ca 0.02 1.10 -0.12 0.00 -1.21 0.00 0.00 61.69 61.48 1pun s THR 21 Cb -0.13 -3.71 0.02 0.00 -1.51 0.00 0.00 72.50 67.18 1pun s THR 21 CO 0.01 -0.03 0.27 -0.60 -2.21 0.00 0.00 174.62 172.06 1pun s ARG 22 N 2.79 0.55 -0.18 7.08 3.52 -1.25 -0.23 118.95 131.22 1pun s ARG 22 Ca 0.64 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.14 1pun s ARG 22 Cb -0.30 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.33 1pun s ARG 22 CO 0.25 -0.14 0.00 0.54 -0.81 0.00 0.00 175.30 175.15 1pun n ARG 23 N 1.70 -2.63 -2.34 5.12 1.74 -1.17 -0.46 116.66 118.62 1pun n ARG 23 Ca -0.20 0.10 -0.07 0.00 -0.77 0.00 0.00 57.85 56.92 1pun n ARG 23 Cb 0.56 -4.56 -0.01 0.00 -1.02 0.00 0.00 32.46 27.44 1pun n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pun n ALA 24 N -2.23 -0.80 -2.37 7.54 0.00 -1.16 0.98 120.51 122.48 1pun n ALA 24 Ca -0.02 0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1pun n ALA 24 Cb 0.46 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 1pun n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pun n ALA 25 N -2.13 -0.62 0.04 0.00 0.00 0.40 -4.62 120.51 113.57 1pun n ALA 25 Ca -0.08 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1pun n ALA 25 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1pun n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1pun n ASP 26 N -1.97 -0.60 0.00 0.00 9.92 0.28 -5.07 116.55 119.10 1pun n ASP 26 Ca -0.24 0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1pun n ASP 26 Cb 0.68 0.92 0.00 0.00 -0.64 0.00 0.00 41.12 42.08 1pun n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pun n ALA 27 N -2.66 0.00 -1.63 2.24 0.00 0.11 -5.03 120.51 113.55 1pun n ALA 27 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.92 1pun n ALA 27 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1pun n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pun n HIS 28 N -0.64 1.76 -3.21 0.00 8.25 -1.24 -2.44 115.22 117.70 1pun n HIS 28 Ca 0.00 0.54 -0.11 0.00 -0.26 0.00 0.00 57.72 57.89 1pun n HIS 28 Cb 0.00 -2.40 0.04 0.00 1.12 0.00 0.00 29.99 28.75 1pun n HIS 28 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1pun n MET 29 N 3.45 -1.88 0.31 -0.41 2.81 -1.26 -2.97 117.12 117.17 1pun n MET 29 Ca 0.20 1.06 0.20 0.00 -1.81 0.00 0.00 57.70 57.36 1pun n MET 29 Cb 0.19 -5.70 0.99 0.00 -0.71 0.00 0.00 33.22 28.00 1pun n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pun h ALA 30 N 0.16 1.00 -0.77 3.04 0.00 -1.81 -2.12 119.26 118.75 1pun h ALA 30 Ca -0.41 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.09 1pun h ALA 30 Cb 1.21 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.76 1pun h ALA 30 CO 0.39 0.00 0.53 -1.71 0.00 0.00 0.00 179.25 178.47 1pun n ASN 31 N -3.06 4.04 -0.89 0.00 5.15 -1.26 -4.25 115.26 114.99 1pun n ASN 31 Ca -0.01 -3.28 0.02 0.00 -0.60 0.00 0.00 54.58 50.71 1pun n ASN 31 Cb 0.17 -0.80 0.21 0.00 -0.53 0.00 0.00 39.78 38.83 1pun n ASN 31 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1pun n LYS 32 N -0.73 2.00 -0.70 1.20 0.00 -0.81 -3.53 118.16 115.60 1pun n LYS 32 Ca 0.47 -3.04 -0.26 0.00 0.00 0.00 0.00 58.31 55.47 1pun n LYS 32 Cb 1.31 -1.76 -0.04 0.00 0.00 0.00 0.00 35.03 34.55 1pun n LYS 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1pun n LEU 33 N -1.02 3.43 0.00 3.14 7.94 -1.19 -3.94 117.00 125.36 1pun n LEU 33 Ca 0.27 -2.42 -0.13 0.00 -1.11 0.00 0.00 56.01 52.61 1pun n LEU 33 Cb 0.91 -0.94 -0.03 0.00 0.53 0.00 0.00 43.42 43.90 1pun n LEU 33 CO 0.13 -0.25 -0.10 1.21 -1.11 0.00 0.00 177.39 177.27 1pun n GLU 34 N 5.52 1.49 -4.58 1.96 2.13 0.68 -4.06 120.64 123.78 1pun n GLU 34 Ca 0.38 -1.49 -0.27 0.00 0.66 0.00 0.00 57.16 56.44 1pun n GLU 34 Cb 0.21 0.41 -0.11 0.00 0.27 