#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 4.00 -0.02 0.03 2.36 -1.23 -4.97 119.74 119.91 1pun s LYS 2 Ca 0.00 1.45 -0.00 0.00 -2.55 0.00 0.00 55.97 54.87 1pun s LYS 2 Cb 0.00 -3.87 0.02 0.00 -1.05 0.00 0.00 37.83 32.93 1pun s LYS 2 CO 0.00 -1.01 0.03 -1.59 1.55 0.00 0.00 175.35 174.33 1pun s LYS 3 N 4.03 -0.02 -0.12 4.03 0.00 -1.26 0.14 119.74 126.54 1pun s LYS 3 Ca 0.58 0.14 -0.06 0.00 0.00 0.00 0.00 55.97 56.63 1pun s LYS 3 Cb -0.20 -0.17 0.05 0.00 0.00 0.00 0.00 37.83 37.52 1pun s LYS 3 CO 0.21 -0.12 0.27 -0.48 0.00 0.00 0.00 175.35 175.24 1pun s LEU 4 N 0.74 0.24 0.19 2.77 0.05 0.32 -4.94 118.68 118.05 1pun s LEU 4 Ca -0.06 0.59 0.04 0.00 0.05 0.00 0.00 54.13 54.75 1pun s LEU 4 Cb -0.09 0.82 -0.03 0.00 -2.05 0.00 0.00 46.19 44.84 1pun s LEU 4 CO -0.02 -0.18 0.26 -1.10 -0.55 0.00 0.00 176.35 174.76 1pun s GLN 5 N 1.44 3.26 -0.08 1.48 -0.21 -1.26 -2.22 119.66 122.07 1pun s GLN 5 Ca -0.08 -0.76 -0.08 0.00 0.02 0.00 0.00 55.36 54.46 1pun s GLN 5 Cb -0.10 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 31.10 1pun s GLN 5 CO -0.09 0.47 0.22 0.42 -2.12 0.00 0.00 175.29 174.19 1pun s ILE 6 N -1.86 0.00 -0.10 1.08 1.01 0.42 -3.62 121.20 118.13 1pun s ILE 6 Ca 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.99 1pun s ILE 6 Cb -0.10 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.07 1pun s ILE 6 CO 0.27 -0.01 -0.12 0.00 0.00 0.00 0.00 174.94 175.09 1pun s ALA 7 N 0.10 1.47 0.10 9.38 0.00 -1.20 -0.66 121.76 130.94 1pun s ALA 7 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1pun s ALA 7 Cb -0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1pun s ALA 7 CO 0.00 -0.15 -0.07 0.14 0.00 0.00 0.00 175.76 175.68 1pun s VAL 8 N 1.16 0.76 -0.01 0.00 -7.23 0.37 -3.74 120.40 111.70 1pun s VAL 8 Ca -0.04 -1.86 -0.15 0.00 -1.81 0.00 0.00 61.98 58.12 1pun s VAL 8 Cb -0.14 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.22 1pun s VAL 8 CO -0.03 -0.80 0.31 -0.83 -0.31 0.00 0.00 175.10 173.44 1pun s GLY 9 N -2.90 -0.15 -0.26 2.32 0.00 -1.11 0.11 107.32 105.33 1pun s GLY 9 Ca 0.10 0.31 -0.19 0.00 0.00 0.00 0.00 44.72 44.94 1pun s GLY 9 CO -0.03 0.11 0.59 -0.26 0.00 0.00 0.00 173.10 173.50 1pun s ILE 10 N -1.36 5.01 -0.44 0.90 -0.00 -1.20 -4.10 121.20 120.01 1pun s ILE 10 Ca -0.13 1.03 -0.29 0.00 -0.00 0.00 0.00 60.65 61.26 1pun s ILE 10 Cb -0.05 -3.90 0.03 0.00 -0.00 0.00 0.00 42.46 38.54 1pun s ILE 10 CO 0.04 0.04 1.11 -0.63 -0.00 0.00 0.00 174.94 175.50 1pun s ILE 11 N 2.44 4.29 0.34 8.37 1.01 -1.26 -2.78 121.20 133.60 1pun s ILE 11 Ca 0.24 1.31 -0.25 0.00 0.00 0.00 0.00 60.65 61.96 1pun s ILE 11 Cb -0.16 -4.55 -0.10 0.00 0.01 0.00 0.00 42.46 37.66 1pun s ILE 11 CO 0.09 -0.88 0.94 -0.13 0.00 0.00 0.00 174.94 174.96 1pun s ARG 12 N 4.23 4.52 0.17 2.79 1.81 -1.24 -1.84 118.95 129.40 1pun s ARG 12 Ca 0.47 1.29 0.00 0.00 -1.72 0.00 0.00 55.73 55.76 1pun s ARG 12 Cb -0.08 -2.71 -0.00 0.00 -0.45 0.00 0.00 34.95 31.71 1pun s ARG 12 CO 0.28 0.23 0.00 0.27 -0.68 0.00 0.00 175.30 175.40 1pun n ASN 13 N 0.38 2.43 0.21 0.23 6.94 -0.68 -3.08 115.26 121.70 1pun n ASN 13 Ca 0.03 -1.73 -0.15 0.00 -0.02 0.00 0.00 54.58 52.70 1pun n ASN 13 Cb 0.51 0.12 -0.07 0.00 -2.36 0.00 0.00 39.78 37.98 1pun n ASN 13 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1pun h GLU 14 N 0.00 -0.66 0.00 -3.83 4.81 -1.89 -2.10 114.58 110.92 1pun h GLU 14 Ca -0.14 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1pun h GLU 14 Cb 0.42 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1pun h GLU 14 CO 0.23 -0.44 0.00 -1.71 -0.73 0.00 0.00 179.01 176.36 1pun n ASN 15 N -5.44 0.00 0.00 1.04 5.15 -1.26 -4.82 115.26 109.93 1pun n ASN 15 Ca -0.09 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 53.00 1pun n ASN 15 Cb 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 1pun n ASN 15 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1pun n ASN 16 N -0.87 -2.70 -4.81 1.20 5.15 -0.79 -5.03 115.26 107.42 1pun n ASN 16 Ca 0.12 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.74 1pun n ASN 16 Cb 0.06 -0.45 -0.07 0.00 -0.53 0.00 0.00 39.78 38.79 1pun n ASN 16 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1pun s GLU 17 N -0.10 3.59 -0.30 1.20 -1.05 -1.26 -4.62 118.70 116.16 1pun s GLU 17 Ca 0.00 -0.19 -0.10 0.00 -0.15 0.00 0.00 54.97 54.52 1pun s GLU 17 Cb 0.00 -3.20 -0.02 0.00 -0.44 0.00 0.00 34.13 30.47 1pun s GLU 17 CO 0.00 0.63 0.16 -1.50 0.95 0.00 0.00 175.26 175.51 1pun s ILE 18 N -0.62 4.85 -0.73 1.83 -1.16 0.43 -1.68 121.20 124.11 1pun s ILE 18 Ca 0.12 -0.20 -0.26 0.00 -0.51 0.00 0.00 60.65 59.81 1pun s ILE 18 Cb -0.12 -3.40 -0.07 0.00 0.61 0.00 0.00 42.46 39.48 1pun s ILE 18 CO 0.02 0.14 2.12 0.12 -2.81 0.00 0.00 174.94 174.54 1pun s PHE 19 N 1.67 1.47 0.15 3.50 5.36 -0.76 -2.62 117.98 126.75 1pun s PHE 19 Ca 0.06 1.17 0.05 0.00 -0.96 0.00 0.00 56.93 57.25 1pun s PHE 19 Cb -0.17 -3.82 -0.04 0.00 -0.34 0.00 0.00 43.02 38.65 1pun s PHE 19 CO 0.08 -1.99 0.08 0.96 -1.46 0.00 0.00 175.22 172.89 1pun s ILE 20 N 11.36 4.26 -0.33 3.12 -5.25 -1.16 -4.51 121.20 128.69 1pun s ILE 20 Ca 0.80 -1.12 -0.29 0.00 -0.99 0.00 0.00 60.65 59.05 1pun s ILE 20 Cb -0.12 -3.14 -0.01 0.00 2.95 0.00 0.00 42.46 42.14 1pun s ILE 20 CO 0.12 -0.06 1.63 0.42 -1.79 0.00 0.00 174.94 175.25 1pun s THR 21 N -1.66 3.67 -0.04 8.37 -4.23 0.99 -2.05 115.64 120.69 1pun s THR 21 Ca 0.29 0.70 0.01 0.00 -1.18 0.00 0.00 61.69 61.52 1pun s THR 21 Cb -0.10 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 69.92 1pun s THR 21 CO 0.22 -0.49 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.16 1pun s ARG 22 N 5.17 0.85 -1.13 3.99 3.52 -1.15 -0.30 118.95 129.90 1pun s ARG 22 Ca 0.72 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1pun s ARG 22 Cb -0.20 -0.83 0.00 0.00 -1.56 0.00 0.00 34.95 32.36 1pun s ARG 22 CO 0.32 -0.03 0.00 0.54 -0.81 0.00 0.00 175.30 175.32 1pun n ARG 23 N 3.82 -1.60 0.00 5.12 1.74 -1.24 -4.76 116.66 119.74 1pun n ARG 23 Ca -0.23 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1pun n ARG 23 Cb 0.52 -5.02 0.00 0.00 -1.02 0.00 0.00 32.46 26.94 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 0.88 0.00 -0.01 7.54 0.00 -1.26 -4.70 120.51 122.96 1pun n ALA 24 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1pun n ALA 24 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 0.77 1.96 -3.62 0.00 0.00 -1.26 -4.86 120.51 113.50 1pun n ALA 25 Ca 0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.17 1pun n ALA 25 Cb 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 19.45 19.69 1pun n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pun s ASP 26 N -3.95 0.98 0.63 0.00 1.11 -1.26 -5.11 116.67 109.07 1pun s ASP 26 Ca -0.02 0.16 0.00 0.00 0.18 0.00 0.00 52.55 52.87 1pun s ASP 26 Cb 0.01 0.29 0.00 0.00 1.07 0.00 0.00 42.92 44.29 1pun s ASP 26 CO 0.05 -0.27 0.00 0.00 1.18 0.00 0.00 175.17 176.13 1pun n ALA 27 N 5.32 0.00 -0.82 5.23 0.00 -1.26 -5.03 120.51 123.95 1pun n ALA 27 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1pun n ALA 27 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 -2.11 -2.72 0.00 8.25 -1.26 -4.78 115.22 112.60 1pun n HIS 28 Ca 0.00 1.09 -0.36 0.00 -0.26 0.00 0.00 57.72 58.19 1pun n HIS 28 Cb 0.00 -1.92 -0.06 0.00 1.12 0.00 0.00 29.99 29.13 1pun n HIS 28 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1pun s MET 29 N -2.40 4.34 0.22 -0.41 -1.94 -1.26 -4.97 119.30 112.88 1pun s MET 29 Ca 0.00 1.32 0.20 0.00 -1.71 0.00 0.00 55.69 55.50 1pun s MET 29 Cb 0.00 -2.53 0.03 0.00 2.01 0.00 0.00 34.83 34.34 1pun s MET 29 CO 0.00 0.05 1.14 0.00 -0.01 0.00 0.00 175.02 176.20 1pun h ALA 30 N 2.57 0.64 -0.67 3.03 0.00 -1.89 -3.33 119.26 119.62 1pun h ALA 30 Ca -0.48 -0.26 -0.36 0.00 0.00 0.00 0.00 54.91 53.81 1pun h ALA 30 Cb 1.20 0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.84 1pun h ALA 30 CO 0.63 0.30 0.46 0.09 0.00 0.00 0.00 179.25 180.73 1pun n ASN 31 N -2.87 3.93 -1.19 0.00 4.13 -1.26 -3.60 115.26 114.40 1pun n ASN 31 Ca -0.01 -3.11 -0.02 0.00 1.68 0.00 0.00 54.58 53.12 1pun n ASN 31 Cb 0.64 -0.77 0.22 0.00 -1.54 0.00 0.00 39.78 38.34 1pun n ASN 31 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1pun n LYS 32 N -0.55 2.30 -1.50 3.52 3.00 -0.71 -3.26 118.16 120.96 1pun n LYS 32 Ca 0.41 -3.05 -0.18 0.00 -0.00 0.00 0.00 58.31 55.48 1pun n LYS 32 Cb 1.21 -1.87 -0.17 0.00 0.00 0.00 0.00 35.03 34.20 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 -0.89 -0.40 -4.62 3.14 0.00 0.29 -4.56 117.00 109.96 1pun n LEU 33 Ca 0.32 -0.91 -0.28 0.00 0.00 