#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 3.09 0.04 0.03 2.20 -1.08 -5.06 119.74 118.97 1pun s LYS 2 Ca 0.00 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1pun s LYS 2 Cb 0.00 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 1pun s LYS 2 CO 0.00 0.60 -0.03 -1.59 -0.36 0.00 0.00 175.35 173.98 1pun s LYS 3 N -0.62 0.56 -0.12 4.03 0.00 -1.26 -1.02 119.74 121.31 1pun s LYS 3 Ca 0.10 -1.09 -0.05 0.00 0.00 0.00 0.00 55.97 54.93 1pun s LYS 3 Cb -0.12 0.19 0.06 0.00 0.00 0.00 0.00 37.83 37.97 1pun s LYS 3 CO 0.02 -0.10 0.25 -0.48 0.00 0.00 0.00 175.35 175.04 1pun s LEU 4 N -2.63 -0.24 0.17 2.77 0.05 0.32 -4.88 118.68 114.24 1pun s LEU 4 Ca 0.02 0.56 0.04 0.00 0.05 0.00 0.00 54.13 54.80 1pun s LEU 4 Cb 0.04 0.65 -0.04 0.00 -2.05 0.00 0.00 46.19 44.80 1pun s LEU 4 CO -0.08 -0.24 0.24 -1.10 -0.55 0.00 0.00 176.35 174.62 1pun s GLN 5 N 2.35 3.22 -0.09 1.48 -0.21 -1.26 -0.96 119.66 124.19 1pun s GLN 5 Ca 0.01 -0.74 -0.09 0.00 0.02 0.00 0.00 55.36 54.56 1pun s GLN 5 Cb -0.12 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 31.10 1pun s GLN 5 CO -0.08 0.49 0.24 0.42 -2.12 0.00 0.00 175.29 174.24 1pun s ILE 6 N -1.80 0.00 -0.10 1.08 1.09 0.43 -3.91 121.20 117.99 1pun s ILE 6 Ca 0.33 -0.02 0.01 0.00 -1.10 0.00 0.00 60.65 59.87 1pun s ILE 6 Cb -0.10 -0.35 0.02 0.00 -1.06 0.00 0.00 42.46 40.96 1pun s ILE 6 CO 0.27 -0.01 -0.12 0.00 -0.10 0.00 0.00 174.94 174.97 1pun s ALA 7 N 0.07 1.48 0.16 9.38 0.00 -1.21 0.50 121.76 132.14 1pun s ALA 7 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.41 1pun s ALA 7 Cb -0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1pun s ALA 7 CO 0.00 -0.13 -0.13 0.14 0.00 0.00 0.00 175.76 175.64 1pun s VAL 8 N 1.11 1.43 0.03 0.00 -7.23 0.43 -3.71 120.40 112.46 1pun s VAL 8 Ca -0.05 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 1pun s VAL 8 Cb -0.14 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 35.00 1pun s VAL 8 CO -0.02 -0.59 0.36 -0.83 -0.31 0.00 0.00 175.10 173.70 1pun s GLY 9 N -3.00 -0.20 -0.24 2.32 0.00 -0.67 0.10 107.32 105.64 1pun s GLY 9 Ca 0.16 0.22 -0.09 0.00 0.00 0.00 0.00 44.72 45.02 1pun s GLY 9 CO 0.04 -0.02 0.11 -0.26 0.00 0.00 0.00 173.10 172.97 1pun s ILE 10 N -2.25 4.83 -0.43 0.90 -5.25 -1.21 -3.28 121.20 114.51 1pun s ILE 10 Ca -0.07 -0.00 -0.28 0.00 -0.99 0.00 0.00 60.65 59.31 1pun s ILE 10 Cb -0.02 -3.25 0.03 0.00 2.95 0.00 0.00 42.46 42.17 1pun s ILE 10 CO -0.01 0.35 1.08 -0.63 -1.79 0.00 0.00 174.94 173.94 1pun s ILE 11 N 1.22 4.34 0.44 8.37 1.01 -1.26 -2.94 121.20 132.38 1pun s ILE 11 Ca 0.06 1.26 -0.21 0.00 0.00 0.00 0.00 60.65 61.77 1pun s ILE 11 Cb -0.14 -4.52 -0.11 0.00 0.01 0.00 0.00 42.46 37.70 1pun s ILE 11 CO 0.05 -0.84 0.95 -0.13 0.00 0.00 0.00 174.94 174.98 1pun s ARG 12 N 4.11 4.20 0.14 2.79 0.52 -1.25 -2.98 118.95 126.48 1pun s ARG 12 Ca 0.45 1.11 0.01 0.00 -0.52 0.00 0.00 55.73 56.78 1pun s ARG 12 Cb -0.09 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.20 1pun s ARG 12 CO 0.26 -0.06 0.03 -1.71 0.02 0.00 0.00 175.30 173.85 1pun n ASN 13 N -0.74 1.53 0.21 0.23 4.05 -1.17 -3.14 115.26 116.24 1pun n ASN 13 Ca 0.07 -1.68 -0.15 0.00 0.45 0.00 0.00 54.58 53.27 1pun n ASN 13 Cb 0.54 0.25 -0.07 0.00 1.23 0.00 0.00 39.78 41.72 1pun n ASN 13 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1pun h GLU 14 N 0.00 -0.68 0.00 1.20 4.22 -1.88 -2.13 114.58 115.31 1pun h GLU 14 Ca -0.11 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1pun h GLU 14 Cb 0.38 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1pun h GLU 14 CO 0.18 -0.45 0.00 -1.71 -2.18 0.00 0.00 179.01 174.85 1pun n ASN 15 N -5.45 0.00 0.00 1.04 5.15 -1.26 -4.84 115.26 109.90 1pun n ASN 15 Ca -0.09 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1pun n ASN 15 Cb 0.35 -0.27 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 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 -1.27 -1.93 -4.64 1.20 5.15 -0.80 -5.04 115.26 107.92 1pun n ASN 16 Ca 0.10 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.72 1pun n ASN 16 Cb 0.16 -0.32 -0.10 