#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 3.28 -0.01 0.03 2.20 -1.18 -4.99 119.74 119.08 1pun s LYS 2 Ca 0.00 -0.25 -0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1pun s LYS 2 Cb 0.00 -4.12 0.01 0.00 -1.51 0.00 0.00 37.83 32.21 1pun s LYS 2 CO 0.00 -1.82 0.01 -1.59 -0.36 0.00 0.00 175.35 171.60 1pun s LYS 3 N 4.80 0.00 -0.13 4.03 0.00 -1.26 0.89 119.74 128.07 1pun s LYS 3 Ca 0.33 0.05 -0.05 0.00 0.00 0.00 0.00 55.97 56.29 1pun s LYS 3 Cb -0.11 -0.04 0.06 0.00 0.00 0.00 0.00 37.83 37.74 1pun s LYS 3 CO 0.17 -0.03 0.28 -0.48 0.00 0.00 0.00 175.35 175.29 1pun s LEU 4 N 0.20 -0.08 0.22 2.77 0.05 0.25 -4.95 118.68 117.14 1pun s LEU 4 Ca -0.02 0.62 0.05 0.00 0.05 0.00 0.00 54.13 54.84 1pun s LEU 4 Cb -0.02 0.80 -0.03 0.00 -2.05 0.00 0.00 46.19 44.89 1pun s LEU 4 CO -0.01 -0.21 0.28 -1.10 -0.55 0.00 0.00 176.35 174.76 1pun s GLN 5 N 1.99 3.24 -0.09 1.48 -0.21 -1.26 -1.52 119.66 123.28 1pun s GLN 5 Ca -0.03 -0.83 -0.08 0.00 0.02 0.00 0.00 55.36 54.44 1pun s GLN 5 Cb -0.11 -2.78 0.02 0.00 1.00 0.00 0.00 33.01 31.14 1pun s GLN 5 CO -0.09 0.44 0.23 0.42 -2.12 0.00 0.00 175.29 174.16 1pun s ILE 6 N -1.97 -0.00 -0.10 1.08 1.09 0.49 -3.87 121.20 117.92 1pun s ILE 6 Ca 0.33 0.01 0.01 0.00 -1.10 0.00 0.00 60.65 59.91 1pun s ILE 6 Cb -0.09 -0.32 0.02 0.00 -1.06 0.00 0.00 42.46 41.00 1pun s ILE 6 CO 0.27 0.00 -0.12 0.00 -0.10 0.00 0.00 174.94 175.00 1pun s ALA 7 N 0.19 1.45 0.09 9.38 0.00 -1.23 0.65 121.76 132.29 1pun s ALA 7 Ca -0.01 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.41 1pun s ALA 7 Cb -0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.28 1pun s ALA 7 CO -0.00 -0.14 -0.10 0.14 0.00 0.00 0.00 175.76 175.66 1pun s VAL 8 N 1.13 0.93 -0.08 0.00 -7.23 0.33 -3.66 120.40 111.82 1pun s VAL 8 Ca -0.05 -1.59 -0.07 0.00 -1.81 0.00 0.00 61.98 58.46 1pun s VAL 8 Cb -0.14 -1.31 0.03 0.00 0.56 0.00 0.00 36.38 35.52 1pun s VAL 8 CO -0.02 -0.53 0.21 -0.83 -0.31 0.00 0.00 175.10 173.62 1pun s GLY 9 N -2.36 -0.15 -0.27 2.32 0.00 -0.86 0.14 107.32 106.14 1pun s GLY 9 Ca 0.04 0.67 -0.26 0.00 0.00 0.00 0.00 44.72 45.18 1pun s GLY 9 CO 0.00 0.68 0.90 -0.26 0.00 0.00 0.00 173.10 174.41 1pun s ILE 10 N 0.39 4.75 -0.47 0.90 -4.36 -1.21 -3.74 121.20 117.46 1pun s ILE 10 Ca -0.02 1.60 -0.25 0.00 -0.26 0.00 0.00 60.65 61.71 1pun s ILE 10 Cb -0.04 -4.21 0.03 0.00 1.25 0.00 0.00 42.46 39.50 1pun s ILE 10 CO -0.02 -0.20 0.90 -0.51 0.24 0.00 0.00 174.94 175.36 1pun s ILE 11 N 3.06 4.50 0.44 8.37 2.07 -1.26 -2.69 121.20 135.69 1pun s ILE 11 Ca 0.38 0.64 -0.16 0.00 -1.41 0.00 0.00 60.65 60.09 1pun s ILE 11 Cb -0.14 -4.42 -0.09 0.00 0.13 0.00 0.00 42.46 37.94 1pun s ILE 11 CO 0.09 -0.84 0.89 -0.13 -1.91 0.00 0.00 174.94 173.05 1pun s ARG 12 N 3.68 4.00 0.13 3.50 1.81 -1.25 -0.26 118.95 130.57 1pun s ARG 12 Ca 0.35 0.86 0.02 0.00 -1.72 0.00 0.00 55.73 55.24 1pun s ARG 12 Cb -0.11 -2.25 -0.01 0.00 -0.45 0.00 0.00 34.95 32.14 1pun s ARG 12 CO 0.25 -0.09 0.06 0.27 -0.68 0.00 0.00 175.30 175.11 1pun n ASN 13 N -1.06 0.82 0.04 0.23 6.94 -0.85 -2.90 115.26 118.48 1pun n ASN 13 Ca 0.05 -1.74 -0.13 0.00 -0.02 0.00 0.00 54.58 52.75 1pun n ASN 13 Cb 0.54 0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 38.28 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 -0.51 0.00 -3.83 4.22 -1.88 -0.72 114.58 111.86 1pun h GLU 14 Ca -0.10 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1pun h GLU 14 Cb 0.41 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1pun h GLU 14 CO 0.16 -0.34 0.02 -1.71 -2.18 0.00 0.00 179.01 174.96 1pun n ASN 15 N -5.44 0.00 0.00 1.04 5.15 -1.26 -4.78 115.26 109.97 1pun n ASN 15 Ca -0.05 0.46 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1pun n ASN 15 Cb 0.36 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 1pun n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1pun n ASN 16 N -1.46 -1.94 -4.83 1.20 6.94 -0.28 -5.03 115.26 109.85 1pun n ASN 16 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.22 1pun n ASN 16 Cb 0.02 -0.32 -0.06 0.00 -2.36 0.00 0.00 39.78 37.06 1pun n ASN 16 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1pun s GLU 17 N -0.16 3.24 -0.31 -3.83 2.02 -1.26 -4.63 118.70 113.77 1pun s GLU 17 Ca 0.00 -0.38 -0.10 