0.00 0.00 56.01 55.14 1pun n LEU 33 Cb 1.06 -0.92 -0.11 0.00 0.00 0.00 0.00 43.42 43.45 1pun n LEU 33 CO 0.22 -1.87 -0.29 -0.70 0.00 0.00 0.00 177.39 174.75 1pun s GLU 34 N 7.58 1.95 0.32 1.96 2.56 0.59 -4.08 118.70 129.58 1pun s GLU 34 Ca 1.15 -2.10 0.10 0.00 0.00 0.00 0.00 54.97 54.12 1pun s GLU 34 Cb -0.58 -1.64 -0.06 0.00 2.00 0.00 0.00 34.13 33.86 1pun s GLU 34 CO 0.39 -0.05 -0.12 -0.59 -0.56 0.00 0.00 175.26 174.33 1pun s PHE 35 N -2.71 2.38 1.11 5.30 -0.12 -1.26 -0.01 117.98 122.67 1pun s PHE 35 Ca 0.35 -0.43 -0.16 0.00 -0.05 0.00 0.00 56.93 56.64 1pun s PHE 35 Cb 0.10 -1.25 0.16 0.00 -0.63 0.00 0.00 43.02 41.40 1pun s PHE 35 CO 0.18 0.63 0.43 -0.35 -0.05 0.00 0.00 175.22 176.06 1pun n PRO 36 N -0.75 -1.72 0.00 1.99 -0.04 -1.26 -4.78 135.00 128.44 1pun n PRO 36 Ca -0.05 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1pun n PRO 36 Cb 0.62 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 1.56 0.85 2.92 0.55 0.00 -1.25 -2.74 105.19 107.09 1pun n GLY 37 Ca 0.03 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.80 0.78 0.00 -0.02 0.00 -1.25 -3.25 107.32 101.78 1pun s GLY 38 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1pun s GLY 38 CO 0.00 0.65 0.00 1.17 0.00 0.00 0.00 173.10 174.92 1pun n LYS 39 N 4.65 0.00 0.11 2.90 4.81 -1.26 -4.99 118.16 124.38 1pun n LYS 39 Ca -0.15 0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.29 1pun n LYS 39 Cb 0.50 -0.24 0.19 0.00 0.02 0.00 0.00 35.03 35.50 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 1.36 0.00 3.15 3.07 -1.81 -3.35 117.51 119.93 1pun h ILE 40 Ca 0.00 -1.80 0.00 0.00 1.55 0.00 0.00 64.86 64.61 1pun h ILE 40 Cb 0.00 1.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 1pun h ILE 40 CO 0.00 0.53 0.00 -1.84 -1.05 0.00 0.00 178.15 175.79 1pun n GLU 41 N -3.93 0.00 0.00 0.16 0.28 -1.24 -4.43 120.64 111.48 1pun n GLU 41 Ca -0.02 0.31 0.00 0.00 -0.16 0.00 0.00 57.16 57.29 1pun n GLU 41 Cb 0.55 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 32.54 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 -0.69 0.00 -0.71 3.44 2.81 -1.26 -2.49 117.12 118.22 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 -0.16 0.00 3.03 0.00 -1.26 -5.11 105.19 101.69 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 -0.02 2.04 -3.72 1.61 1.02 -1.04 -5.07 120.64 115.45 1pun n GLU 44 Ca -0.09 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.84 1pun n GLU 44 Cb 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.82 1pun n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1pun s THR 45 N 1.18 4.78 0.54 2.62 2.01 -1.26 -4.76 115.64 120.75 1pun s THR 45 Ca 0.00 -0.95 0.42 0.00 0.31 0.00 0.00 61.69 61.47 1pun s THR 45 Cb 0.00 -3.68 0.63 0.00 0.01 0.00 0.00 72.50 69.46 1pun s THR 45 CO 0.00 -0.28 1.68 1.55 -0.69 0.00 0.00 174.62 176.88 1pun h PRO 46 N 1.02 0.02 0.00 4.92 0.13 -1.99 0.59 132.00 136.70 1pun h PRO 46 Ca -0.49 -0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.29 1pun h PRO 46 Cb 1.24 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1pun h PRO 46 CO 0.58 0.01 -2.20 0.39 -0.23 0.00 0.00 178.00 176.55 1pun n GLU 47 N -4.13 0.48 0.00 0.86 1.02 -1.26 -4.48 120.64 113.14 1pun n GLU 47 Ca 0.36 0.17 0.08 0.00 -0.02 0.00 0.00 57.16 57.74 1pun n GLU 47 Cb 1.62 -1.33 0.40 0.00 -0.02 0.00 0.00 31.44 32.11 1pun n GLU 47 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1pun n GLN 48 N -3.65 0.26 -0.00 3.49 6.02 -0.80 -2.20 117.38 120.50 1pun n GLN 48 Ca -0.41 0.12 -0.19 0.00 -0.01 0.00 0.00 57.00 56.52 1pun n GLN 48 Cb 0.84 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.46 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 2.77 0.01 0.03 -1.58 0.00 -0.06 -3.34 119.26 117.08 1pun h ALA 49 Ca 0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 54.91 53.93 1pun h ALA 49 Cb 0.12 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1pun h ALA 49 CO 0.00 0.39 -1.01 -0.24 0.00 0.00 0.00 179.25 178.39 1pun h VAL 50 N -0.57 1.61 -0.98 0.00 3.04 -1.74 -3.26 116.25 114.34 1pun h VAL 50 Ca -0.15 -3.11 0.21 0.00 -1.01 0.00 0.00 66.70 62.64 1pun h VAL 50 Cb 1.47 2.76 -0.09 0.00 -2.01 0.00 0.00 31.29 33.42 1pun h VAL 50 CO 0.07 0.90 0.62 0.58 -1.01 0.00 0.00 177.57 178.72 1pun h VAL 51 N 0.04 0.66 0.07 1.51 