0.00 -0.53 0.00 0.00 39.78 38.99 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 -0.54 4.02 -0.29 1.20 -1.05 -1.26 -4.62 118.70 116.16 1pun s GLU 17 Ca 0.00 -0.30 -0.10 0.00 -0.15 0.00 0.00 54.97 54.42 1pun s GLU 17 Cb 0.00 -3.42 -0.03 0.00 -0.44 0.00 0.00 34.13 30.24 1pun s GLU 17 CO 0.00 0.12 0.16 -1.50 0.95 0.00 0.00 175.26 174.99 1pun s ILE 18 N 0.84 4.85 -0.41 1.83 -1.16 0.34 -3.07 121.20 124.42 1pun s ILE 18 Ca 0.06 -0.16 -0.27 0.00 -0.51 0.00 0.00 60.65 59.77 1pun s ILE 18 Cb -0.13 -3.38 -0.06 0.00 0.61 0.00 0.00 42.46 39.50 1pun s ILE 18 CO 0.02 0.17 2.31 0.72 -2.81 0.00 0.00 174.94 175.36 1pun s PHE 19 N 1.67 1.14 -0.15 3.50 -0.12 -1.16 -3.03 117.98 119.84 1pun s PHE 19 Ca 0.06 1.19 -0.06 0.00 -0.05 0.00 0.00 56.93 58.07 1pun s PHE 19 Cb -0.16 -3.72 -0.04 0.00 -0.63 0.00 0.00 43.02 38.46 1pun s PHE 19 CO 0.08 -3.02 0.07 0.96 -0.05 0.00 0.00 175.22 173.26 1pun s ILE 20 N 10.74 4.92 -0.31 -4.49 -4.36 -1.23 -4.54 121.20 121.94 1pun s ILE 20 Ca 0.97 0.00 -0.29 0.00 -0.26 0.00 0.00 60.65 61.07 1pun s ILE 20 Cb -0.22 -3.17 -0.01 0.00 1.25 0.00 0.00 42.46 40.30 1pun s ILE 20 CO 0.29 0.53 1.64 0.28 0.24 0.00 0.00 174.94 177.92 1pun s THR 21 N -0.23 3.66 -0.03 8.37 -1.32 -0.99 -4.03 115.64 121.07 1pun s THR 21 Ca 0.08 0.70 0.04 0.00 -1.21 0.00 0.00 61.69 61.30 1pun s THR 21 Cb -0.12 -3.79 -0.00 0.00 -1.51 0.00 0.00 72.50 67.08 1pun s THR 21 CO 0.01 -0.44 -0.13 0.00 -2.21 0.00 0.00 174.62 171.85 1pun s ARG 22 N 5.13 1.27 -0.21 7.08 1.70 -1.26 -2.03 118.95 130.62 1pun s ARG 22 Ca 0.73 -0.46 -0.01 0.00 -0.47 0.00 0.00 55.73 55.52 1pun s ARG 22 Cb -0.21 -1.16 0.01 0.00 -0.57 0.00 0.00 34.95 33.02 1pun s ARG 22 CO 0.32 0.21 0.03 0.54 -1.08 0.00 0.00 175.30 175.32 1pun n ARG 23 N 3.08 -2.82 0.00 3.89 1.74 -1.20 -4.58 116.66 116.78 1pun n ARG 23 Ca -0.17 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1pun n ARG 23 Cb 0.54 -4.59 0.00 0.00 -1.02 0.00 0.00 32.46 27.39 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 -2.56 0.00 -0.07 7.54 0.00 -1.26 -2.72 120.51 121.44 1pun n ALA 24 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1pun n ALA 24 Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 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 0.27 1.48 -1.07 0.00 0.00 -1.26 -4.26 120.51 115.66 1pun n ALA 25 Ca 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 53.44 52.31 1pun n ALA 25 Cb 0.00 -0.41 0.29 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.90 4.42 -3.12 0.00 8.00 -1.26 -4.98 116.55 116.71 1pun n ASP 26 Ca -0.29 -3.22 -0.13 0.00 0.71 0.00 0.00 54.79 51.86 1pun n ASP 26 Cb 1.11 -0.68 0.01 0.00 -0.02 0.00 0.00 41.12 41.54 1pun n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pun n ALA 27 N -0.29 -2.73 -0.09 2.24 0.00 -1.10 -5.01 120.51 113.53 1pun n ALA 27 Ca 0.34 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.37 1pun n ALA 27 Cb 1.22 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.89 0.00 -3.79 0.00 8.25 -1.20 -4.97 115.22 112.62 1pun n HIS 28 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 1pun n HIS 28 Cb 0.53 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.53 1pun n HIS 28 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1pun s MET 29 N -0.91 1.97 0.54 -0.41 1.75 -1.26 -4.94 119.30 116.03 1pun s MET 29 Ca 0.00 -1.82 0.36 0.00 -1.25 0.00 0.00 55.69 52.97 1pun s MET 29 Cb 0.00 -3.56 1.82 0.00 2.84 0.00 0.00 34.83 35.93 1pun s MET 29 CO 0.00 -1.06 2.09 0.00 -0.65 0.00 0.00 175.02 175.39 1pun h ALA 30 N 8.02 1.00 -0.87 4.11 0.00 -1.91 -1.97 119.26 127.64 1pun h ALA 30 Ca -0.12 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.32 1pun h ALA 30 Cb 1.05 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.57 1pun h ALA 30 CO 0.69 0.00 0.59 0.09 0.00 0.00 0.00 179.25 180.62 1pun n ASN 31 N -2.84 4.03 -0.93 0.00 4.13 -1.25 -4.27 115.26 114.14 1pun n ASN 31 Ca -0.01 -3.42 0.02 0.00 1.68 0.00 0.00 54.58 52.84 1pun n ASN 31 Cb 0.13 -0.82 0.21 0.00 -1.54 0.00 0.00 39.78 37.76 1pun n ASN 31 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1pun