0.00 0.02 0.00 0.00 54.97 54.51 1pun s GLU 17 Cb 0.00 -2.98 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 1pun s GLU 17 CO 0.00 0.68 0.16 -1.50 0.02 0.00 0.00 175.26 174.62 1pun s ILE 18 N -1.20 4.74 -0.35 -1.63 -1.16 0.38 -2.00 121.20 119.98 1pun s ILE 18 Ca 0.23 -0.31 -0.27 0.00 -0.51 0.00 0.00 60.65 59.78 1pun s ILE 18 Cb -0.12 -3.39 -0.05 0.00 0.61 0.00 0.00 42.46 39.51 1pun s ILE 18 CO 0.14 0.10 2.19 0.12 -2.81 0.00 0.00 174.94 174.67 1pun s PHE 19 N 1.64 1.27 0.26 3.50 5.36 0.64 -3.07 117.98 127.59 1pun s PHE 19 Ca 0.05 0.90 0.11 0.00 -0.96 0.00 0.00 56.93 57.03 1pun s PHE 19 Cb -0.17 -3.86 -0.05 0.00 -0.34 0.00 0.00 43.02 38.61 1pun s PHE 19 CO 0.07 -3.28 -0.14 0.96 -1.46 0.00 0.00 175.22 171.37 1pun s ILE 20 N 9.41 2.80 0.63 3.12 -4.36 -1.22 -4.17 121.20 127.40 1pun s ILE 20 Ca 0.94 -2.18 -0.16 0.00 -0.26 0.00 0.00 60.65 58.99 1pun s ILE 20 Cb -0.25 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 40.99 1pun s ILE 20 CO 0.31 -0.35 1.10 0.42 0.24 0.00 0.00 174.94 176.66 1pun s THR 21 N -2.33 3.33 -0.33 8.37 -4.23 0.11 -3.10 115.64 117.46 1pun s THR 21 Ca 0.29 0.65 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 1pun s THR 21 Cb -0.06 -3.18 0.15 0.00 1.34 0.00 0.00 72.50 70.75 1pun s THR 21 CO 0.16 -0.35 0.35 -0.60 -0.54 0.00 0.00 174.62 173.64 1pun s ARG 22 N -3.96 0.48 0.00 3.99 3.52 -1.24 -3.98 118.95 117.76 1pun s ARG 22 Ca 0.67 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 1pun s ARG 22 Cb -0.20 -0.64 0.00 0.00 -1.56 0.00 0.00 34.95 32.55 1pun s ARG 22 CO 0.38 -1.11 0.00 0.54 -0.81 0.00 0.00 175.30 174.31 1pun n ARG 23 N 4.83 -1.58 -1.06 5.12 1.74 -1.25 -2.55 116.66 121.91 1pun n ARG 23 Ca 0.04 0.40 -0.02 0.00 -0.77 0.00 0.00 57.85 57.50 1pun n ARG 23 Cb 0.46 -4.61 -0.01 0.00 -1.02 0.00 0.00 32.46 27.29 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 1.00 -0.03 -2.53 7.54 0.00 -1.26 -3.19 120.51 122.04 1pun n ALA 24 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 1pun n ALA 24 Cb 0.40 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.04 -0.94 -1.27 0.00 0.00 -1.06 -4.45 120.51 113.82 1pun n ALA 25 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1pun n ALA 25 Cb 0.44 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.61 0.11 -2.79 0.00 9.92 -1.19 -5.08 116.55 115.91 1pun n ASP 26 Ca -0.04 -1.37 -0.03 0.00 -0.53 0.00 0.00 54.79 52.82 1pun n ASP 26 Cb 0.53 -0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 40.91 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 -0.04 -2.80 0.01 2.24 0.00 -1.24 -4.97 120.51 113.71 1pun n ALA 27 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 53.44 54.86 1pun n ALA 27 Cb 0.55 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 17.05 1pun n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1pun n HIS 28 N 1.85 -0.93 -3.88 0.00 -0.00 -1.26 -5.06 115.22 105.93 1pun n HIS 28 Ca -0.24 0.06 -0.31 0.00 -0.00 0.00 0.00 57.72 57.23 1pun n HIS 28 Cb 0.40 0.29 -0.12 0.00 -0.00 0.00 0.00 29.99 30.56 1pun n HIS 28 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1pun s MET 29 N -1.14 2.27 0.57 1.57 0.00 -1.26 -4.91 119.30 116.40 1pun s MET 29 Ca 0.00 -2.81 0.36 0.00 0.00 0.00 0.00 55.69 53.24 1pun s MET 29 Cb 0.00 -3.45 1.58 0.00 0.00 0.00 0.00 34.83 32.95 1pun s MET 29 CO 0.00 -1.17 2.06 0.00 0.00 0.00 0.00 175.02 175.91 1pun h ALA 30 N 6.32 1.00 -0.78 4.11 0.00 -1.91 -2.69 119.26 125.32 1pun h ALA 30 Ca -0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.48 1pun h ALA 30 Cb 0.87 -0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.42 1pun h ALA 30 CO 0.71 0.00 0.53 0.09 0.00 0.00 0.00 179.25 180.58 1pun n ASN 31 N -3.09 4.02 -0.93 0.00 5.03 -1.24 -4.25 115.26 114.80 1pun n ASN 31 Ca -0.00 -3.28 0.01 0.00 0.87 0.00 0.00 54.58 52.19 1pun n ASN 31 Cb 0.26 -0.79 0.21 0.00 -1.02 0.00 0.00 39.78 38.44 1pun n ASN 31 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1pun n LYS 32 N -0.73 2.04 -0.51 3.52 3.00 -0.82 -1.32 118.16 123.33 1pun n LYS 32 Ca 0.47 -3.04 -0.23 0.00 -0.00 0.00 0.00 58.31 55.51 1pun n LYS 32 Cb 1.32 -1.77 -0.04 0.00 0.00 0.00 0.00 35.03 34.54 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 -1.00 2.33 -4.91 3.14 0.00 0.58 -4.62 