2.07 -1.58 1.91 116.25 120.92 1pun h VAL 51 Ca -0.05 -0.19 -0.24 0.00 0.82 0.00 0.00 66.70 67.04 1pun h VAL 51 Cb 1.73 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1pun h VAL 51 CO 0.15 0.10 -1.10 0.03 0.02 0.00 0.00 177.57 176.77 1pun h ARG 52 N 0.57 0.23 0.13 1.57 3.08 -1.68 -3.26 114.38 115.02 1pun h ARG 52 Ca 0.54 -0.34 -0.28 0.00 0.07 0.00 0.00 59.98 59.97 1pun h ARG 52 Cb 1.12 0.12 0.02 0.00 0.08 0.00 0.00 29.97 31.30 1pun h ARG 52 CO -0.29 1.12 -1.23 0.93 -1.07 0.00 0.00 179.97 179.43 1pun h GLU 53 N 0.09 0.42 -0.62 0.04 3.07 -1.12 -2.61 114.58 113.85 1pun h GLU 53 Ca -0.09 -0.62 0.13 0.00 -0.50 0.00 0.00 59.36 58.27 1pun h GLU 53 Cb 1.81 0.22 -0.11 0.00 -0.84 0.00 0.00 28.75 29.82 1pun h GLU 53 CO 0.17 1.27 -0.10 1.25 -1.40 0.00 0.00 179.01 180.21 1pun h LEU 54 N 0.16 -0.47 -0.30 1.33 5.85 0.28 1.63 115.31 123.78 1pun h LEU 54 Ca -0.16 0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1pun h LEU 54 Cb 1.92 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 43.28 1pun h LEU 54 CO 0.22 -0.18 -0.64 -0.61 -0.34 0.00 0.00 178.44 176.89 1pun h GLN 55 N 0.04 0.00 0.00 1.25 4.15 -1.63 -1.73 115.11 117.18 1pun h GLN 55 Ca 0.31 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.66 1pun h GLN 55 Cb 0.48 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1pun h GLN 55 CO -0.60 0.64 -0.31 1.49 -1.93 0.00 0.00 178.83 178.12 1pun h GLU 56 N 0.00 0.00 -0.30 1.69 4.81 0.15 1.17 114.58 122.10 1pun h GLU 56 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1pun h GLU 56 Cb 1.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1pun h GLU 56 CO 0.08 0.31 0.00 0.39 -0.73 0.00 0.00 179.01 179.07 1pun n GLU 57 N -3.49 2.24 0.00 1.92 4.71 0.51 0.15 120.64 126.68 1pun n GLU 57 Ca -0.00 -1.91 0.00 0.00 -0.01 0.00 0.00 57.16 55.24 1pun n GLU 57 Cb 0.47 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 1pun n GLU 57 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1pun n VAL 58 N 0.76 0.00 0.00 2.62 3.14 -0.66 -4.17 118.33 120.01 1pun n VAL 58 Ca 0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1pun n VAL 58 Cb 0.43 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.73 1pun n VAL 58 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pun n GLY 59 N 2.12 0.43 1.57 7.55 0.00 0.40 0.11 105.19 117.39 1pun n GLY 59 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.67 -0.61 -6.64 -1.26 -4.84 119.36 102.34 1pun n ILE 60 Ca 0.00 -0.45 -0.38 0.00 -1.77 0.00 0.00 62.75 60.16 1pun n ILE 60 Cb 0.00 -1.68 -0.08 0.00 -1.44 0.00 0.00 39.64 36.44 1pun n ILE 60 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1pun s THR 61 N -1.98 4.00 0.13 7.28 -4.23 -1.26 -4.98 115.64 114.60 1pun s THR 61 Ca 0.30 -3.03 0.06 0.00 -1.18 0.00 0.00 61.69 57.85 1pun s THR 61 Cb -0.01 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 1pun s THR 61 CO 0.21 -0.92 -0.03 -2.16 -0.54 0.00 0.00 174.62 171.18 1pun s PRO 62 N -0.21 2.37 -1.23 3.99 0.04 -1.26 -3.03 135.00 135.67 1pun s PRO 62 Ca 0.18 -0.99 -0.21 0.00 0.04 0.00 0.00 61.00 60.03 1pun s PRO 62 Cb -0.18 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 1pun s PRO 62 CO -0.05 0.50 1.83 -0.65 0.04 0.00 0.00 177.00 178.67 1pun s GLN 63 N -2.51 3.22 -0.06 4.56 -0.21 0.29 -4.84 119.66 120.11 1pun s GLN 63 Ca 0.25 -1.55 0.03 0.00 0.02 0.00 0.00 55.36 54.11 1pun s GLN 63 Cb -0.11 -5.38 0.01 0.00 1.00 0.00 0.00 33.01 28.53 1pun s GLN 63 CO 0.17 -3.12 -0.14 -1.58 -2.12 0.00 0.00 175.29 168.49 1pun s HIS 64 N 7.67 1.61 -1.88 0.91 2.46 -1.23 0.19 115.29 125.03 1pun s HIS 64 Ca 0.61 -0.57 0.00 0.00 0.47 0.00 0.00 55.06 55.57 1pun s HIS 64 Cb 0.01 -1.14 0.00 0.00 -0.13 0.00 0.00 32.58 31.32 1pun s HIS 64 CO 0.10 -0.26 0.00 0.34 -2.47 0.00 0.00 174.74 172.45 1pun n PHE 65 N 3.63 0.00 -0.56 3.88 -0.00 -1.26 -4.93 117.46 118.21 1pun n PHE 65 Ca -0.21 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.29 1pun n PHE 65 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.97 1pun n PHE 65 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1pun n SER 66 N 0.84 -3.04 -4.09 -2.13 7.64 -1.26 -2.82 113.62 108.76 1pun n SER 66 Ca 0.00 0.59 -0.32 0.00 1.01 0.00 0.00 58.87 60.15 1pun n SER 66 Cb 0.00 -1.80 -0.15 0.00 -1.01 0.00 0.00 64.21 61.25 1pun