n LYS 32 N -0.90 2.04 -0.70 3.52 5.02 -0.75 -1.81 118.16 124.59 1pun n LYS 32 Ca 0.52 -3.04 -0.17 0.00 -2.02 0.00 0.00 58.31 53.61 1pun n LYS 32 Cb 1.43 -1.77 -0.05 0.00 -0.02 0.00 0.00 35.03 34.62 1pun n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1pun n LEU 33 N -1.00 4.32 0.00 -0.35 0.00 -0.47 -4.16 117.00 115.34 1pun n LEU 33 Ca 0.27 -2.61 -0.04 0.00 0.00 0.00 0.00 56.01 53.63 1pun n LEU 33 Cb 0.93 -1.01 -0.00 0.00 0.00 0.00 0.00 43.42 43.34 1pun n LEU 33 CO 0.14 0.74 -0.01 -1.84 0.00 0.00 0.00 177.39 176.42 1pun n GLU 34 N 3.58 1.57 -4.46 1.96 0.28 -0.86 -4.39 120.64 118.31 1pun n GLU 34 Ca 0.38 -0.46 -0.24 0.00 -0.16 0.00 0.00 57.16 56.68 1pun n GLU 34 Cb 0.30 0.08 -0.10 0.00 1.43 0.00 0.00 31.44 33.15 1pun n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1pun s PHE 35 N -0.70 2.31 1.06 -1.84 0.08 -1.26 -2.34 117.98 115.29 1pun s PHE 35 Ca 0.02 -0.33 -0.21 0.00 0.12 0.00 0.00 56.93 56.54 1pun s PHE 35 Cb -0.00 -1.00 -0.01 0.00 -0.57 0.00 0.00 43.02 41.44 1pun s PHE 35 CO 0.02 0.71 -0.50 -0.35 -0.10 0.00 0.00 175.22 174.99 1pun n PRO 36 N -0.60 -0.92 0.00 0.24 -0.04 -1.20 -4.56 135.00 127.91 1pun n PRO 36 Ca -0.05 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1pun n PRO 36 Cb 0.60 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 2.53 0.84 2.82 0.55 0.00 -1.24 -1.67 105.19 109.01 1pun n GLY 37 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.74 0.95 0.00 -0.02 0.00 -1.24 -3.35 107.32 101.92 1pun s GLY 38 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1pun s GLY 38 CO 0.00 1.21 0.00 1.17 0.00 0.00 0.00 173.10 175.48 1pun n LYS 39 N 4.89 0.00 0.05 2.90 4.81 -1.26 -5.01 118.16 124.54 1pun n LYS 39 Ca -0.10 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.27 1pun n LYS 39 Cb 0.46 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.60 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 -1.84 -3.36 117.51 119.89 1pun h ILE 40 Ca 0.00 -1.94 0.00 0.00 1.55 0.00 0.00 64.86 64.47 1pun h ILE 40 Cb 0.00 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 1pun h ILE 40 CO 0.00 0.58 0.00 -1.84 -1.05 0.00 0.00 178.15 175.84 1pun n GLU 41 N -3.90 0.00 0.00 0.16 0.28 -1.25 -4.44 120.64 111.49 1pun n GLU 41 Ca -0.03 0.27 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 1pun n GLU 41 Cb 0.62 -0.81 0.00 0.00 1.43 0.00 0.00 31.44 32.68 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 -0.59 0.00 -0.52 3.44 2.81 -1.26 -2.71 117.12 118.30 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 0.33 0.00 3.03 0.00 -1.26 -5.12 105.19 102.17 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 1.26 -3.74 1.61 4.71 -1.10 -5.07 120.64 118.31 1pun n GLU 44 Ca -0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.85 1pun n GLU 44 Cb 0.39 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.80 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 0.42 5.20 0.58 2.62 2.01 -1.26 -4.75 115.64 120.45 1pun s THR 45 Ca 0.00 -0.77 0.36 0.00 0.31 0.00 0.00 61.69 61.59 1pun s THR 45 Cb 0.00 -3.86 0.53 0.00 0.01 0.00 0.00 72.50 69.18 1pun s THR 45 CO 0.00 -0.41 1.58 1.55 -0.69 0.00 0.00 174.62 176.65 1pun h PRO 46 N 1.03 0.00 0.00 4.92 0.13 -1.98 0.62 132.00 136.72 1pun h PRO 46 Ca -0.51 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.26 1pun h PRO 46 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1pun h PRO 46 CO 0.61 0.00 -2.21 0.39 -0.23 0.00 0.00 178.00 176.56 1pun n GLU 47 N -3.72 0.47 0.00 0.86 1.02 -1.26 -4.50 120.64 113.51 1pun n GLU 47 Ca 0.28 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.69 1pun n GLU 47 Cb 1.49 -1.30 0.43 0.00 -0.02 0.00 0.00 31.44 32.05 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 -3.85 0.29 -0.02 3.49 1.13 -0.74 -1.68 117.38 116.00 1pun n GLN 48 Ca -0.42 0.11 -0.17 0.00 -1.94 0.00 0.00 57.00 54.57 1pun n GLN 48 Cb 0.82 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 29.53 1pun n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pun h ALA 49 N 2.83 -0.00 0.17 -1.58 0.00 -0.00 -3.30 119.26 117.38 1pun h ALA 49 