117.00 112.51 1pun n LEU 33 Ca 0.27 -1.97 -0.25 0.00 0.00 0.00 0.00 56.01 54.06 1pun n LEU 33 Cb 0.93 -0.78 -0.00 0.00 0.00 0.00 0.00 43.42 43.57 1pun n LEU 33 CO 0.14 -0.71 0.07 -0.70 0.00 0.00 0.00 177.39 176.20 1pun s GLU 34 N 4.94 2.30 0.39 1.96 2.56 -1.26 -4.24 118.70 125.35 1pun s GLU 34 Ca 0.35 -1.90 0.08 0.00 0.00 0.00 0.00 54.97 53.49 1pun s GLU 34 Cb 0.08 -2.20 -0.07 0.00 2.00 0.00 0.00 34.13 33.94 1pun s GLU 34 CO 0.08 -0.58 -0.01 -0.59 -0.56 0.00 0.00 175.26 173.60 1pun s PHE 35 N -2.72 2.49 1.05 5.30 -0.12 -1.26 -0.72 117.98 122.01 1pun s PHE 35 Ca 0.40 -0.61 -0.21 0.00 -0.05 0.00 0.00 56.93 56.46 1pun s PHE 35 Cb -0.03 -1.66 -0.02 0.00 -0.63 0.00 0.00 43.02 40.68 1pun s PHE 35 CO 0.24 0.48 -0.51 -0.35 -0.05 0.00 0.00 175.22 175.04 1pun n PRO 36 N -0.93 -0.78 0.00 1.99 -0.04 -1.25 -4.62 135.00 129.38 1pun n PRO 36 Ca -0.05 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1pun n PRO 36 Cb 0.66 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.85 2.84 0.55 0.00 -1.24 -2.03 105.19 108.72 1pun n GLY 37 Ca 0.00 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.81 0.70 0.00 -0.02 0.00 -1.24 -3.54 107.32 101.41 1pun s GLY 38 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1pun s GLY 38 CO 0.00 1.00 0.00 1.17 0.00 0.00 0.00 173.10 175.27 1pun n LYS 39 N 5.02 0.00 0.06 2.90 4.81 -1.26 -4.98 118.16 124.71 1pun n LYS 39 Ca -0.10 0.08 -0.06 0.00 -0.87 0.00 0.00 58.31 57.36 1pun n LYS 39 Cb 0.49 -0.91 0.12 0.00 0.02 0.00 0.00 35.03 34.76 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 -1.83 -3.36 117.51 119.89 1pun h ILE 40 Ca 0.00 -1.85 0.00 0.00 1.55 0.00 0.00 64.86 64.56 1pun h ILE 40 Cb 0.07 1.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 1pun h ILE 40 CO 0.00 0.56 0.00 -1.84 -1.05 0.00 0.00 178.15 175.82 1pun n GLU 41 N -3.92 0.00 0.00 0.16 0.28 -1.25 -4.37 120.64 111.53 1pun n GLU 41 Ca -0.02 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 1pun n GLU 41 Cb 0.59 -0.71 0.00 0.00 1.43 0.00 0.00 31.44 32.75 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 -0.37 0.00 -0.64 3.44 2.81 -1.26 -2.61 117.12 118.49 1pun n MET 42 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.86 1pun n MET 42 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 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 0.20 0.00 3.03 0.00 -1.26 -5.10 105.19 102.06 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 0.00 0.95 -3.45 1.61 4.71 -1.07 -5.08 120.64 118.30 1pun n GLU 44 Ca -0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.84 1pun n GLU 44 Cb 0.44 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.86 1pun n GLU 44 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1pun s THR 45 N 0.16 4.30 0.53 2.62 -4.23 -1.26 -4.77 115.64 112.99 1pun s THR 45 Ca 0.00 -0.87 0.37 0.00 -1.18 0.00 0.00 61.69 60.01 1pun s THR 45 Cb 0.00 -3.52 0.57 0.00 1.34 0.00 0.00 72.50 70.89 1pun s THR 45 CO 0.00 -0.24 1.77 1.55 -0.54 0.00 0.00 174.62 177.16 1pun h PRO 46 N 0.83 0.03 0.00 3.99 0.13 -1.99 0.37 132.00 135.37 1pun h PRO 46 Ca -0.47 -0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 1pun h PRO 46 Cb 1.25 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1pun h PRO 46 CO 0.55 0.02 -2.15 0.39 -0.23 0.00 0.00 178.00 176.58 1pun n GLU 47 N -4.19 0.48 0.00 0.86 -0.58 -1.26 -4.50 120.64 111.45 1pun n GLU 47 Ca 0.28 0.15 0.10 0.00 -0.42 0.00 0.00 57.16 57.28 1pun n GLU 47 Cb 1.33 -1.34 0.56 0.00 -0.57 0.00 0.00 31.44 31.43 1pun n GLU 47 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1pun n GLN 48 N -3.43 0.43 -0.07 3.49 -0.06 -0.96 -1.92 117.38 114.87 1pun n GLN 48 Ca -0.38 0.06 -0.10 0.00 -2.00 0.00 0.00 57.00 54.58 1pun n GLN 48 Cb 0.84 -1.50 -0.08 0.00 -4.06 0.00 0.00 30.24 25.44 1pun n GLN 48 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pun h ALA 49 N 3.11 0.01 0.05 1.69 0.00 -0.50 -3.32 119.26 120.31 1pun h ALA 49 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.31 1pun h ALA 49 Cb 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1pun h ALA 49 CO 0.00 0.05 -1.04 -0.24 0.00 0.00 0.00 179.25 178.02 1pun h VAL 50 N -1.00 1.55 -0.95 0.00 3.04 -1.78 -3.25 116.25 113.86 1pun h VAL 50 Ca -0.02 -2.97 0.22 0.00 -1.01 