n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1pun s LEU 67 N -4.99 3.02 0.10 -3.43 0.20 -1.26 0.16 118.68 112.47 1pun s LEU 67 Ca 0.00 -1.16 -0.09 0.00 0.69 0.00 0.00 54.13 53.57 1pun s LEU 67 Cb 0.00 -1.53 -0.16 0.00 -0.43 0.00 0.00 46.19 44.07 1pun s LEU 67 CO 0.00 -0.13 1.25 0.15 -0.29 0.00 0.00 176.35 177.33 1pun h PHE 68 N 7.83 0.86 -1.85 5.38 3.04 -1.29 -3.43 116.94 127.48 1pun h PHE 68 Ca -0.28 -0.46 0.23 0.00 3.98 0.00 0.00 57.97 61.45 1pun h PHE 68 Cb 1.07 -0.10 -0.13 0.00 2.56 0.00 0.00 35.95 39.36 1pun h PHE 68 CO 0.58 1.28 0.67 -2.00 -2.02 0.00 0.00 178.31 176.83 1pun s GLU 69 N -3.34 0.68 -0.07 1.11 2.12 -1.12 -5.01 118.70 113.08 1pun s GLU 69 Ca -0.08 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.87 1pun s GLU 69 Cb 0.08 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.76 1pun s GLU 69 CO 0.90 -0.31 0.15 -1.59 -0.54 0.00 0.00 175.26 173.87 1pun s LYS 70 N -2.79 0.12 -0.33 4.30 -2.85 -1.26 0.16 119.74 117.08 1pun s LYS 70 Ca 0.11 0.34 -0.14 0.00 -1.00 0.00 0.00 55.97 55.29 1pun s LYS 70 Cb 0.01 -0.12 -0.02 0.00 -2.06 0.00 0.00 37.83 35.65 1pun s LYS 70 CO -0.03 -0.13 0.28 -1.17 0.10 0.00 0.00 175.35 174.40 1pun s LEU 71 N 0.92 4.44 -0.31 2.77 2.96 0.65 -4.94 118.68 125.17 1pun s LEU 71 Ca -0.07 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1pun s LEU 71 Cb -0.09 -2.21 0.07 0.00 0.50 0.00 0.00 46.19 44.46 1pun s LEU 71 CO -0.05 -0.25 0.02 -0.70 -1.32 0.00 0.00 176.35 174.05 1pun s GLU 72 N 1.83 2.24 -0.07 1.98 2.12 -1.26 -0.50 118.70 125.04 1pun s GLU 72 Ca 0.08 -1.43 -0.03 0.00 0.36 0.00 0.00 54.97 53.96 1pun s GLU 72 Cb -0.17 -3.20 0.04 0.00 0.26 0.00 0.00 34.13 31.06 1pun s GLU 72 CO 0.11 -0.71 0.15 -0.47 -0.54 0.00 0.00 175.26 173.80 1pun s TYR 73 N 1.18 -0.18 -0.19 5.30 5.04 -1.13 -5.08 117.35 122.29 1pun s TYR 73 Ca -0.02 0.54 0.01 0.00 -2.44 0.00 0.00 57.07 55.16 1pun s TYR 73 Cb -0.20 -0.15 0.03 0.00 0.35 0.00 0.00 41.96 41.99 1pun s TYR 73 CO -0.03 -0.21 -0.16 -1.83 -1.34 0.00 0.00 175.55 171.98 1pun s GLU 74 N 1.61 2.59 0.65 4.97 -1.05 -1.26 -2.36 118.70 123.84 1pun s GLU 74 Ca -0.04 -0.84 -0.10 0.00 -0.15 0.00 0.00 54.97 53.83 1pun s GLU 74 Cb -0.12 -2.49 -0.00 0.00 -0.44 0.00 0.00 34.13 31.08 1pun s GLU 74 CO -0.06 -0.30 1.03 -0.06 0.95 0.00 0.00 175.26 176.82 1pun s PHE 75 N 1.32 3.39 -0.76 4.83 0.08 -0.96 -4.82 117.98 121.06 1pun s PHE 75 Ca 0.02 1.02 -0.16 0.00 0.12 0.00 0.00 56.93 57.93 1pun s PHE 75 Cb -0.14 -2.89 -0.20 0.00 -0.57 0.00 0.00 43.02 39.22 1pun s PHE 75 CO -0.11 -0.96 2.01 -0.35 -0.10 0.00 0.00 175.22 175.71 1pun n PRO 76 N -2.83 0.19 -0.70 0.24 -0.04 -1.26 0.21 135.00 130.80 1pun n PRO 76 Ca 0.06 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1pun n PRO 76 Cb 0.56 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1pun n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pun n ASP 77 N 12.13 -0.47 -4.06 3.54 8.00 -1.26 -5.09 116.55 129.34 1pun n ASP 77 Ca 0.44 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.83 1pun n ASP 77 Cb 0.36 -0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 41.16 1pun n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1pun s ARG 78 N -1.96 0.54 -0.23 -1.24 3.52 0.55 -3.53 118.95 116.61 1pun s ARG 78 Ca 0.00 -0.89 -0.03 0.00 -0.13 0.00 0.00 55.73 54.68 1pun s ARG 78 Cb 0.00 -0.11 0.11 0.00 -1.56 0.00 0.00 34.95 33.39 1pun s ARG 78 CO 0.00 -0.01 0.27 -1.01 -0.81 0.00 0.00 175.30 173.74 1pun s HIS 79 N -2.15 -0.41 -0.04 5.12 3.76 0.36 -2.27 115.29 119.66 1pun s HIS 79 Ca -0.05 0.27 0.05 0.00 -0.15 0.00 0.00 55.06 55.18 1pun s HIS 79 Cb -0.05 -0.31 -0.01 0.00 1.11 0.00 0.00 32.58 33.33 1pun s HIS 79 CO -0.02 -0.68 -0.21 -1.50 -0.85 0.00 0.00 174.74 171.48 1pun s ILE 80 N 2.38 1.70 -0.10 0.60 2.07 -1.00 0.12 121.20 126.97 1pun s ILE 80 Ca 0.09 -0.88 -0.02 0.00 -1.41 0.00 0.00 60.65 58.43 1pun s ILE 80 Cb -0.15 -1.44 0.03 0.00 0.13 0.00 0.00 42.46 41.03 1pun s ILE 80 CO -0.17 0.48 0.00 0.42 -1.91 0.00 0.00 174.94 173.77 1pun s THR 81 N -0.16 0.43 -0.24 4.00 -4.23 -0.94 -2.85 115.64 111.64 1pun s THR 81 Ca -0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 1pun s THR 81 Cb -0.11 -0.64 0.03 0.00 1.34 0.00 0.00 72.50 73.11 1pun s THR 81 CO 0.02 0.18 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.44 