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 54.91 53.95 1pun h ALA 49 Cb 0.13 0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1pun h ALA 49 CO 0.00 0.25 -1.33 -0.24 0.00 0.00 0.00 179.25 177.93 1pun h VAL 50 N -0.72 1.41 -0.94 0.00 3.04 -1.74 -3.25 116.25 114.04 1pun h VAL 50 Ca -0.10 -2.89 0.21 0.00 -1.01 0.00 0.00 66.70 62.92 1pun h VAL 50 Cb 1.31 2.96 -0.07 0.00 -2.01 0.00 0.00 31.29 33.48 1pun h VAL 50 CO 0.05 0.85 0.62 0.58 -1.01 0.00 0.00 177.57 178.65 1pun h VAL 51 N 0.12 0.66 0.00 1.51 2.07 -1.48 1.69 116.25 120.81 1pun h VAL 51 Ca -0.18 -0.15 -0.19 0.00 0.82 0.00 0.00 66.70 67.00 1pun h VAL 51 Cb 2.04 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1pun h VAL 51 CO 0.23 0.08 -0.88 -0.09 0.02 0.00 0.00 177.57 176.93 1pun h ARG 52 N 0.45 0.00 0.15 1.57 2.43 -1.64 -3.21 114.38 114.13 1pun h ARG 52 Ca 0.50 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.38 1pun h ARG 52 Cb 1.20 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1pun h ARG 52 CO -0.22 0.88 -1.28 0.93 -1.51 0.00 0.00 179.97 178.78 1pun h GLU 53 N 0.00 0.45 -0.66 0.20 4.39 -0.65 -2.86 114.58 115.44 1pun h GLU 53 Ca -0.01 -0.68 0.14 0.00 0.34 0.00 0.00 59.36 59.15 1pun h GLU 53 Cb 1.60 0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 30.38 1pun h GLU 53 CO 0.11 1.31 -0.04 1.25 -1.16 0.00 0.00 179.01 180.48 1pun h LEU 54 N 0.16 -0.39 -0.63 1.33 5.85 0.23 1.95 115.31 123.82 1pun h LEU 54 Ca -0.18 0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1pun h LEU 54 Cb 1.98 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 43.32 1pun h LEU 54 CO 0.23 -0.16 -0.57 1.56 -0.34 0.00 0.00 178.44 179.16 1pun h GLN 55 N 0.08 0.00 0.00 1.25 7.50 -1.63 -1.44 115.11 120.87 1pun h GLN 55 Ca 0.34 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.42 1pun h GLN 55 Cb 0.57 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.09 1pun h GLN 55 CO -0.61 0.57 -0.37 1.49 -1.50 0.00 0.00 178.83 178.41 1pun h GLU 56 N 0.00 0.00 -0.26 1.46 4.81 0.74 0.95 114.58 122.28 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 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1pun h GLU 56 CO 0.07 0.37 0.00 0.39 -0.73 0.00 0.00 179.01 179.11 1pun n GLU 57 N -3.43 2.06 0.00 1.92 4.71 0.59 0.16 120.64 126.66 1pun n GLU 57 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 57.16 55.32 1pun n GLU 57 Cb 0.54 -1.31 0.00 0.00 -1.01 0.00 0.00 31.44 29.67 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 0.77 0.00 0.00 2.62 0.31 -0.56 -4.18 118.33 117.29 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 0.42 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 2.06 0.54 1.70 2.92 0.00 0.33 0.72 105.19 113.46 1pun n GLY 59 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.64 -0.61 -5.35 -1.26 -4.85 119.36 103.64 1pun n ILE 60 Ca 0.00 -0.39 -0.38 0.00 -0.27 0.00 0.00 62.75 61.71 1pun n ILE 60 Cb 0.00 -1.61 -0.08 0.00 -1.74 0.00 0.00 39.64 36.21 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 -2.21 4.11 0.06 7.28 -4.23 -1.26 -4.95 115.64 114.45 1pun s THR 61 Ca 0.33 -3.00 0.04 0.00 -1.18 0.00 0.00 61.69 57.89 1pun s THR 61 Cb -0.01 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1pun s THR 61 CO 0.24 -0.93 -0.03 -2.16 -0.54 0.00 0.00 174.62 171.20 1pun s PRO 62 N -0.20 2.52 -1.24 3.99 0.04 -1.26 -3.05 135.00 135.80 1pun s PRO 62 Ca 0.18 -0.81 -0.20 0.00 0.04 0.00 0.00 61.00 60.21 1pun s PRO 62 Cb -0.17 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1pun s PRO 62 CO -0.05 0.56 1.84 -0.65 0.04 0.00 0.00 177.00 178.73 1pun s GLN 63 N -2.03 3.24 -0.08 4.56 -0.21 0.80 -4.84 119.66 121.09 1pun s GLN 63 Ca 0.23 -1.58 0.03 0.00 0.02 0.00 0.00 55.36 54.06 1pun s GLN 63 Cb -0.11 -5.39 0.01 0.00 1.00 0.00 0.00 33.01 28.51 1pun s GLN 63 CO 0.15 -3.13 -0.18 -1.58 -2.12 0.00 0.00 175.29 168.42 1pun s HIS 64 N 7.65 2.03 -0.76 0.91 2.46 -1.24 0.12 115.29 126.47 1pun s HIS 64 Ca 0.61 -0.80 0.00 0.00 0.47 0.00 0.00 55.06 55.34 1pun s HIS 64 Cb 0.02 -1.40 0.00 0.00 -0.13 0.00 0.00 32.58 31.06 1pun s HIS 64 CO 0.11 -0.35 0.00 0.34 -2.47 0.00 0.00 174.74 172.37 1pun n PHE 65 N 3.65 0.00 -0.71 3.88 7.35 -1.26 -4.93 117.46 125.44 1pun n PHE 65 Ca -0.21 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.57 1pun n PHE 65 Cb 0.52 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.31 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 0.46 -3.92 -4.03 -2.13 2.88 -1.26 -3.18 113.62 102.44 1pun n SER 66 Ca 0.00 0.69 -0.30 0.00 -1.33 0.00 0.00 58.87 57.93 1pun n SER 66 Cb 0.00 -2.43 -0.16 0.00 -0.75 0.00 0.00 64.21 60.86 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 -5.68 1.72 0.17 2.46 0.05 -1.26 0.18 118.68 116.32 1pun s LEU 67 Ca 0.00 -0.49 0.03 0.00 0.05 0.00 0.00 54.13 53.72 1pun s LEU 67 Cb 0.00 -1.19 0.02 0.00 -2.05 0.00 0.00 46.19 42.97 1pun s LEU 67 CO 0.00 -0.05 1.40 2.19 -0.55 0.00 0.00 176.35 179.34 1pun h PHE 68 N 7.99 0.27 -1.84 3.48 -0.00 -1.54 -3.42 116.94 121.87 1pun h PHE 68 Ca -0.38 -0.14 0.22 0.00 -0.00 0.00 0.00 57.97 57.66 1pun h PHE 68 Cb 1.14 -0.03 -0.14 0.00 -0.00 0.00 0.00 35.95 36.91 1pun h PHE 68 CO 0.47 0.94 0.67 -2.00 -0.00 0.00 0.00 178.31 178.40 1pun s GLU 69 N -3.25 0.62 -0.08 6.09 2.12 -1.18 -5.02 118.70 118.00 1pun s GLU 69 Ca -0.03 -0.28 -0.04 0.00 0.36 0.00 0.00 54.97 54.98 1pun s GLU 69 Cb 0.10 0.25 0.04 0.00 0.26 0.00 0.00 34.13 34.79 1pun s GLU 69 CO 0.82 -0.28 0.18 -1.59 -0.54 0.00 0.00 175.26 173.85 1pun s LYS 70 N -2.77 0.11 -0.33 4.30 0.00 -1.26 0.14 119.74 119.93 1pun s LYS 70 Ca 0.10 0.47 -0.15 0.00 0.00 0.00 0.00 55.97 56.38 1pun s LYS 70 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 37.83 37.64 1pun s LYS 70 CO -0.04 -0.20 0.38 -1.17 0.00 0.00 0.00 175.35 174.31 1pun s LEU 71 N 1.52 4.34 -0.31 2.77 1.98 0.61 -4.94 118.68 124.64 1pun s LEU 71 Ca -0.06 -0.11 -0.02 0.00 -2.89 0.00 0.00 54.13 51.06 1pun s LEU 71 Cb -0.11 -2.38 0.06 0.00 0.66 0.00 0.00 46.19 44.42 1pun s LEU 71 CO -0.07 -0.32 0.02 -0.70 -1.89 0.00 0.00 176.35 173.40 1pun s GLU 72 N 2.07 2.34 -0.03 1.98 2.12 -1.26 -0.41 118.70 125.49 1pun s GLU 72 Ca 0.13 -1.36 -0.03 0.00 0.36 0.00 0.00 54.97 54.07 1pun s GLU 72 Cb -0.16 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.01 1pun s GLU 72 CO 0.12 -0.69 0.09 -0.47 -0.54 0.00 0.00 175.26 173.77 1pun s TYR 73 N 1.22 -0.10 -0.18 5.30 5.04 -1.05 -5.08 117.35 122.50 1pun s TYR 73 Ca -0.03 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 54.86 1pun s TYR 73 Cb -0.20 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.16 1pun s TYR 73 CO -0.02 -0.05 -0.18 -1.83 -1.34 0.00 0.00 175.55 172.12 1pun s GLU 74 N 0.12 2.84 0.48 4.97 -1.05 -1.26 -0.85 118.70 123.95 1pun s GLU 74 Ca -0.01 -0.85 -0.03 0.00 -0.15 0.00 0.00 54.97 53.94 1pun s GLU 74 Cb -0.01 -2.55 -0.01 0.00 -0.44 0.00 0.00 34.13 31.11 1pun s GLU 74 CO -0.00 -0.25 0.74 -0.06 0.95 0.00 0.00 175.26 176.64 1pun s PHE 75 N 1.29 3.36 -0.06 4.83 0.40 -0.50 -4.86 117.98 122.44 1pun s PHE 75 Ca 0.04 0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 56.86 1pun s PHE 75 Cb -0.14 -2.35 -0.02 0.00 0.51 0.00 0.00 43.02 41.02 1pun s PHE 75 CO -0.12 -0.38 0.76 -2.30 0.70 0.00 0.00 175.22 173.88 1pun n PRO 76 N -2.21 0.00 0.00 0.24 -0.01 -1.26 -1.37 135.00 130.39 1pun n PRO 76 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.50 1pun n PRO 76 Cb 0.57 -0.70 0.00 0.00 -0.01 0.00 0.00 33.50 33.36 1pun n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 1pun n ASP 77 N 3.20 0.00 -4.53 2.55 8.00 -1.26 -4.93 116.55 119.58 1pun n ASP 77 Ca 0.04 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 1pun n ASP 77 Cb 0.33 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.00 3.36 0.20 -1.24 3.52 -0.47 -2.63 118.95 121.69 1pun s ARG 78 Ca 0.00 -0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 55.38 1pun s ARG 78 Cb 0.00 -3.99 -0.04 0.00 -1.56 0.00 0.00 34.95 29.36 1pun s ARG 78 CO 0.00 -1.24 0.39 -1.01 -0.81 0.00 0.00 175.30 172.63 1pun s HIS 79 N 3.45 3.48 -0.01 5.12 3.76 -0.19 -1.42 115.29 129.49 1pun s HIS 79 Ca 0.29 0.34 0.06 0.00 -0.15 0.00 0.00 55.06 55.60 1pun s HIS 79 Cb -0.13 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 