0.00 0.00 66.70 62.92 1pun h VAL 50 Cb 0.67 2.73 -0.08 0.00 -2.01 0.00 0.00 31.29 32.61 1pun h VAL 50 CO -0.01 0.86 0.62 0.58 -1.01 0.00 0.00 177.57 178.61 1pun h VAL 51 N 0.07 0.64 -0.01 1.51 2.07 -1.55 1.62 116.25 120.61 1pun h VAL 51 Ca -0.07 -0.15 -0.17 0.00 0.82 0.00 0.00 66.70 67.13 1pun h VAL 51 Cb 1.74 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1pun h VAL 51 CO 0.16 0.08 -0.79 -0.09 0.02 0.00 0.00 177.57 176.95 1pun h ARG 52 N 0.42 0.09 0.03 1.57 2.43 -1.65 -3.03 114.38 114.24 1pun h ARG 52 Ca 0.51 -0.09 -0.22 0.00 -0.81 0.00 0.00 59.98 59.37 1pun h ARG 52 Cb 1.25 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1pun h ARG 52 CO -0.21 0.83 -1.00 1.49 -1.51 0.00 0.00 179.97 179.57 1pun h GLU 53 N 0.06 0.10 -0.57 0.20 4.57 -0.18 -2.64 114.58 116.11 1pun h GLU 53 Ca -0.02 -0.15 0.12 0.00 -1.18 0.00 0.00 59.36 58.13 1pun h GLU 53 Cb 1.38 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.91 1pun h GLU 53 CO 0.11 1.01 -0.10 1.25 -1.18 0.00 0.00 179.01 180.10 1pun h LEU 54 N 0.04 -0.45 -0.20 1.64 5.85 0.22 1.85 115.31 124.26 1pun h LEU 54 Ca -0.04 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1pun h LEU 54 Cb 1.71 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 43.04 1pun h LEU 54 CO 0.14 -0.17 -0.77 -0.61 -0.34 0.00 0.00 178.44 176.69 1pun h GLN 55 N 0.03 0.00 0.00 1.25 4.15 -1.61 -1.68 115.11 117.25 1pun h GLN 55 Ca 0.28 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.57 1pun h GLN 55 Cb 0.44 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1pun h GLN 55 CO -0.56 0.77 -0.64 1.49 -1.93 0.00 0.00 178.83 177.96 1pun h GLU 56 N 0.00 0.00 -0.23 1.69 4.81 -0.45 0.74 114.58 121.14 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 1.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.89 1pun h GLU 56 CO 0.10 0.64 0.00 0.39 -0.73 0.00 0.00 179.01 179.41 1pun n GLU 57 N -3.42 1.91 0.00 1.92 -0.58 0.60 0.14 120.64 121.21 1pun n GLU 57 Ca 0.00 -1.77 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 1pun n GLU 57 Cb 0.73 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 1pun n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1pun n VAL 58 N 0.79 0.00 0.00 2.62 0.31 -0.64 -3.94 118.33 117.48 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 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 1.99 0.54 3.86 2.92 0.00 0.26 0.13 105.19 114.89 1pun n GLY 59 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pun n GLY 59 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pun s ILE 60 N 0.00 1.90 -0.76 -0.61 1.10 -1.26 -4.83 121.20 116.73 1pun s ILE 60 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 60.65 60.06 1pun s ILE 60 Cb 0.00 -2.89 0.20 0.00 0.15 0.00 0.00 42.46 39.92 1pun s ILE 60 CO 0.00 0.00 0.64 0.42 -2.11 0.00 0.00 174.94 173.89 1pun s THR 61 N -3.73 4.70 0.14 4.00 -4.23 -1.26 -4.89 115.64 110.36 1pun s THR 61 Ca 0.75 -2.86 0.07 0.00 -1.18 0.00 0.00 61.69 58.47 1pun s THR 61 Cb -0.04 -3.95 -0.04 0.00 1.34 0.00 0.00 72.50 69.81 1pun s THR 61 CO 0.54 -0.98 -0.01 -2.16 -0.54 0.00 0.00 174.62 171.47 1pun s PRO 62 N -0.14 2.40 -1.23 3.99 0.04 -1.26 -2.90 135.00 135.89 1pun s PRO 62 Ca 0.19 -1.03 -0.20 0.00 0.04 0.00 0.00 61.00 60.00 1pun s PRO 62 Cb -0.14 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 1pun s PRO 62 CO -0.07 0.48 1.85 1.04 0.04 0.00 0.00 177.00 180.35 1pun n GLN 63 N 0.16 2.37 -4.62 4.56 6.02 0.46 -4.84 117.38 121.50 1pun n GLN 63 Ca -0.10 -2.83 -0.27 0.00 -0.01 0.00 0.00 57.00 53.79 1pun n GLN 63 Cb 0.54 -3.59 -0.17 0.00 1.02 0.00 0.00 30.24 28.05 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 7.49 1.78 -1.70 1.08 2.46 -1.23 0.16 115.29 125.33 1pun s HIS 64 Ca 0.61 -0.74 0.00 0.00 0.47 0.00 0.00 55.06 55.40 1pun s HIS 64 Cb 0.02 -1.28 0.00 0.00 -0.13 0.00 0.00 32.58 31.20 1pun s HIS 64 CO 0.10 -0.37 0.00 0.34 -2.47 0.00 0.00 174.74 172.35 1pun n PHE 65 N 3.93 0.00 -0.69 3.88 7.35 -1.25 -4.93 117.46 125.74 1pun n PHE 65 Ca -0.21 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.57 1pun n PHE 65 Cb 0.52 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.30 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 0.80 -3.84 -4.07 -2.13 2.88 -1.26 -2.65 113.62 103.35 