0.00 0.00 31.44 32.22 1pun n GLU 34 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1pun s PHE 35 N -1.75 2.44 1.07 4.31 -0.71 -1.26 0.10 117.98 122.18 1pun s PHE 35 Ca 0.00 -0.62 -0.21 0.00 -1.04 0.00 0.00 56.93 55.05 1pun s PHE 35 Cb 0.00 -1.61 -0.01 0.00 -1.21 0.00 0.00 43.02 40.19 1pun s PHE 35 CO 0.00 0.47 -0.54 -0.35 -1.34 0.00 0.00 175.22 173.47 1pun n PRO 36 N -0.89 -0.94 0.00 1.99 -0.04 -1.24 -4.68 135.00 129.20 1pun n PRO 36 Ca -0.05 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1pun n PRO 36 Cb 0.66 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1pun n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pun n GLY 37 N 2.56 0.81 2.69 0.55 0.00 -1.25 -2.29 105.19 108.26 1pun n GLY 37 Ca -0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1pun n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pun s GLY 38 N -1.65 0.65 0.00 -0.02 0.00 -1.24 -3.83 107.32 101.22 1pun s GLY 38 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1pun s GLY 38 CO 0.00 1.57 0.00 1.17 0.00 0.00 0.00 173.10 175.84 1pun n LYS 39 N 5.10 0.00 -0.01 2.90 4.81 -1.26 -5.00 118.16 124.69 1pun n LYS 39 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1pun n LYS 39 Cb 0.47 0.00 0.31 0.00 0.02 0.00 0.00 35.03 35.83 1pun n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1pun h ILE 40 N 0.00 1.18 0.00 3.15 3.07 -1.84 -3.32 117.51 119.75 1pun h ILE 40 Ca 0.00 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1pun h ILE 40 Cb 0.00 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 37.37 1pun h ILE 40 CO 0.00 0.24 0.00 -1.84 -1.05 0.00 0.00 178.15 175.50 1pun n GLU 41 N -4.32 0.00 0.00 0.16 0.28 -1.25 -4.35 120.64 111.16 1pun n GLU 41 Ca 0.02 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 1pun n GLU 41 Cb 0.20 -0.67 0.00 0.00 1.43 0.00 0.00 31.44 32.40 1pun n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1pun n MET 42 N -0.28 0.00 -0.66 3.44 2.81 -1.25 -2.29 117.12 118.89 1pun n MET 42 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 1pun n MET 42 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1pun n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pun n GLY 43 N 0.00 -0.25 0.00 3.03 0.00 -1.26 -5.13 105.19 101.58 1pun n GLY 43 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pun n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pun n GLU 44 N -0.01 1.66 -3.48 1.61 4.71 -0.97 -5.07 120.64 119.09 1pun n GLU 44 Ca -0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.86 1pun n GLU 44 Cb 0.37 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.79 1pun n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1pun s THR 45 N 1.07 4.72 0.58 2.62 2.01 -1.26 -4.74 115.64 120.63 1pun s THR 45 Ca 0.00 -0.72 0.36 0.00 0.31 0.00 0.00 61.69 61.64 1pun s THR 45 Cb 0.00 -3.69 0.52 0.00 0.01 0.00 0.00 72.50 69.34 1pun s THR 45 CO 0.00 -0.37 1.58 1.55 -0.69 0.00 0.00 174.62 176.69 1pun h PRO 46 N 0.82 0.00 0.00 4.92 0.13 -1.99 0.59 132.00 136.48 1pun h PRO 46 Ca -0.49 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.28 1pun h PRO 46 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 1pun h PRO 46 CO 0.59 0.00 -2.22 0.39 -0.23 0.00 0.00 178.00 176.52 1pun n GLU 47 N -3.71 0.46 0.00 0.86 4.71 -1.26 -4.49 120.64 117.21 1pun n GLU 47 Ca 0.27 0.20 0.07 0.00 -0.01 0.00 0.00 57.16 57.69 1pun n GLU 47 Cb 1.47 -1.28 0.35 0.00 -1.01 0.00 0.00 31.44 30.97 1pun n GLU 47 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1pun n GLN 48 N -3.95 0.24 -0.00 3.49 6.02 -0.79 -1.72 117.38 120.67 1pun n GLN 48 Ca -0.43 0.13 -0.18 0.00 -0.01 0.00 0.00 57.00 56.51 1pun n GLN 48 Cb 0.81 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.43 