1pun s HIS 79 CO 0.21 0.38 -0.19 -1.50 -0.85 0.00 0.00 174.74 172.79 1pun s ILE 80 N -1.87 1.48 -0.09 0.60 2.07 -0.03 -0.52 121.20 122.84 1pun s ILE 80 Ca 0.38 -0.82 -0.02 0.00 -1.41 0.00 0.00 60.65 58.79 1pun s ILE 80 Cb -0.11 -1.24 0.03 0.00 0.13 0.00 0.00 42.46 41.27 1pun s ILE 80 CO 0.29 0.40 0.00 0.42 -1.91 0.00 0.00 174.94 174.14 1pun s THR 81 N -0.46 0.44 -0.25 4.00 -4.23 -0.14 -2.54 115.64 112.46 1pun s THR 81 Ca 0.07 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1pun s THR 81 Cb -0.07 -0.64 0.03 0.00 1.34 0.00 0.00 72.50 73.16 1pun s THR 81 CO -0.01 0.20 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.43 1pun s LEU 82 N 1.94 3.16 -0.24 4.79 1.43 0.45 0.16 118.68 130.36 1pun s LEU 82 Ca 0.04 -0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 52.08 1pun s LEU 82 Cb -0.13 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1pun s LEU 82 CO -0.06 -0.13 0.11 0.26 0.23 0.00 0.00 176.35 176.76 1pun s TRP 83 N 1.27 3.18 -0.21 0.29 0.52 0.18 0.22 118.94 124.41 1pun s TRP 83 Ca -0.01 -0.09 -0.11 0.00 0.02 0.00 0.00 56.10 55.91 1pun s TRP 83 Cb -0.17 -2.25 -0.05 0.00 -1.15 0.00 0.00 33.47 29.85 1pun s TRP 83 CO -0.05 -0.15 0.17 -0.06 0.02 0.00 0.00 176.95 176.87 1pun s PHE 84 N 1.34 3.39 -0.22 -1.98 0.40 0.37 0.16 117.98 121.44 1pun s PHE 84 Ca 0.06 0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 56.67 1pun s PHE 84 Cb -0.15 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.13 1pun s PHE 84 CO 0.05 0.22 0.05 -1.58 0.70 0.00 0.00 175.22 174.66 1pun s TRP 85 N 0.58 3.11 -0.78 0.36 0.52 0.29 -1.54 118.94 121.49 1pun s TRP 85 Ca 0.09 -0.29 -0.24 0.00 0.02 0.00 0.00 56.10 55.68 1pun s TRP 85 Cb -0.12 -2.16 0.05 0.00 -1.15 0.00 0.00 33.47 30.09 1pun s TRP 85 CO 0.01 -0.19 1.20 -1.17 0.02 0.00 0.00 176.95 176.82 1pun s LEU 86 N 1.14 3.73 0.43 2.99 2.96 0.48 -3.32 118.68 127.09 1pun s LEU 86 Ca 0.04 -0.91 -0.23 0.00 -0.22 0.00 0.00 54.13 52.81 1pun s LEU 86 Cb -0.14 -2.51 -0.08 0.00 0.50 0.00 0.00 46.19 43.96 1pun s LEU 86 CO 0.03 -1.60 1.09 -0.69 -1.32 0.00 0.00 176.35 173.85 1pun s VAL 87 N 4.87 3.51 -0.06 1.68 1.01 -1.15 -4.06 120.40 126.21 1pun s VAL 87 Ca 0.33 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.50 1pun s VAL 87 Cb -0.09 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 1pun s VAL 87 CO 0.07 -0.02 0.03 -0.62 0.00 0.00 0.00 175.10 174.56 1pun n GLU 88 N -0.29 2.82 -3.65 2.72 1.02 -0.74 -3.77 120.64 118.75 1pun n GLU 88 Ca 0.06 -0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.12 1pun n GLU 88 Cb 0.49 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.74 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 -2.17 1.30 -0.21 3.49 6.06 0.33 -4.10 118.95 123.65 1pun s ARG 89 Ca -0.03 -0.63 -0.09 0.00 -2.50 0.00 0.00 55.73 52.48 1pun s ARG 89 Cb 0.02 0.50 0.08 0.00 0.06 0.00 0.00 34.95 35.61 1pun s ARG 89 CO 0.25 -0.59 0.48 1.67 -2.50 0.00 0.00 175.30 174.61 1pun s TRP 90 N -3.53 -0.84 0.56 5.12 -2.14 -1.19 -0.14 118.94 116.78 1pun s TRP 90 Ca 0.08 1.62 -0.14 0.00 2.66 0.00 0.00 56.10 60.32 1pun s TRP 90 Cb -0.02 0.39 -0.06 0.00 -3.10 0.00 0.00 33.47 30.68 1pun s TRP 90 CO -0.02 -0.47 1.00 -1.21 -2.66 0.00 0.00 176.95 173.59 1pun s GLU 91 N 2.15 3.80 4.86 3.25 2.02 -1.17 -4.86 118.70 128.74 1pun s GLU 91 Ca -0.06 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.80 1pun s GLU 91 Cb -0.10 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1pun s GLU 91 CO -0.14 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1pun n GLY 92 N -2.08 2.76 3.52 -1.39 0.00 -1.26 -4.55 105.19 102.20 1pun n GLY 92 Ca 0.06 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 2.46 0.01 1.61 2.12 -1.26 -5.10 118.70 118.54 1pun s GLU 93 Ca 0.00 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 1pun s GLU 93 Cb 0.00 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.94 1pun s GLU 93 CO 0.00 0.60 1.13 -2.14 -0.54 0.00 0.00 175.26 174.31 1pun s PRO 94 N -1.11 4.45 0.18 4.30 0.02 -1.26 -4.62 135.00 136.96 1pun s PRO 94 Ca 0.14 