1pun s LEU 82 N 1.94 3.15 -0.24 4.79 1.43 0.35 0.16 118.68 130.25 1pun s LEU 82 Ca 0.04 -0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1pun s LEU 82 Cb -0.13 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1pun s LEU 82 CO -0.06 -0.13 0.12 0.26 0.23 0.00 0.00 176.35 176.77 1pun s TRP 83 N 1.28 3.20 -0.27 0.29 0.52 0.16 0.24 118.94 124.37 1pun s TRP 83 Ca -0.01 -0.04 -0.13 0.00 0.02 0.00 0.00 56.10 55.94 1pun s TRP 83 Cb -0.17 -2.26 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 1pun s TRP 83 CO -0.05 -0.12 0.28 -0.06 0.02 0.00 0.00 176.95 177.02 1pun s PHE 84 N 1.31 3.25 -0.27 -1.98 0.40 0.42 0.14 117.98 121.24 1pun s PHE 84 Ca 0.06 0.29 -0.10 0.00 -0.60 0.00 0.00 56.93 56.58 1pun s PHE 84 Cb -0.15 -2.47 -0.05 0.00 0.51 0.00 0.00 43.02 40.87 1pun s PHE 84 CO 0.05 -0.17 0.16 -1.58 0.70 0.00 0.00 175.22 174.39 1pun s TRP 85 N 1.83 3.20 -0.80 0.36 0.52 0.12 -0.89 118.94 123.28 1pun s TRP 85 Ca 0.11 0.02 -0.26 0.00 0.02 0.00 0.00 56.10 56.00 1pun s TRP 85 Cb -0.16 -2.35 0.02 0.00 -1.15 0.00 0.00 33.47 29.84 1pun s TRP 85 CO 0.10 -0.19 1.46 -1.17 0.02 0.00 0.00 176.95 177.17 1pun s LEU 86 N 1.69 3.27 0.39 2.99 1.98 0.41 -3.23 118.68 126.19 1pun s LEU 86 Ca 0.07 -0.60 -0.24 0.00 -2.89 0.00 0.00 54.13 50.46 1pun s LEU 86 Cb -0.16 -2.56 -0.09 0.00 0.66 0.00 0.00 46.19 44.05 1pun s LEU 86 CO 0.09 -1.90 1.08 -0.69 -1.89 0.00 0.00 176.35 173.04 1pun s VAL 87 N 6.37 3.58 -0.06 1.68 1.01 -1.12 -4.00 120.40 127.86 1pun s VAL 87 Ca 0.45 1.25 0.05 0.00 0.00 0.00 0.00 61.98 63.73 1pun s VAL 87 Cb -0.07 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1pun s VAL 87 CO 0.08 0.05 0.02 -1.84 0.00 0.00 0.00 175.10 173.40 1pun n GLU 88 N 0.01 2.84 -3.64 2.72 0.28 -0.44 -3.65 120.64 118.75 1pun n GLU 88 Ca 0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.97 1pun n GLU 88 Cb 0.49 -1.15 -0.02 0.00 1.43 0.00 0.00 31.44 32.18 1pun n GLU 88 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1pun s ARG 89 N -2.15 1.28 -0.15 3.44 6.06 0.49 -4.13 118.95 123.80 1pun s ARG 89 Ca -0.03 -0.62 -0.07 0.00 -2.50 0.00 0.00 55.73 52.51 1pun s ARG 89 Cb 0.02 0.49 0.06 0.00 0.06 0.00 0.00 34.95 35.58 1pun s ARG 89 CO 0.24 -0.58 0.34 1.67 -2.50 0.00 0.00 175.30 174.48 1pun s TRP 90 N -3.52 -0.51 0.36 5.12 -2.14 -1.21 0.10 118.94 117.16 1pun s TRP 90 Ca 0.08 1.10 -0.25 0.00 2.66 0.00 0.00 56.10 59.69 1pun s TRP 90 Cb -0.02 0.17 -0.10 0.00 -3.10 0.00 0.00 33.47 30.42 1pun s TRP 90 CO -0.03 -0.32 0.99 -2.00 -2.66 0.00 0.00 176.95 172.94 1pun s GLU 91 N 1.52 4.38 7.21 3.25 -6.30 -1.17 -4.81 118.70 122.79 1pun s GLU 91 Ca -0.08 1.39 0.00 0.00 -2.50 0.00 0.00 54.97 53.78 1pun s GLU 91 Cb -0.10 -2.64 0.00 0.00 0.00 0.00 0.00 34.13 31.39 1pun s GLU 91 CO -0.11 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.66 1pun n GLY 92 N 0.36 3.81 3.25 -1.50 0.00 -1.26 -4.59 105.19 105.25 1pun n GLY 92 Ca 0.04 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1pun n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pun s GLU 93 N 0.00 1.84 0.02 1.61 2.12 -1.26 -5.12 118.70 117.91 1pun s GLU 93 Ca 0.00 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 1pun s GLU 93 Cb 0.00 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 1pun s GLU 93 CO 0.00 0.49 1.14 -2.14 -0.54 0.00 0.00 175.26 174.20 1pun s PRO 94 N -0.53 4.45 0.16 4.30 0.02 -1.26 -4.69 135.00 137.44 1pun s PRO 94 Ca 0.09 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1pun s PRO 94 Cb -0.09 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1pun s PRO 94 CO -0.01 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.75 1pun n TRP 95 N 4.19 -1.23 0.00 6.54 4.27 0.02 -5.03 117.44 126.20 1pun n TRP 95 Ca 0.09 0.22 0.00 0.00 -3.89 0.00 0.00 57.50 53.91 1pun n TRP 95 Cb 0.48 0.40 0.00 0.00 -1.36 0.00 0.00 31.31 30.83 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 2.08 0.56 0.00 -1.67 0.00 0.31 -3.83 105.19 102.64 1pun n GLY 96 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1pun n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pun n LYS 97 N 0.00 0.00 -0.35 1.61 4.81 0.39 -4.67 118.16 119.95 1pun n LYS 97 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1pun n LYS 97 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.18 