1pun n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pun h ALA 49 N 2.69 -0.05 0.23 -1.58 0.00 -0.06 -3.28 119.26 117.21 1pun h ALA 49 Ca 0.00 -0.63 -0.33 0.00 0.00 0.00 0.00 54.91 53.95 1pun h ALA 49 Cb 0.10 0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.99 1pun h ALA 49 CO 0.00 0.23 -1.46 -0.24 0.00 0.00 0.00 179.25 177.78 1pun h VAL 50 N -0.64 1.30 -0.98 0.00 3.04 -1.71 -3.26 116.25 114.01 1pun h VAL 50 Ca -0.09 -2.76 0.23 0.00 -1.01 0.00 0.00 66.70 63.08 1pun h VAL 50 Cb 1.38 3.02 -0.08 0.00 -2.01 0.00 0.00 31.29 33.59 1pun h VAL 50 CO 0.08 0.83 0.64 0.58 -1.01 0.00 0.00 177.57 178.69 1pun h VAL 51 N 0.13 0.61 0.00 1.51 2.07 -1.49 1.66 116.25 120.74 1pun h VAL 51 Ca -0.24 -0.14 -0.16 0.00 0.82 0.00 0.00 66.70 66.97 1pun h VAL 51 Cb 2.14 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1pun h VAL 51 CO 0.26 0.08 -0.78 0.03 0.02 0.00 0.00 177.57 177.18 1pun h ARG 52 N 0.42 0.00 0.16 1.57 2.47 -1.65 -3.19 114.38 114.16 1pun h ARG 52 Ca 0.53 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.96 1pun h ARG 52 Cb 1.32 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.66 1pun h ARG 52 CO -0.23 0.78 -1.29 0.93 0.56 0.00 0.00 179.97 180.71 1pun h GLU 53 N 0.00 0.44 -0.62 0.04 3.07 -0.29 -2.73 114.58 114.49 1pun h GLU 53 Ca -0.01 -0.69 0.13 0.00 -0.50 0.00 0.00 59.36 58.29 1pun h GLU 53 Cb 1.51 0.25 -0.11 0.00 -0.84 0.00 0.00 28.75 29.56 1pun h GLU 53 CO 0.10 1.31 -0.08 1.25 -1.40 0.00 0.00 179.01 180.20 1pun h LEU 54 N 0.15 -0.43 -0.51 1.33 5.85 0.22 1.67 115.31 123.59 1pun h LEU 54 Ca -0.18 0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1pun h LEU 54 Cb 1.99 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 43.33 1pun h LEU 54 CO 0.23 -0.17 -0.57 1.56 -0.34 0.00 0.00 178.44 179.16 1pun h GLN 55 N 0.05 0.00 0.00 1.25 1.08 -1.64 -1.26 115.11 114.60 1pun h GLN 55 Ca 0.31 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.43 1pun h GLN 55 Cb 0.50 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1pun h GLN 55 CO -0.59 0.57 -0.40 1.49 -0.95 0.00 0.00 178.83 178.95 1pun h GLU 56 N 0.00 0.00 -0.25 1.46 4.22 0.34 0.93 114.58 121.27 1pun h GLU 56 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1pun h GLU 56 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1pun h GLU 56 CO 0.07 0.40 0.00 0.39 -2.18 0.00 0.00 179.01 177.70 1pun n GLU 57 N -3.55 2.02 0.00 1.92 4.71 0.52 0.17 120.64 126.42 1pun n GLU 57 Ca -0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 57.16 55.34 1pun n GLU 57 Cb 0.52 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.65 1pun n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1pun n VAL 58 N 0.75 0.00 0.00 2.62 0.31 -0.49 -4.16 118.33 117.36 1pun n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1pun n VAL 58 Cb 0.41 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1pun n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pun n GLY 59 N 2.07 0.49 1.94 2.92 0.00 0.32 0.10 105.19 113.03 1pun n GLY 59 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1pun n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pun n ILE 60 N 0.00 0.00 -3.70 -0.61 -5.35 -1.26 -4.85 119.36 103.60 1pun n ILE 60 Ca 0.00 -0.44 -0.37 0.00 -0.27 0.00 0.00 62.75 61.68 1pun n ILE 60 Cb 0.00 -1.58 -0.09 0.00 -1.74 0.00 0.00 39.64 36.23 1pun n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1pun s THR 61 N -2.37 3.85 0.08 7.28 -4.23 -1.26 -4.95 115.64 114.04 1pun s THR 61 Ca 0.38 -3.08 0.04 0.00 -1.18 0.00 0.00 61.69 57.85 1pun s THR 61 Cb -0.02 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1pun s THR 61 CO 0.27 -0.91 0.00 -2.16 -0.54 0.00 0.00 174.62 171.28 1pun s PRO 62 N -0.25 2.59 -1.24 3.99 0.04 -1.26 -3.06 135.00 135.81 1pun s PRO 62 Ca 0.18 -0.80 -0.20 0.00 0.04 0.00 0.00 61.00 60.22 1pun s PRO 62 Cb -0.18 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 1pun s PRO 62 CO -0.05 0.55 1.85 1.04 0.04 0.00 0.00 177.00 180.44 1pun n GLN 63 N 0.70 2.35 -4.85 4.56 6.02 0.11 -4.84 117.38 121.43 1pun n GLN 63 Ca -0.11 -2.83 -0.29 0.00 -0.01 0.00 0.00 57.00 53.75 1pun n GLN 63 Cb 0.52 -3.60 -0.17 0.00 1.02 0.00 0.00 30.24 28.01 1pun n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1pun s HIS 64 N 7.69 2.12 -0.41 1.08 2.46 -1.23 0.80 115.29 127.79 1pun s HIS 64 Ca 0.61 -0.89 0.00 0.00 0.47 0.00 0.00 55.06 55.26 1pun s HIS 64 Cb 0.02 -1.46 0.00 0.00 -0.13 0.00 0.00 32.58 31.01 1pun s HIS 64 CO 0.11 -0.40 0.00 0.34 -2.47 0.00 0.00 174.74 172.32 1pun n PHE 65 N 3.77 0.00 -0.53 3.88 7.35 -1.26 -4.94 117.46 125.73 1pun n PHE 65 Ca -0.20 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.54 1pun n PHE 65 Cb 0.52 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.32 1pun n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pun n SER 66 N 0.25 -2.87 -4.09 -2.13 2.88 -1.26 -3.32 113.62 103.08 1pun n SER 66 Ca 0.00 0.56 -0.32 0.00 -1.33 0.00 0.00 58.87 57.78 1pun n SER 66 Cb 0.00 -1.67 -0.16 0.00 -0.75 0.00 0.00 64.21 61.63 1pun n SER 66 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1pun s LEU 67 N -4.90 2.06 0.14 2.46 0.05 -1.26 0.19 118.68 117.42 1pun s LEU 67 Ca 0.00 -0.64 -0.04 0.00 0.05 0.00 0.00 54.13 53.50 1pun s LEU 67 Cb 0.00 -1.41 -0.07 0.00 -2.05 0.00 0.00 46.19 42.67 1pun s LEU 67 CO 0.00 -0.02 1.33 0.15 -0.55 0.00 0.00 176.35 177.26 1pun h PHE 68 N 7.96 0.62 -1.85 3.48 3.04 -1.48 -3.42 116.94 125.29 1pun h PHE 68 Ca -0.43 -0.32 0.25 0.00 3.98 0.00 0.00 57.97 61.44 1pun h PHE 68 Cb 1.14 -0.08 -0.11 0.00 2.56 0.00 0.00 35.95 39.45 1pun h PHE 68 CO 0.48 1.13 0.67 -2.00 -2.02 0.00 0.00 178.31 176.57 1pun s GLU 69 N -3.36 0.72 -0.07 1.11 2.12 -1.20 -5.01 118.70 113.00 1pun s GLU 69 Ca -0.06 -0.38 -0.04 0.00 0.36 0.00 0.00 54.97 54.85 1pun s GLU 69 Cb 0.09 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.77 1pun s GLU 69 CO 0.86 -0.33 0.16 -1.59 -0.54 0.00 0.00 175.26 173.83 1pun s LYS 70 N -2.80 0.13 -0.34 4.30 -2.85 -1.26 0.13 119.74 117.04 1pun s LYS 70 Ca 0.12 0.37 -0.14 0.00 -1.00 0.00 0.00 55.97 55.32 1pun s LYS 70 Cb 0.02 -0.11 -0.01 0.00 -2.06 0.00 0.00 37.83 35.66 1pun s LYS 70 CO -0.02 -0.14 0.30 -1.17 0.10 0.00 0.00 175.35 174.43 1pun s LEU 71 N 0.96 4.50 -0.31 2.77 2.96 0.66 -4.90 118.68 125.32 1pun s LEU 71 Ca -0.07 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1pun s LEU 71 Cb -0.09 -2.24 0.06 0.00 0.50 0.00 0.00 46.19 44.42 1pun s LEU 71 CO -0.05 -0.29 0.02 -0.70 -1.32 0.00 0.00 176.35 174.00 1pun s GLU 72 N 1.87 2.34 -0.05 1.98 2.12 -1.26 0.75 118.70 126.45 1pun s GLU 72 Ca 0.09 -1.35 -0.02 0.00 0.36 0.00 0.00 54.97 54.05 1pun s GLU 72 Cb -0.17 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 31.03 1pun s GLU 72 CO 0.11 -0.68 0.10 -0.47 -0.54 0.00 0.00 175.26 173.78 1pun s TYR 73 N 1.22 -0.10 -0.16 5.30 5.04 -1.16 -5.07 117.35 122.43 1pun s TYR 73 Ca -0.03 0.33 -0.01 0.00 -2.44 0.00 0.00 57.07 54.91 1pun s TYR 73 Cb -0.20 -0.09 -0.01 0.00 0.35 0.00 0.00 41.96 42.00 1pun s TYR 73 CO -0.02 -0.12 -0.10 -1.83 -1.34 0.00 0.00 175.55 172.15 1pun s GLU 74 N 0.86 3.39 0.37 4.97 -1.05 -1.26 -1.58 118.70 124.40 1pun s GLU 74 Ca -0.07 -0.66 0.03 0.00 -0.15 0.00 0.00 54.97 54.12 1pun s GLU 74 Cb -0.09 -2.76 -0.01 0.00 -0.44 0.00 0.00 34.13 30.82 1pun s GLU 74 CO -0.04 0.08 0.54 -0.06 0.95 0.00 0.00 175.26 176.73 1pun s PHE 75 N 0.71 3.26 -0.09 4.83 0.08 0.51 -4.89 117.98 122.39 1pun s PHE 75 Ca -0.05 0.07 