1pun n SER 66 Ca 0.00 0.67 -0.32 0.00 -1.33 0.00 0.00 58.87 57.89 1pun n SER 66 Cb 0.00 -2.37 -0.16 0.00 -0.75 0.00 0.00 64.21 60.93 1pun n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1pun s LEU 67 N -5.67 2.49 0.06 2.46 0.20 -1.26 0.11 118.68 117.07 1pun s LEU 67 Ca 0.00 -0.90 -0.15 0.00 0.69 0.00 0.00 54.13 53.76 1pun s LEU 67 Cb 0.00 -1.41 -0.23 0.00 -0.43 0.00 0.00 46.19 44.12 1pun s LEU 67 CO 0.00 -0.09 1.18 0.15 -0.29 0.00 0.00 176.35 177.30 1pun h PHE 68 N 7.91 0.94 -1.88 5.38 3.04 -1.29 -3.43 116.94 127.62 1pun h PHE 68 Ca -0.33 -0.50 0.19 0.00 3.98 0.00 0.00 57.97 61.30 1pun h PHE 68 Cb 1.10 -0.11 -0.17 0.00 2.56 0.00 0.00 35.95 39.33 1pun h PHE 68 CO 0.53 1.33 0.65 -2.00 -2.02 0.00 0.00 178.31 176.80 1pun s GLU 69 N -3.34 0.57 -0.06 1.11 2.12 -1.19 -5.02 118.70 112.90 1pun s GLU 69 Ca -0.11 -0.22 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 1pun s GLU 69 Cb 0.06 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.74 1pun s GLU 69 CO 0.89 -0.25 0.13 -1.59 -0.54 0.00 0.00 175.26 173.90 1pun s LYS 70 N -2.77 0.10 -0.34 4.30 0.00 -1.26 0.15 119.74 119.92 1pun s LYS 70 Ca 0.08 0.29 -0.14 0.00 0.00 0.00 0.00 55.97 56.19 1pun s LYS 70 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 37.83 37.70 1pun s LYS 70 CO -0.07 -0.12 0.32 -1.17 0.00 0.00 0.00 175.35 174.32 1pun s LEU 71 N 0.80 4.43 -0.31 2.77 2.96 0.59 -4.91 118.68 125.00 1pun s LEU 71 Ca -0.06 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1pun s LEU 71 Cb -0.08 -2.27 0.06 0.00 0.50 0.00 0.00 46.19 44.40 1pun s LEU 71 CO -0.04 -0.29 0.02 -0.70 -1.32 0.00 0.00 176.35 174.03 1pun s GLU 72 N 1.92 2.30 -0.07 1.98 2.12 -1.26 -0.32 118.70 125.37 1pun s GLU 72 Ca 0.10 -1.38 -0.03 0.00 0.36 0.00 0.00 54.97 54.02 1pun s GLU 72 Cb -0.17 -3.21 0.04 0.00 0.26 0.00 0.00 34.13 31.05 1pun s GLU 72 CO 0.11 -0.69 0.14 -0.47 -0.54 0.00 0.00 175.26 173.81 1pun s TYR 73 N 1.21 -0.14 -0.26 5.30 5.04 -1.09 -5.07 117.35 122.33 1pun s TYR 73 Ca -0.03 0.51 0.02 0.00 -2.44 0.00 0.00 57.07 55.13 1pun s TYR 73 Cb -0.20 -0.21 0.06 0.00 0.35 0.00 0.00 41.96 41.97 1pun s TYR 73 CO -0.02 -0.21 -0.07 -1.83 -1.34 0.00 0.00 175.55 172.07 1pun s GLU 74 N 1.77 1.97 0.77 4.97 -1.05 -1.26 -1.78 118.70 124.10 1pun s GLU 74 Ca -0.02 -1.31 -0.11 0.00 -0.15 0.00 0.00 54.97 53.38 1pun s GLU 74 Cb -0.12 -2.83 0.05 0.00 -0.44 0.00 0.00 34.13 30.80 1pun s GLU 74 CO -0.05 -0.62 1.09 -0.06 0.95 0.00 0.00 175.26 176.56 1pun s PHE 75 N 1.17 2.89 -0.53 4.83 0.40 -0.50 -4.78 117.98 121.45 1pun s PHE 75 Ca -0.06 1.23 -0.06 0.00 -0.60 0.00 0.00 56.93 57.45 1pun s PHE 75 Cb -0.20 -3.06 -0.17 0.00 0.51 0.00 0.00 43.02 40.10 1pun s PHE 75 CO -0.06 -1.65 1.62 -0.35 0.70 0.00 0.00 175.22 175.48 1pun n PRO 76 N -3.37 0.02 0.00 0.24 -0.04 -1.26 0.21 135.00 130.80 1pun n PRO 76 Ca 0.07 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1pun n PRO 76 Cb 0.55 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 5.72 0.00 -4.81 3.54 8.00 -1.26 -5.05 116.55 122.69 1pun n ASP 77 Ca 0.35 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.52 1pun n ASP 77 Cb 0.32 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.15 3.78 -0.22 -1.24 3.52 0.57 -3.12 118.95 122.09 1pun s ARG 78 Ca 0.00 1.17 -0.03 0.00 -0.13 0.00 0.00 55.73 56.73 1pun s ARG 78 Cb 0.00 -2.10 0.11 0.00 -1.56 0.00 0.00 34.95 31.39 1pun s ARG 78 CO 0.00 -0.43 0.26 -1.01 -0.81 0.00 0.00 175.30 173.31 1pun s HIS 79 N -2.32 -0.42 -0.04 5.12 3.76 0.26 -1.41 115.29 120.24 1pun s HIS 79 Ca 0.63 0.34 0.07 0.00 -0.15 0.00 0.00 55.06 55.95 1pun s HIS 79 Cb -0.13 -0.28 -0.02 0.00 1.11 0.00 0.00 32.58 33.27 1pun s HIS 79 CO 0.27 -0.65 -0.25 -1.50 -0.85 0.00 0.00 174.74 171.76 1pun s ILE 80 N 2.38 2.13 -0.10 0.60 2.07 -0.73 0.87 121.20 128.42 1pun s ILE 80 Ca 0.08 -1.06 -0.01 0.00 -1.41 0.00 0.00 60.65 58.25 1pun s ILE 80 Cb -0.16 -1.76 0.03 0.00 0.13 0.00 0.00 42.46 40.71 1pun s ILE 80 CO -0.14 0.57 -0.00 0.42 -1.91 0.00 0.00 174.94 173.88 1pun s THR 81 N -0.37 0.47 -0.24 4.00 -4.23 -0.58 -2.65 115.64 112.04 1pun s THR 81 Ca 0.03 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1pun s THR 81 Cb -0.12 -0.67 0.03 0.00 1.34 0.00 0.00 72.50 73.08 1pun s THR 81 CO 0.02 0.20 