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.79 1pun s PRO 94 Cb -0.11 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1pun s PRO 94 CO 0.04 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.80 1pun n TRP 95 N 4.21 -1.60 0.00 6.54 4.27 -0.01 -4.97 117.44 125.88 1pun n TRP 95 Ca 0.08 0.28 0.00 0.00 -3.89 0.00 0.00 57.50 53.98 1pun n TRP 95 Cb 0.48 0.54 0.00 0.00 -1.36 0.00 0.00 31.31 30.97 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 1.58 0.57 0.00 -1.67 0.00 0.22 -3.89 105.19 102.00 1pun n GLY 96 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.21 1.61 5.02 0.42 -4.68 118.16 120.31 1pun n LYS 97 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1pun n LYS 97 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 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 0.80 0.00 1.97 4.11 -1.71 -3.45 114.58 116.30 1pun h GLU 98 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.37 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 -1.22 4.28 2.82 1.06 0.00 -1.26 -4.98 105.19 105.89 1pun n GLY 99 Ca 0.04 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 1.07 0.44 1.61 1.11 -1.26 -4.99 119.66 117.63 1pun s GLN 100 Ca 0.00 -0.77 -0.23 0.00 0.01 0.00 0.00 55.36 54.37 1pun s GLN 100 Cb 0.00 -2.31 -0.11 0.00 -1.01 0.00 0.00 33.01 29.58 1pun s GLN 100 CO 0.00 -0.68 0.81 -2.30 0.01 0.00 0.00 175.29 173.13 1pun n PRO 101 N 4.85 0.96 -4.40 2.91 -0.02 -1.26 -4.47 135.00 133.58 1pun n PRO 101 Ca -0.09 0.35 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 1pun n PRO 101 Cb 0.45 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 32.02 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 -0.88 2.37 0.02 -1.23 0.00 -1.26 -4.05 107.32 102.29 1pun s GLY 102 Ca 0.65 -1.62 0.08 0.00 0.00 0.00 0.00 44.72 43.82 1pun s GLY 102 CO 0.56 -1.66 -0.23 -0.54 0.00 0.00 0.00 173.10 171.23 1pun s GLU 103 N -3.67 1.65 -0.36 2.90 0.41 -1.26 -4.89 118.70 113.49 1pun s GLU 103 Ca 0.32 -0.94 -0.28 0.00 -0.41 0.00 0.00 54.97 53.66 1pun s GLU 103 Cb 0.03 -1.72 -0.07 0.00 -1.78 0.00 0.00 34.13 30.59 1pun s GLU 103 CO 0.19 0.45 2.32 -2.67 -0.49 0.00 0.00 175.26 175.06 1pun n TRP 104 N 2.06 1.68 -4.49 1.61 4.27 -1.26 -3.46 117.44 117.85 1pun n TRP 104 Ca -0.16 0.02 -0.24 0.00 -3.89 0.00 0.00 57.50 53.22 1pun n TRP 104 Cb 0.53 -2.67 -0.10 0.00 -1.36 0.00 0.00 31.31 27.70 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 7.21 1.69 0.01 -2.67 0.23 -1.17 -4.79 119.30 119.82 1pun s MET 105 Ca 1.01 -1.84 -0.30 0.00 -1.03 0.00 0.00 55.69 53.53 1pun s MET 105 Cb -0.33 -1.56 -0.05 0.00 -1.53 0.00 0.00 34.83 31.36 1pun s MET 105 CO 0.33 0.16 1.23 0.45 -2.03 0.00 0.00 175.02 175.16 1pun s SER 106 N -3.53 7.04 0.43 -1.18 0.15 -1.26 0.13 113.70 115.47 1pun s SER 106 Ca 0.31 1.96 0.28 0.00 0.70 0.00 0.00 55.95 59.20 1pun s SER 106 Cb 0.01 -2.57 0.99 0.00 -1.71 0.00 0.00 66.02 62.74 1pun s SER 106 CO 0.14 -0.55 1.82 0.25 1.20 0.00 0.00 173.24 176.11 1pun h LEU 107 N 7.52 0.00 -0.14 3.45 7.12 -1.85 -3.19 115.31 128.22 1pun h LEU 107 Ca -0.38 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.63 1pun h LEU 107 Cb 1.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.32 1pun h LEU 107 CO 0.85 0.00 0.11 0.52 -0.13 0.00 0.00 178.44 179.79 1pun n VAL 108 N -2.82 1.48 -2.53 1.05 0.31 -1.26 -1.78 118.33 112.78 1pun n VAL 108 Ca 0.02 0.53 -0.20 0.00 -0.01 0.00 0.00 64.34 64.69 1pun n VAL 108 Cb 0.36 -1.53 0.01 0.00 -0.91 0.00 0.00 33.84 31.77 1pun n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pun n GLY 109 N -1.38 4.35 3.71 2.92 0.00 -1.21 -5.08 105.19 108.51 1pun n GLY 109 Ca -0.00 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.41 4.37 -0.38 0.99 1.98 -0.73 -4.97 118.68 116.53 1pun s LEU 110 Ca 0.40 2.75 -0.01 0.00 -2.89 0.00 0.00 54.13 54.39 1pun s LEU 110 Cb 0.42 -3.59 0.10 0.00 0.66 0.00 0.00 46.19 43.78 1pun s LEU 110 CO -0.09 -0.93 0.14 0.20 -1.89 0.00 0.00 176.35 173.78 1pun s ASN 111 N 1.46 5.08 0.30 3.68 0.02 -1.26 -4.82 114.94 119.40 1pun s ASN 111 Ca 0.74 -1.99 0.26 0.00 -1.02 0.00 0.00 52.86 50.85 1pun s