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 1pun s PHE 75 Cb -0.15 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 1pun s PHE 75 CO 0.02 -0.05 0.84 -2.30 -0.10 0.00 0.00 175.22 173.62 1pun n PRO 76 N -1.79 0.00 0.00 0.24 -0.01 -1.26 -1.16 135.00 131.02 1pun n PRO 76 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.47 1pun n PRO 76 Cb 0.57 -0.73 0.00 0.00 -0.01 0.00 0.00 33.50 33.34 1pun n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 1pun n ASP 77 N 3.37 0.00 -4.58 2.55 2.03 -1.26 -4.95 116.55 113.71 1pun n ASP 77 Ca 0.06 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 1pun n ASP 77 Cb 0.33 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.69 1pun n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1pun s ARG 78 N 0.00 3.63 0.15 -0.67 3.52 -0.30 -3.40 118.95 121.88 1pun s ARG 78 Ca 0.00 0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.92 1pun s ARG 78 Cb 0.00 -3.89 -0.04 0.00 -1.56 0.00 0.00 34.95 29.46 1pun s ARG 78 CO 0.00 -1.15 0.25 -1.58 -0.81 0.00 0.00 175.30 172.01 1pun s HIS 79 N 3.69 3.41 0.03 5.12 5.65 0.23 -0.37 115.29 133.05 1pun s HIS 79 Ca 0.38 0.09 0.05 0.00 0.25 0.00 0.00 55.06 55.82 1pun s HIS 79 Cb -0.11 -1.63 -0.02 0.00 -1.18 0.00 0.00 32.58 29.64 1pun s HIS 79 CO 0.24 0.52 -0.14 -1.50 -0.65 0.00 0.00 174.74 173.21 1pun s ILE 80 N -1.74 1.13 -0.12 0.89 2.07 -0.62 -0.20 121.20 122.62 1pun s ILE 80 Ca 0.34 -0.97 -0.00 0.00 -1.41 0.00 0.00 60.65 58.61 1pun s ILE 80 Cb -0.11 -1.01 0.02 0.00 0.13 0.00 0.00 42.46 41.49 1pun s ILE 80 CO 0.27 0.04 -0.10 0.42 -1.91 0.00 0.00 174.94 173.66 1pun s THR 81 N -0.80 1.19 -0.27 4.00 -4.23 0.14 -2.98 115.64 112.68 1pun s THR 81 Ca 0.02 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.09 1pun s THR 81 Cb -0.08 -1.16 0.02 0.00 1.34 0.00 0.00 72.50 72.62 1pun s THR 81 CO 0.01 0.39 0.01 -0.22 -0.54 0.00 0.00 174.62 174.27 1pun s LEU 82 N 1.56 3.53 -0.22 4.79 1.98 0.23 0.68 118.68 131.23 1pun s LEU 82 Ca 0.03 -0.83 -0.06 0.00 -2.89 0.00 0.00 54.13 50.39 1pun s LEU 82 Cb -0.13 -1.76 -0.03 0.00 0.66 0.00 0.00 46.19 44.93 1pun s LEU 82 CO -0.08 -0.16 0.03 0.26 -1.89 0.00 0.00 176.35 174.51 1pun s TRP 83 N 1.40 3.06 -0.18 5.38 0.52 0.77 0.24 118.94 130.13 1pun s TRP 83 Ca 0.01 -0.46 -0.07 0.00 0.02 0.00 0.00 56.10 55.60 1pun s TRP 83 Cb -0.17 -2.15 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 1pun s TRP 83 CO -0.01 -0.30 0.04 -0.06 0.02 0.00 0.00 176.95 176.64 1pun s PHE 84 N 1.28 3.21 -0.20 -1.98 0.40 0.34 0.19 117.98 121.21 1pun s PHE 84 Ca 0.04 -0.00 -0.05 0.00 -0.60 0.00 0.00 56.93 56.32 1pun s PHE 84 Cb -0.15 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 1pun s PHE 84 CO 0.02 0.12 -0.00 -1.58 0.70 0.00 0.00 175.22 174.48 1pun s TRP 85 N 0.35 3.03 -0.75 0.36 0.52 0.29 -1.38 118.94 121.36 1pun s TRP 85 Ca 0.02 -0.50 -0.24 0.00 0.02 0.00 0.00 56.10 55.39 1pun s TRP 85 Cb -0.13 -2.09 0.05 0.00 -1.15 0.00 0.00 33.47 30.15 1pun s TRP 85 CO 0.01 -0.27 1.17 -1.17 0.02 0.00 0.00 176.95 176.70 1pun s LEU 86 N 1.07 3.79 0.44 2.99 2.96 0.51 -3.18 118.68 127.26 1pun s LEU 86 Ca 0.02 -0.88 -0.23 0.00 -0.22 0.00 0.00 54.13 52.83 1pun s LEU 86 Cb -0.14 -2.50 -0.08 0.00 0.50 0.00 0.00 46.19 43.97 1pun s LEU 86 CO 0.01 -1.60 1.09 -0.69 -1.32 0.00 0.00 176.35 173.84 1pun s VAL 87 N 4.81 3.52 -0.08 1.68 1.01 -1.07 -4.07 120.40 126.20 1pun s VAL 87 Ca 0.31 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.45 1pun s VAL 87 Cb -0.10 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 1pun s VAL 87 CO 0.09 -0.04 -0.01 1.21 0.00 0.00 0.00 175.10 176.34 1pun n GLU 88 N -0.38 1.89 -3.64 2.72 2.13 -0.94 -3.62 120.64 118.80 1pun n GLU 88 Ca 0.07 0.02 -0.08 0.00 0.66 0.00 0.00 