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.45 1pun s LEU 82 N 1.92 3.14 -0.22 4.79 1.43 0.57 0.18 118.68 130.49 1pun s LEU 82 Ca 0.04 -0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 1pun s LEU 82 Cb -0.13 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1pun s LEU 82 CO -0.06 -0.13 0.04 0.26 0.23 0.00 0.00 176.35 176.69 1pun s TRP 83 N 1.28 3.07 -0.25 0.29 0.51 0.21 0.22 118.94 124.28 1pun s TRP 83 Ca -0.01 -0.43 -0.11 0.00 -2.12 0.00 0.00 56.10 53.44 1pun s TRP 83 Cb -0.17 -2.16 -0.05 0.00 -0.81 0.00 0.00 33.47 30.28 1pun s TRP 83 CO -0.05 -0.29 0.16 -0.06 -0.51 0.00 0.00 176.95 176.20 1pun s PHE 84 N 1.29 3.30 -0.30 -1.98 0.40 0.39 0.12 117.98 121.20 1pun s PHE 84 Ca 0.04 0.20 -0.11 0.00 -0.60 0.00 0.00 56.93 56.46 1pun s PHE 84 Cb -0.15 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1pun s PHE 84 CO 0.02 0.03 0.20 -1.58 0.70 0.00 0.00 175.22 174.59 1pun s TRP 85 N 1.17 3.21 -0.79 0.36 0.52 0.37 -0.87 118.94 122.91 1pun s TRP 85 Ca 0.07 -0.07 -0.26 0.00 0.02 0.00 0.00 56.10 55.87 1pun s TRP 85 Cb -0.14 -2.40 0.02 0.00 -1.15 0.00 0.00 33.47 29.80 1pun s TRP 85 CO 0.05 -0.26 1.43 -1.17 0.02 0.00 0.00 176.95 177.03 1pun s LEU 86 N 1.73 3.25 0.40 2.99 1.98 0.29 -3.29 118.68 126.04 1pun s LEU 86 Ca 0.07 -0.56 -0.24 0.00 -2.89 0.00 0.00 54.13 50.50 1pun s LEU 86 Cb -0.16 -2.56 -0.09 0.00 0.66 0.00 0.00 46.19 44.04 1pun s LEU 86 CO 0.10 -1.89 1.08 -0.69 -1.89 0.00 0.00 176.35 173.06 1pun s VAL 87 N 6.27 3.57 -0.05 1.68 1.01 -1.10 -3.91 120.40 127.88 1pun s VAL 87 Ca 0.44 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.69 1pun s VAL 87 Cb -0.07 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1pun s VAL 87 CO 0.10 0.04 0.01 -0.62 0.00 0.00 0.00 175.10 174.62 1pun n GLU 88 N -0.02 2.83 -3.66 2.72 1.02 0.29 -3.77 120.64 120.04 1pun n GLU 88 Ca 0.05 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.12 1pun n GLU 88 Cb 0.49 -1.13 -0.02 0.00 -0.02 0.00 0.00 31.44 30.76 1pun n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1pun s ARG 89 N -2.12 1.31 -0.06 3.49 6.06 0.44 -4.02 118.95 124.04 1pun s ARG 89 Ca -0.03 -0.64 -0.09 0.00 -2.50 0.00 0.00 55.73 52.47 1pun s ARG 89 Cb 0.02 0.50 0.02 0.00 0.06 0.00 0.00 34.95 35.55 1pun s ARG 89 CO 0.20 -0.59 0.23 1.67 -2.50 0.00 0.00 175.30 174.30 1pun s TRP 90 N -3.54 -0.19 0.32 5.12 -2.14 -1.20 0.18 118.94 117.49 1pun s TRP 90 Ca 0.08 0.43 -0.25 0.00 2.66 0.00 0.00 56.10 59.02 1pun s TRP 90 Cb -0.03 0.06 -0.10 0.00 -3.10 0.00 0.00 33.47 30.31 1pun s TRP 90 CO -0.02 -0.19 0.92 -1.21 -2.66 0.00 0.00 176.95 173.79 1pun s GLU 91 N -0.37 4.51 1.45 3.25 2.02 -1.14 -4.83 118.70 123.59 1pun s GLU 91 Ca -0.05 1.25 0.00 0.00 0.02 0.00 0.00 54.97 56.19 1pun s GLU 91 Cb -0.03 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1pun s GLU 91 CO 0.01 0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.96 1pun n GLY 92 N 0.44 1.62 3.12 -1.39 0.00 -1.26 -4.31 105.19 103.42 1pun n GLY 92 Ca 0.02 0.58 -0.24 0.00 0.00 0.00 0.00 46.02 46.37 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 1.47 0.50 1.61 2.12 -1.26 -5.14 118.70 117.99 1pun s GLU 93 Ca 0.00 -0.56 -0.19 0.00 0.36 0.00 0.00 54.97 54.58 1pun s GLU 93 Cb 0.00 -1.34 -0.08 0.00 0.26 0.00 0.00 34.13 32.96 1pun s GLU 93 CO 0.00 0.28 1.02 -2.14 -0.54 0.00 0.00 175.26 173.87 1pun s PRO 94 N -0.14 3.83 0.16 4.30 0.02 -1.26 -4.65 135.00 137.26 1pun s PRO 94 Ca 0.01 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.27 1pun s PRO 94 Cb -0.09 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1pun s PRO 94 CO 0.01 -0.39 0.00 -2.67 -0.33 0.00 0.00 177.00 173.62 1pun n TRP 95 N -1.15 -2.70 0.00 6.54 4.27 0.29 -4.98 117.44 119.72 1pun n TRP 95 Ca 0.08 0.49 0.00 0.00 -3.89 0.00 0.00 57.50 54.19 1pun n TRP 95 Cb 0.53 1.48 0.00 0.00 -1.36 0.00 0.00 31.31 31.96 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 -0.68 0.52 0.00 -1.67 0.00 0.36 -3.84 105.19 99.88 1pun n GLY 96 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.27 1.61 4.76 0.37 -4.67 118.16 119.95 1pun n LYS 97 Ca 0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 1pun n LYS 97 Cb 0.00 0.00 0.31 0.00 -1.84 0.00 0.00 35.03 33.50 1pun n LYS 97 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1pun