1pun n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1pun h GLU 98 N 0.00 1.17 0.00 1.64 4.11 -1.71 -3.45 114.58 116.34 1pun h GLU 98 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1pun h GLU 98 Cb 0.00 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.99 1pun h GLU 98 CO 0.00 0.78 0.00 0.41 0.07 0.00 0.00 179.01 180.27 1pun n GLY 99 N -1.36 2.70 3.34 1.06 0.00 -1.26 -5.02 105.19 104.64 1pun n GLY 99 Ca 0.12 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1pun n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pun s GLN 100 N 0.00 2.78 0.45 1.61 0.74 -1.26 -5.02 119.66 118.95 1pun s GLN 100 Ca 0.00 -1.34 -0.22 0.00 0.05 0.00 0.00 55.36 53.85 1pun s GLN 100 Cb 0.00 -3.90 -0.12 0.00 1.10 0.00 0.00 33.01 30.09 1pun s GLN 100 CO 0.00 -0.93 0.59 -2.30 -0.55 0.00 0.00 175.29 172.10 1pun n PRO 101 N 5.04 0.64 -4.41 1.67 -0.02 -1.26 -4.40 135.00 132.26 1pun n PRO 101 Ca -0.11 0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.38 1pun n PRO 101 Cb 0.44 -1.59 -0.08 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.96 2.39 -0.06 -1.23 0.00 -1.26 -2.91 107.32 103.28 1pun s GLY 102 Ca 0.64 -1.60 -0.09 0.00 0.00 0.00 0.00 44.72 43.67 1pun s GLY 102 CO 0.57 -1.67 0.24 -0.54 0.00 0.00 0.00 173.10 171.70 1pun s GLU 103 N -3.67 0.39 -0.32 2.90 0.41 -0.87 -4.89 118.70 112.65 1pun s GLU 103 Ca 0.31 0.12 -0.28 0.00 -0.41 0.00 0.00 54.97 54.72 1pun s GLU 103 Cb 0.03 0.18 -0.06 0.00 -1.78 0.00 0.00 34.13 32.50 1pun s GLU 103 CO 0.19 -0.07 2.29 0.91 -0.49 0.00 0.00 175.26 178.08 1pun n TRP 104 N 2.40 1.76 -4.51 1.61 8.01 -1.26 -2.96 117.44 122.49 1pun n TRP 104 Ca -0.16 -0.02 -0.25 0.00 -1.31 0.00 0.00 57.50 55.76 1pun n TRP 104 Cb 0.57 -2.68 -0.10 0.00 -2.01 0.00 0.00 31.31 27.09 1pun n TRP 104 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1pun s MET 105 N 6.94 1.80 -0.23 -0.99 -1.94 -1.08 -4.84 119.30 118.95 1pun s MET 105 Ca 1.01 -1.88 -0.22 0.00 -1.71 0.00 0.00 55.69 52.89 1pun s MET 105 Cb -0.34 -1.74 -0.01 0.00 2.01 0.00 0.00 34.83 34.75 1pun s MET 105 CO 0.34 0.19 0.72 -1.54 -0.01 0.00 0.00 175.02 174.72 1pun s SER 106 N -3.59 6.72 0.41 3.03 1.04 -1.26 0.16 113.70 120.21 1pun s SER 106 Ca 0.32 0.89 0.27 0.00 0.48 0.00 0.00 55.95 57.90 1pun s SER 106 Cb 0.00 -2.38 0.79 0.00 0.10 0.00 0.00 66.02 64.53 1pun s SER 106 CO 0.16 -0.41 1.76 0.25 0.98 0.00 0.00 173.24 175.98 1pun h LEU 107 N 8.84 0.00 -1.69 2.42 7.12 -1.90 -3.25 115.31 126.86 1pun h LEU 107 Ca -0.26 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.75 1pun h LEU 107 Cb 1.12 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1pun h LEU 107 CO 0.81 0.00 0.44 1.62 -0.13 0.00 0.00 178.44 181.19 1pun h VAL 108 N 0.00 0.01 -1.11 1.05 3.04 -1.92 -2.77 116.25 114.56 1pun h VAL 108 Ca 0.00 0.00 -0.37 0.00 -1.01 0.00 0.00 66.70 65.32 1pun h VAL 108 Cb 0.74 0.56 -0.30 0.00 -2.01 0.00 0.00 31.29 30.29 1pun h VAL 108 CO 0.00 0.00 -0.88 0.61 -1.01 0.00 0.00 177.57 176.29 1pun n GLY 109 N -1.27 2.26 3.73 3.17 0.00 -1.23 -5.13 105.19 106.73 1pun n GLY 109 Ca -0.01 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.45 3.54 -0.27 0.99 0.20 -1.05 -5.00 118.68 114.64 1pun s LEU 110 Ca 0.32 2.50 -0.03 0.00 0.69 0.00 0.00 54.13 57.61 1pun s LEU 110 Cb 0.34 -4.61 0.02 0.00 -0.43 0.00 0.00 46.19 41.51 1pun s LEU 110 CO -0.06 -1.95 -0.01 0.20 -0.29 0.00 0.00 176.35 174.24 1pun s ASN 111 N -1.58 4.65 0.28 3.68 0.01 -1.26 -4.96 114.94 115.76 1pun s ASN 111 Ca 0.79 -0.88 0.25 0.00 -0.71 0.00 0.00 52.86 52.32 1pun s ASN 111 Cb -0.34 -1.74 0.98 0.00 0.41 0.00 0.00 41.25 40.56 1pun s ASN 111 CO 0.39 -0.17 1.75 0.00 -1.51 0.00 0.00 177.10 177.56 1pun h ALA 112 N 8.08 1.00 -0.00 0.60 0.00 -1.95 -3.00 119.26 123.99 1pun h ALA 112 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1pun h ALA 112 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1pun h ALA 112 CO 0.58 0.00 -0.10 0.38 0.00 0.00 0.00 179.25 180.11 1pun h ASP 113 N 0.00 0.09 0.80 0.00 2.03 -1.96 -3.22 116.42 114.15 1pun h ASP 113 Ca 0.00 -0.77 0.00 0.00 -0.73 0.00 0.00 57.03 55.53 1pun h ASP 113 Cb 0.46 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 1pun h ASP 113 CO 0.00 0.85 0.00 0.47 -1.03 0.00 0.00 179.24 179.53 1pun n ASP 114 N -4.64 0.54 -4.75 4.15 8.00 -1.20 -4.73 116.55 113.93 1pun n ASP 114 Ca -0.09 0.62 -0.30 0.00 0.71 0.00 0.00 54.79 55.73 1pun n ASP 114 Cb 0.43 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 1pun n ASP 114 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1pun s PHE 115 N -3.22 3.12 0.17 1.24 -0.71 -1.14 0.11 117.98 117.54 1pun s PHE 115 Ca 0.06 0.03 -0.34 0.00 -1.04 0.00 0.00 56.93 55.64 1pun s PHE 115 Cb 0.10 -1.58 -0.14 0.00 -1.21 0.00 0.00 43.02 40.20 1pun s PHE 115 CO 0.40 0.51 1.60 -0.35 -1.34 0.00 0.00 175.22 176.04 1pun n PRO 116 N 0.37 2.24 0.22 1.99 -0.04 -1.20 -4.78 135.00 133.80 1pun n PRO 116 Ca -0.09 0.81 0.15 0.00 -0.04 0.00 0.00 63.50 64.33 1pun n PRO 116 Cb 0.52 -2.59 0.73 0.00 -0.04 0.00 0.00 33.50 32.12 1pun n PRO 116 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1pun h PRO 117 N 6.03 0.00 0.00 0.54 0.13 -1.89 -2.22 132.00 134.60 1pun h PRO 117 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pun h PRO 117 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pun h PRO 117 CO 0.90 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.65 1pun h ALA 118 N 2.08 1.10 -0.30 -0.56 0.00 -1.98 -0.34 119.26 119.26 1pun h ALA 118 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pun h ALA 118 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pun h ALA 118 CO 0.00 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.36 1pun n ASN 119 N -3.24 3.02 0.13 0.00 4.13 -0.83 -4.63 115.26 113.83 1pun n ASN 119 Ca -0.02 -2.19 0.02 0.00 1.68 0.00 0.00 54.58 54.07 1pun n ASN 119 Cb 0.14 -0.27 0.36 0.00 -1.54 0.00 0.00 39.78 38.48 1pun n ASN 119 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1pun h GLU 120 N 1.82 0.19 -0.91 3.52 -0.00 -1.10 -3.25 114.58 114.84 1pun h GLU 120 Ca 0.00 -0.05 0.26 0.00 -0.00 0.00 0.00 59.36 59.56 1pun h GLU 120 Cb 0.84 -0.02 -0.15 0.00 -0.00 0.00 0.00 28.75 29.42 1pun h GLU 120 CO 0.04 0.41 0.28 -1.35 -0.00 0.00 0.00 179.01 178.38 1pun h PRO 121 N 0.17 0.20 0.02 1.06 0.11 -1.82 2.30 132.00 134.04 1pun h PRO 121 Ca 0.03 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1pun h PRO 121 Cb 0.49 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1pun h PRO 121 CO 0.03 0.13 -0.01 0.28 -0.21 0.00 0.00 178.00 178.23 1pun h VAL 122 N 0.21 1.01 0.00 3.15 2.07 -1.95 -3.34 116.25 117.40 1pun h VAL 122 Ca 0.59 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1pun h VAL 122 Cb 1.24 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1pun h VAL 122 CO -0.67 0.34 -0.18 0.40 0.02 0.00 0.00 177.57 177.48 1pun h ILE 123 N -0.98 0.74 -0.52 4.57 1.08 -1.55 -2.82 117.51 118.03 1pun h ILE 123 Ca -0.00 -0.72 0.08 0.00 -0.39 0.00 0.00 64.86 63.83 1pun h ILE 123 Cb 0.57 1.44 -0.07 0.00 -3.07 0.00 0.00 36.82 35.69 1pun h ILE 123 CO 0.00 0.17 0.16 0.00 -0.69 0.00 0.00 178.15 177.79 1pun h ALA 124 N 1.82 0.63 0.04 1.87 0.00 0.37 1.97 119.26 125.97 1pun h ALA 124 Ca -0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1pun h ALA 124 Cb 0.42 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1pun h ALA 124 CO 0.02 -0.25 -0.24 -0.22 0.00 0.00 0.00 179.25 178.57 1pun h LYS 125 N 0.32 -0.38 0.06 0.00 1.63 -1.62 -1.18 116.57 115.39 1pun h LYS 125 Ca 0.26 0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.99 1pun h LYS 125 Cb 0.32 0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1pun h LYS 125 CO -0.29 -0.25 -0.40 -0.07 -3.45 0.00 0.00 179.45 174.99 1pun h LEU 126 N -0.39 0.25 -1.04 5.20 -0.00 -1.57 -3.34 115.31 114.42 1pun h LEU 126 Ca 0.05 -0.93 0.22 0.00 -0.00 0.00 0.00 57.88 57.21 1pun h LEU 126 Cb 0.45 -0.08 -0.11 0.00 -0.00 0.00 0.00 40.66 40.92 1pun h LEU 126 CO -0.19 1.16 0.61 0.50 -0.00 0.00 0.00 178.44 180.52 1pun h LYS 127 N -0.62 0.65 0.00 1.13 3.64 0.31 1.77 116.57 123.45 1pun h LYS 127 Ca -0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1pun h LYS 127 Cb 1.27 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1pun h LYS 127 CO 0.08 0.43 0.00 -2.13 -2.27 0.00 0.00 179.45 175.56 1pun n ARG 128 N -4.80 0.05 -0.09 1.90 0.63 -0.45 -5.04 116.66 108.87 1pun n ARG 128 Ca 0.25 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1pun n ARG 128 Cb 0.66 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.92 1pun n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40