57.16 57.83 1pun n GLU 88 Cb 0.50 -1.18 -0.02 0.00 0.27 0.00 0.00 31.44 31.01 1pun n GLU 88 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pun s ARG 89 N -2.17 1.29 -0.13 5.31 6.06 0.24 -3.92 118.95 125.63 1pun s ARG 89 Ca -0.07 -0.62 -0.06 0.00 -2.50 0.00 0.00 55.73 52.48 1pun s ARG 89 Cb 0.02 0.50 0.05 0.00 0.06 0.00 0.00 34.95 35.59 1pun s ARG 89 CO 0.26 -0.58 0.30 1.67 -2.50 0.00 0.00 175.30 174.45 1pun s TRP 90 N -3.54 -0.43 0.39 5.12 -2.14 -1.23 0.09 118.94 117.20 1pun s TRP 90 Ca 0.07 0.97 -0.23 0.00 2.66 0.00 0.00 56.10 59.57 1pun s TRP 90 Cb -0.02 0.11 -0.10 0.00 -3.10 0.00 0.00 33.47 30.36 1pun s TRP 90 CO -0.03 -0.28 0.97 -2.00 -2.66 0.00 0.00 176.95 172.95 1pun s GLU 91 N 1.42 4.34 6.92 3.25 -6.30 -1.17 -4.79 118.70 122.36 1pun s GLU 91 Ca -0.08 1.28 0.00 0.00 -2.50 0.00 0.00 54.97 53.66 1pun s GLU 91 Cb -0.10 -2.48 0.00 0.00 0.00 0.00 0.00 34.13 31.55 1pun s GLU 91 CO -0.10 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1pun n GLY 92 N 0.01 3.68 3.02 -1.50 0.00 -1.26 -4.57 105.19 104.57 1pun n GLY 92 Ca 0.05 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 1pun n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pun s GLU 93 N 0.00 0.67 0.02 1.61 2.02 -1.26 -5.13 118.70 116.62 1pun s GLU 93 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 1pun s GLU 93 Cb 0.00 -0.64 -0.04 0.00 0.10 0.00 0.00 34.13 33.55 1pun s GLU 93 CO 0.00 0.17 1.13 -2.14 0.02 0.00 0.00 175.26 174.44 1pun s PRO 94 N -0.35 4.45 0.16 0.39 0.02 -1.26 -4.62 135.00 133.79 1pun s PRO 94 Ca 0.02 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1pun s PRO 94 Cb -0.04 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.06 1pun s PRO 94 CO -0.00 -0.23 0.00 -2.67 -0.33 0.00 0.00 177.00 173.76 1pun n TRP 95 N 4.19 -1.29 0.00 6.54 4.27 0.11 -4.93 117.44 126.32 1pun n TRP 95 Ca 0.08 0.23 0.00 0.00 -3.89 0.00 0.00 57.50 53.92 1pun n TRP 95 Cb 0.48 0.43 0.00 0.00 -1.36 0.00 0.00 31.31 30.85 1pun n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1pun n GLY 96 N 1.99 0.54 0.00 -1.67 0.00 0.29 -3.83 105.19 102.50 1pun n GLY 96 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1pun n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pun n LYS 97 N 0.00 0.00 -0.19 1.61 5.02 0.44 -4.70 118.16 120.35 1pun n LYS 97 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1pun n LYS 97 Cb 0.00 0.00 0.38 0.00 -0.02 0.00 0.00 35.03 35.39 1pun n LYS 97 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1pun h GLU 98 N 0.00 0.68 0.00 1.97 4.11 -1.67 -3.44 114.58 116.22 1pun h GLU 98 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1pun h GLU 98 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1pun h GLU 98 CO 0.00 0.45 0.00 0.41 0.07 0.00 0.00 179.01 179.94 1pun n GLY 99 N -1.46 4.01 2.76 1.06 0.00 -1.26 -4.95 105.19 105.35 1pun n GLY 99 Ca 0.12 -0.75 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 1pun n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pun s GLN 100 N 0.00 0.75 0.36 1.61 1.11 -1.26 -5.05 119.66 117.17 1pun s GLN 100 Ca 0.00 -0.35 -0.24 0.00 0.01 0.00 0.00 55.36 54.78 1pun s GLN 100 Cb 0.00 -1.91 -0.14 0.00 -1.01 0.00 0.00 33.01 29.95 1pun s GLN 100 CO 0.00 -0.56 0.52 -2.30 0.01 0.00 0.00 175.29 172.96 1pun n PRO 101 N 5.04 0.46 -4.40 2.91 -0.02 -1.26 -4.47 135.00 133.25 1pun n PRO 101 Ca -0.09 0.16 -0.22 0.00 -2.02 0.00 0.00 63.50 61.34 1pun n PRO 101 Cb 0.48 -1.36 -0.08 0.00 -0.02 0.00 0.00 33.50 32.51 1pun n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1pun s GLY 102 N -0.92 2.38 0.05 -1.23 0.00 -1.26 -3.52 107.32 102.83 1pun s GLY 102 Ca 0.62 -1.61 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1pun s GLY 102 CO 0.59 -1.66 -0.11 -0.54 0.00 0.00 0.00 173.10 171.38 1pun s GLU 103 N -3.67 0.66 -0.33 2.90 2.02 -1.26 -4.90 118.70 114.12 1pun s GLU 103 Ca 0.32 -0.85 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 1pun s GLU 103 Cb 0.03 -0.53 -0.07 0.00 0.10 0.00 0.00 34.13 33.66 1pun s GLU 103 CO 0.19 0.11 2.29 -2.67 0.02 0.00 0.00 175.26 175.20 1pun n TRP 104 N 1.38 1.73 -4.56 1.61 4.27 -1.26 -3.23 117.44 117.38 1pun n TRP 104 Ca -0.22 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.11 1pun n TRP 104 Cb 0.54 -2.67 -0.14 0.00 -1.36 0.00 0.00 31.31 27.69 1pun n TRP 104 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1pun s MET 105 N 6.97 1.50 -0.13 -2.67 0.23 -1.01 -4.78 119.30 119.40 1pun s MET 105 Ca 1.02 -1.23 -0.30 0.00 -1.03 0.00 0.00 55.69 54.15 1pun s MET 105 Cb -0.38 -1.86 -0.08 0.00 -1.53 0.00 0.00 34.83 30.99 1pun s MET 105 CO 0.35 0.46 2.10 0.45 -2.03 0.00 0.00 175.02 176.34 1pun n SER 106 N 1.26 3.47 0.21 -1.18 2.88 -1.26 0.46 113.62 119.46 1pun n SER 106 Ca -0.18 0.54 0.14 0.00 -1.33 0.00 0.00 58.87 58.05 1pun n SER 106 Cb 0.53 -1.50 0.44 0.00 -0.75 0.00 0.00 64.21 62.93 1pun n SER 106 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1pun h LEU 107 N 12.67 0.00 -1.44 2.46 7.12 -1.86 -3.22 115.31 131.04 1pun h LEU 107 Ca -0.44 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.57 1pun h LEU 107 Cb 1.25 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1pun h LEU 107 CO 0.96 0.00 0.28 1.62 -0.13 0.00 0.00 178.44 181.17 1pun h VAL 108 N 0.00 0.00 -1.15 1.05 3.04 -1.88 -2.24 116.25 115.07 1pun h VAL 108 Ca 0.00 0.00 -0.42 0.00 -1.01 0.00 0.00 66.70 65.27 1pun h VAL 108 Cb 0.69 0.48 -0.40 0.00 -2.01 0.00 0.00 31.29 30.05 1pun h VAL 108 CO 0.00 0.00 -1.09 0.61 -1.01 0.00 0.00 177.57 176.08 1pun n GLY 109 N -1.25 2.60 3.74 3.17 0.00 -1.22 -5.11 105.19 107.13 1pun n GLY 109 Ca -0.01 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 1pun n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pun s LEU 110 N -3.20 3.60 -0.35 0.99 0.20 -0.84 -5.00 118.68 114.07 1pun s LEU 110 Ca 0.32 2.51 -0.02 0.00 0.69 0.00 0.00 54.13 57.63 1pun s LEU 110 Cb 0.44 -4.61 0.08 0.00 -0.43 0.00 0.00 46.19 41.67 1pun s LEU 110 CO -0.02 -1.85 0.10 0.20 -0.29 0.00 0.00 176.35 174.49 1pun s ASN 111 N -1.51 5.07 0.30 3.68 0.01 -1.26 -4.89 114.94 116.34 1pun s ASN 111 Ca 0.80 -1.66 0.26 0.00 -0.71 0.00 0.00 52.86 51.55 1pun s ASN 111 Cb -0.34 -1.77 0.98 0.00 0.41 0.00 0.00 41.25 40.53 1pun s ASN 111 CO 0.37 -0.40 1.76 0.00 -1.51 0.00 0.00 177.10 177.32 1pun h ALA 112 N 8.01 1.00 0.06 0.60 0.00 -1.90 -2.50 119.26 124.52 1pun h ALA 112 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1pun h ALA 112 Cb 1.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pun h ALA 112 CO 0.61 0.00 -0.45 0.38 0.00 0.00 0.00 179.25 179.79 1pun h ASP 113 N 0.00 0.29 0.26 0.00 2.03 -1.94 -3.33 116.42 113.73 1pun h ASP 113 Ca 0.00 -0.91 -0.15 0.00 -0.73 0.00 0.00 57.03 55.25 1pun h ASP 113 Cb 0.48 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.88 1pun h ASP 113 CO 0.00 1.17 -0.57 -0.78 -1.03 0.00 0.00 179.24 178.03 1pun h ASP 114 N -0.54 0.36 -4.49 4.15 1.82 -1.90 -3.45 116.42 112.37 1pun h ASP 114 Ca -0.07 -0.19 -0.49 0.00 -0.39 0.00 0.00 57.03 55.89 1pun h ASP 114 Cb 1.29 -0.10 0.09 0.00 0.68 0.00 0.00 39.33 41.28 1pun h ASP 114 CO 0.08 0.85 0.41 0.72 -1.61 0.00 0.00 179.24 179.69 1pun s PHE 115 N -3.86 3.21 0.30 0.28 -0.71 -0.95 -3.13 117.98 113.12 1pun s PHE 115 Ca -0.05 1.00 -0.29 0.00 -1.04 0.00 0.00 56.93 56.55 1pun s PHE 115 Cb 0.12 -3.16 -0.13 0.00 -1.21 0.00 0.00 43.02 38.64 1pun s PHE 115 CO 0.81 -1.35 1.28 -0.35 -1.34 0.00 0.00 175.22 174.27 1pun n PRO 116 N -3.10 1.95 