h GLU 98 N 0.00 0.82 0.00 1.97 4.11 -1.68 -3.44 114.58 116.36 1pun h GLU 98 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1pun h GLU 98 Cb 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1pun h GLU 98 CO 0.00 0.54 0.00 0.41 0.07 0.00 0.00 179.01 180.03 1pun n GLY 99 N -1.41 3.16 3.11 1.06 0.00 -1.26 -4.95 105.19 104.90 1pun n GLY 99 Ca 0.15 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1pun n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pun s GLN 100 N 0.00 2.03 0.18 1.61 0.00 -1.26 -5.02 119.66 117.21 1pun s GLN 100 Ca 0.00 -1.64 -0.31 0.00 -0.00 0.00 0.00 55.36 53.41 1pun s GLN 100 Cb 0.00 -3.35 -0.17 0.00 0.00 0.00 0.00 33.01 29.50 1pun s GLN 100 CO 0.00 -0.88 0.85 -2.30 0.00 0.00 0.00 175.29 172.96 1pun n PRO 101 N 4.52 0.54 -4.40 9.60 -0.02 -1.26 -4.28 135.00 139.71 1pun n PRO 101 Ca -0.05 0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 61.41 1pun n PRO 101 Cb 0.42 -1.46 -0.08 0.00 -0.02 0.00 0.00 33.50 32.36 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 -0.53 2.37 0.18 -1.23 0.00 -1.26 -3.69 107.32 103.17 1pun s GLY 102 Ca 0.69 -1.63 0.08 0.00 0.00 0.00 0.00 44.72 43.87 1pun s GLY 102 CO 0.56 -1.66 -0.16 1.85 0.00 0.00 0.00 173.10 173.69 1pun s GLU 103 N -3.66 1.29 -0.32 2.90 2.12 -1.18 -4.87 118.70 114.97 1pun s GLU 103 Ca 0.32 -1.48 -0.28 0.00 0.36 0.00 0.00 54.97 53.89 1pun s GLU 103 Cb 0.03 -1.21 -0.06 0.00 0.26 0.00 0.00 34.13 33.15 1pun s GLU 103 CO 0.19 0.23 2.29 0.91 -0.54 0.00 0.00 175.26 178.34 1pun n TRP 104 N -0.01 1.77 -4.86 5.30 8.01 -1.26 -3.39 117.44 123.00 1pun n TRP 104 Ca -0.11 -0.03 -0.30 0.00 -1.31 0.00 0.00 57.50 55.75 1pun n TRP 104 Cb 0.59 -2.69 -0.15 0.00 -2.01 0.00 0.00 31.31 27.05 1pun n TRP 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1pun s MET 105 N 7.01 1.75 -0.12 -0.99 0.23 -1.17 -4.86 119.30 121.14 1pun s MET 105 Ca 1.01 -1.12 -0.29 0.00 -1.03 0.00 0.00 55.69 54.25 1pun s MET 105 Cb -0.31 -1.95 -0.04 0.00 -1.53 0.00 0.00 34.83 31.00 1pun s MET 105 CO 0.33 0.50 1.63 0.45 -2.03 0.00 0.00 175.02 175.90 1pun s SER 106 N -1.30 6.56 0.45 -1.18 0.15 -1.26 0.14 113.70 117.27 1pun s SER 106 Ca 0.12 1.99 0.31 0.00 0.70 0.00 0.00 55.95 59.06 1pun s SER 106 Cb -0.10 -2.53 1.30 0.00 -1.71 0.00 0.00 66.02 62.98 1pun s SER 106 CO 0.02 -1.05 1.91 0.25 1.20 0.00 0.00 173.24 175.57 1pun h LEU 107 N 10.80 0.00 -1.27 3.45 7.12 -1.85 -3.19 115.31 130.37 1pun h LEU 107 Ca -0.36 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.65 1pun h LEU 107 Cb 1.17 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1pun h LEU 107 CO 0.97 0.00 0.58 1.62 -0.13 0.00 0.00 178.44 181.48 1pun h VAL 108 N 0.00 0.00 -1.26 1.05 3.04 -1.92 -2.39 116.25 114.78 1pun h VAL 108 Ca 0.00 0.00 -0.39 0.00 -1.01 0.00 0.00 66.70 65.30 1pun h VAL 108 Cb 0.41 0.42 -0.35 0.00 -2.01 0.00 0.00 31.29 29.76 1pun h VAL 108 CO 0.00 0.00 -1.04 0.61 -1.01 0.00 0.00 177.57 176.13 1pun n GLY 109 N -1.32 2.35 3.74 3.17 0.00 -1.20 -5.12 105.19 106.80 1pun n GLY 109 Ca -0.01 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.72 3.58 -0.25 0.99 0.20 -0.90 -5.01 118.68 114.57 1pun s LEU 110 Ca 0.32 2.51 0.01 0.00 0.69 0.00 0.00 54.13 57.66 1pun s LEU 110 Cb 0.39 -4.61 0.04 0.00 -0.43 0.00 0.00 46.19 41.58 1pun s LEU 110 CO -0.04 -1.88 -0.10 0.20 -0.29 0.00 0.00 176.35 174.24 1pun s ASN 111 N -1.54 4.20 0.30 3.68 0.02 -1.26 -4.95 114.94 115.39 1pun s ASN 111 Ca 0.80 -1.10 0.26 0.00 -1.02 0.00 0.00 52.86 51.79 1pun s ASN 111 Cb -0.34 -1.58 0.99 0.00 0.02 0.00 0.00 41.25 40.33 1pun s ASN 111 CO 0.38 -0.14 1.76 0.00 0.02 0.00 0.00 177.10 179.11 1pun h ALA 112 N 7.89 1.00 0.08 0.60 0.00 -1.93 -2.66 119.26 124.24 1pun h ALA 112 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 1pun h ALA 112 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pun h ALA 112 CO 0.53 0.00 -1.11 0.38 0.00 0.00 0.00 179.25 179.05 1pun h ASP 113 N 0.00 0.47 1.66 0.00 2.03 -1.96 -3.23 116.42 115.39 1pun h ASP 113 Ca 0.00 -0.45 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1pun h ASP 113 Cb 0.48 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1pun h ASP 113 CO 0.00 1.30 -0.25 0.44 -1.03 0.00 0.00 179.24 179.70 1pun h ASP 114 N 0.14 