0.14 1.99 -0.04 -1.23 -4.87 135.00 129.84 1pun n PRO 116 Ca 0.07 0.69 0.12 0.00 -0.04 0.00 0.00 63.50 64.34 1pun n PRO 116 Cb 0.58 -2.26 0.51 0.00 -0.04 0.00 0.00 33.50 32.29 1pun n PRO 116 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1pun n PRO 117 N 1.10 0.20 0.19 0.54 -0.04 -1.26 -2.86 135.00 132.87 1pun n PRO 117 Ca 0.08 0.45 0.05 0.00 -0.04 0.00 0.00 63.50 64.04 1pun n PRO 117 Cb 0.34 -1.90 0.49 0.00 -0.04 0.00 0.00 33.50 32.39 1pun n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pun h ALA 118 N 2.23 1.70 -0.00 0.55 0.00 -1.97 -2.53 119.26 119.25 1pun h ALA 118 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pun h ALA 118 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pun h ALA 118 CO 0.00 0.22 -0.66 0.09 0.00 0.00 0.00 179.25 178.90 1pun n ASN 119 N -4.36 1.16 -0.27 0.00 4.13 -1.13 -4.53 115.26 110.26 1pun n ASN 119 Ca -0.02 -1.08 0.16 0.00 1.68 0.00 0.00 54.58 55.32 1pun n ASN 119 Cb 0.21 0.81 0.44 0.00 -1.54 0.00 0.00 39.78 39.70 1pun n ASN 119 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1pun h GLU 120 N 0.73 0.54 -0.78 3.52 4.81 -1.43 -2.89 114.58 119.09 1pun h GLU 120 Ca 0.00 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.35 1pun h GLU 120 Cb 0.49 -0.12 -0.15 0.00 0.63 0.00 0.00 28.75 29.60 1pun h GLU 120 CO 0.00 0.36 -0.22 -1.35 -0.73 0.00 0.00 179.01 177.06 1pun h PRO 121 N 0.56 -0.02 0.01 0.92 0.11 -1.80 1.69 132.00 133.47 1pun h PRO 121 Ca 0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.60 1pun h PRO 121 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1pun h PRO 121 CO -0.23 -0.01 -0.01 -0.39 -0.21 0.00 0.00 178.00 177.15 1pun h VAL 122 N -0.02 1.04 -0.24 3.15 -1.51 -1.87 -3.32 116.25 113.48 1pun h VAL 122 Ca 0.36 -1.74 0.07 0.00 -1.23 0.00 0.00 66.70 64.16 1pun h VAL 122 Cb 0.57 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1pun h VAL 122 CO -0.81 0.35 0.20 0.40 -1.23 0.00 0.00 177.57 176.48 1pun h ILE 123 N -0.99 0.72 -0.18 7.19 1.08 -1.39 -1.35 117.51 122.59 1pun h ILE 123 Ca -0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 1pun h ILE 123 Cb 0.58 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 1pun h ILE 123 CO 0.00 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.35 1pun h ALA 124 N 1.83 0.03 -0.31 1.87 0.00 0.24 1.95 119.26 124.88 1pun h ALA 124 Ca 0.11 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1pun h ALA 124 Cb 0.50 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1pun h ALA 124 CO -0.00 -0.54 -0.05 0.87 0.00 0.00 0.00 179.25 179.52 1pun h LYS 125 N -0.10 0.03 0.00 0.00 1.57 -1.35 0.23 116.57 116.94 1pun h LYS 125 Ca 0.10 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1pun h LYS 125 Cb 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1pun h LYS 125 CO -0.24 0.02 -0.00 1.25 -0.57 0.00 0.00 179.45 179.91 1pun h LEU 126 N 0.03 -0.00 -1.03 2.94 5.85 -1.46 -3.32 115.31 118.32 1pun h LEU 126 Ca 0.15 -0.86 0.19 0.00 0.84 0.00 0.00 57.88 58.20 1pun h LEU 126 Cb 0.22 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 1pun h LEU 126 CO -0.30 0.86 0.61 0.50 -0.34 0.00 0.00 178.44 179.78 1pun h LYS 127 N -0.87 0.72 0.00 1.25 3.64 0.32 1.33 116.57 122.97 1pun h LYS 127 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pun h LYS 127 Cb 0.86 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1pun h LYS 127 CO 0.00 0.48 0.00 -2.13 -2.27 0.00 0.00 179.45 175.53 1pun n ARG 128 N -4.76 0.01 -0.14 1.90 0.63 0.79 -5.00 116.66 110.08 1pun n ARG 128 Ca 0.23 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1pun n ARG 128 Cb 0.59 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 32.00 1pun n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40