0.00 -2.26 4.15 5.19 -1.80 -3.44 116.42 118.39 1pun h ASP 114 Ca -0.11 -0.01 -0.46 0.00 -0.62 0.00 0.00 57.03 55.83 1pun h ASP 114 Cb 1.80 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.31 1pun h ASP 114 CO 0.19 0.01 -0.30 0.72 -3.12 0.00 0.00 179.24 176.74 1pun s PHE 115 N -3.23 3.30 0.10 4.55 -0.71 -1.02 -0.31 117.98 120.66 1pun s PHE 115 Ca 0.06 0.02 -0.34 0.00 -1.04 0.00 0.00 56.93 55.63 1pun s PHE 115 Cb 0.07 -1.91 -0.14 0.00 -1.21 0.00 0.00 43.02 39.84 1pun s PHE 115 CO 0.69 0.08 1.62 -0.35 -1.34 0.00 0.00 175.22 175.92 1pun n PRO 116 N -1.68 2.06 0.27 1.99 -0.04 -0.44 -4.67 135.00 132.50 1pun n PRO 116 Ca -0.03 0.75 0.18 0.00 -0.04 0.00 0.00 63.50 64.35 1pun n PRO 116 Cb 0.57 -2.52 0.84 0.00 -0.04 0.00 0.00 33.50 32.36 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 6.48 0.00 0.00 0.54 0.13 -1.82 -2.33 132.00 135.00 1pun h PRO 117 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1pun h PRO 117 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1pun h PRO 117 CO 0.89 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.64 1pun h ALA 118 N 2.03 1.13 -0.17 -0.56 0.00 -1.96 -1.21 119.26 118.51 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 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pun h ALA 118 CO 0.00 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1pun n ASN 119 N -3.30 2.36 -0.34 0.00 4.13 -0.88 -4.66 115.26 112.57 1pun n ASN 119 Ca -0.02 -1.73 0.03 0.00 1.68 0.00 0.00 54.58 54.54 1pun n ASN 119 Cb 0.15 -0.11 0.17 0.00 -1.54 0.00 0.00 39.78 38.45 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 1.84 1.02 -1.03 3.52 4.81 -1.20 -2.84 114.58 120.69 1pun h GLU 120 Ca 0.00 -0.06 0.33 0.00 -0.13 0.00 0.00 59.36 59.50 1pun h GLU 120 Cb 0.57 -0.23 -0.15 0.00 0.63 0.00 0.00 28.75 29.57 1pun h GLU 120 CO 0.00 0.67 0.60 -1.35 -0.73 0.00 0.00 179.01 178.20 1pun h PRO 121 N 1.05 0.29 0.02 0.92 0.11 -1.83 2.23 132.00 134.79 1pun h PRO 121 Ca 0.42 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.51 1pun h PRO 121 Cb 0.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1pun h PRO 121 CO -0.19 0.19 -0.01 0.28 -0.21 0.00 0.00 178.00 178.06 1pun h VAL 122 N 0.30 1.14 0.00 3.15 2.07 -1.88 -3.34 116.25 117.69 1pun h VAL 122 Ca 0.74 -1.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 1pun h VAL 122 Cb 1.76 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 1pun h VAL 122 CO -0.58 0.37 -0.37 0.40 0.02 0.00 0.00 177.57 177.41 1pun h ILE 123 N -0.97 0.94 -0.43 4.57 1.08 -1.44 -3.14 117.51 118.12 1pun h ILE 123 Ca -0.00 -1.46 0.08 0.00 -0.39 0.00 0.00 64.86 63.09 1pun h ILE 123 Cb 0.63 1.87 -0.07 0.00 -3.07 0.00 0.00 36.82 36.19 1pun h ILE 123 CO 0.00 0.36 0.03 0.00 -0.69 0.00 0.00 178.15 177.86 1pun h ALA 124 N 1.63 0.43 -0.14 1.87 0.00 0.36 2.05 119.26 125.45 1pun h ALA 124 Ca -0.00 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1pun h ALA 124 Cb 0.84 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1pun h ALA 124 CO 0.05 -0.37 -0.14 0.87 0.00 0.00 0.00 179.25 179.66 1pun h LYS 125 N 0.14 -0.16 0.01 0.00 1.57 -1.66 -0.04 116.57 116.44 1pun h LYS 125 Ca 0.21 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1pun h LYS 125 Cb 0.30 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1pun h LYS 125 CO -0.33 -0.11 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.27 1pun h LEU 126 N -0.17 0.07 -1.30 2.94 -0.00 -1.55 -3.33 115.31 111.98 1pun h LEU 126 Ca 0.09 -0.92 0.23 0.00 -0.00 0.00 0.00 57.88 57.28 1pun h LEU 126 Cb 0.30 -0.02 -0.09 0.00 -0.00 0.00 0.00 40.66 40.85 1pun h LEU 126 CO -0.24 0.98 0.63 0.50 -0.00 0.00 0.00 178.44 180.32 1pun h LYS 127 N -0.83 0.49 0.00 1.13 3.11 0.33 1.78 116.57 122.58 1pun h LYS 127 Ca -0.02 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1pun h LYS 127 Cb 1.01 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1pun h LYS 127 CO 0.02 0.33 0.00 -2.13 -2.81 0.00 0.00 179.45 174.86 1pun n ARG 128 N -4.64 0.02 -0.10 1.90 0.63 -0.03 -5.02 116.66 109.42 1pun n ARG 128 Ca 0.23 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 1pun n ARG 128 Cb 0.74 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 32.09 1pun n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40