ASN 111 Cb -0.47 -1.76 0.98 0.00 0.02 0.00 0.00 41.25 40.02 1pun s ASN 111 CO 0.32 -0.47 1.76 0.00 0.02 0.00 0.00 177.10 178.74 1pun h ALA 112 N 7.92 1.00 -0.00 0.60 0.00 -1.91 -2.93 119.26 123.93 1pun h ALA 112 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1pun h ALA 112 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1pun h ALA 112 CO 0.63 0.00 -0.79 0.38 0.00 0.00 0.00 179.25 179.47 1pun h ASP 113 N 0.00 0.09 -0.39 0.00 2.03 -1.96 -3.08 116.42 113.10 1pun h ASP 113 Ca 0.00 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1pun h ASP 113 Cb 0.50 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1pun h ASP 113 CO 0.00 0.84 0.00 0.47 -1.03 0.00 0.00 179.24 179.52 1pun n ASP 114 N -3.65 2.96 -4.58 4.15 8.00 -1.11 -4.94 116.55 117.38 1pun n ASP 114 Ca -0.02 -1.93 -0.25 0.00 0.71 0.00 0.00 54.79 53.30 1pun n ASP 114 Cb 0.76 -0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.49 2.46 0.28 1.24 -0.71 -1.17 -1.36 117.98 117.23 1pun s PHE 115 Ca 0.37 -0.47 -0.30 0.00 -1.04 0.00 0.00 56.93 55.49 1pun s PHE 115 Cb 0.21 -1.42 -0.13 0.00 -1.21 0.00 0.00 43.02 40.47 1pun s PHE 115 CO 0.29 0.54 1.34 -0.35 -1.34 0.00 0.00 175.22 175.70 1pun n PRO 116 N -0.86 2.01 0.20 1.99 -0.04 -0.75 -4.82 135.00 132.73 1pun n PRO 116 Ca -0.05 0.71 0.14 0.00 -0.04 0.00 0.00 63.50 64.27 1pun n PRO 116 Cb 0.63 -2.32 0.60 0.00 -0.04 0.00 0.00 33.50 32.37 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 3.51 0.00 -0.80 0.54 0.13 -1.88 -3.01 132.00 130.49 1pun h PRO 117 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1pun h PRO 117 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1pun h PRO 117 CO 0.70 0.00 0.34 0.00 -0.23 0.00 0.00 178.00 178.81 1pun h ALA 118 N 2.14 1.09 -0.01 -0.56 0.00 -1.99 -2.23 119.26 117.71 1pun h ALA 118 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pun h ALA 118 Cb 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1pun h ALA 118 CO 0.00 0.66 -0.24 -1.71 0.00 0.00 0.00 179.25 177.96 1pun n ASN 119 N -4.29 1.17 -0.07 0.00 5.15 -1.14 -4.27 115.26 111.81 1pun n ASN 119 Ca 0.07 -1.02 0.12 0.00 -0.60 0.00 0.00 54.58 53.15 1pun n ASN 119 Cb 0.17 0.14 0.50 0.00 -0.53 0.00 0.00 39.78 40.06 1pun n ASN 119 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1pun h GLU 120 N 1.46 0.39 -0.70 1.20 4.11 -1.37 -3.00 114.58 116.67 1pun h GLU 120 Ca 0.00 -0.02 0.13 0.00 0.07 0.00 0.00 59.36 59.54 1pun h GLU 120 Cb 0.53 -0.09 -0.13 0.00 0.50 0.00 0.00 28.75 29.56 1pun h GLU 120 CO 0.00 0.26 -0.24 -1.35 0.07 0.00 0.00 179.01 177.74 1pun h PRO 121 N 0.40 -0.05 0.00 1.06 0.11 -1.74 1.83 132.00 133.61 1pun h PRO 121 Ca 0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 1pun h PRO 121 Cb 0.52 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1pun h PRO 121 CO -0.07 -0.04 -0.01 -0.39 -0.21 0.00 0.00 178.00 177.29 1pun h VAL 122 N -0.05 1.05 -0.23 3.15 -1.51 -1.89 -3.33 116.25 113.43 1pun h VAL 122 Ca 0.31 -1.79 0.07 0.00 -1.23 0.00 0.00 66.70 64.06 1pun h VAL 122 Cb 0.55 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1pun h VAL 122 CO -0.74 0.35 0.19 0.40 -1.23 0.00 0.00 177.57 176.54 1pun h ILE 123 N -1.00 0.73 -0.29 7.19 1.08 -1.38 -1.30 117.51 122.54 1pun h ILE 123 Ca -0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1pun h ILE 123 Cb 0.58 0.87 -0.05 0.00 -3.07 0.00 0.00 36.82 35.15 1pun h ILE 123 CO -0.00 0.00 -0.02 0.00 -0.69 0.00 0.00 178.15 177.44 1pun h ALA 124 N 1.84 0.25 -0.35 1.87 0.00 0.27 2.22 119.26 125.37 1pun h ALA 124 Ca 0.11 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1pun h ALA 124 Cb 0.48 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1pun h ALA 124 CO -0.00 -0.42 -0.06 -0.22 0.00 0.00 0.00 179.25 178.55 1pun h LYS 125 N 0.07 0.03 0.11 0.00 3.11 -1.36 0.51 116.57 119.04 1pun h LYS 125 Ca 0.14 -0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.76 1pun h LYS 125 Cb 0.19 -0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.44 1pun h LYS 125 CO -0.25 0.02 -0.92 -0.07 -2.81 0.00 0.00 179.45 175.42 1pun h LEU 126 N 0.03 0.61 -0.89 5.20 4.07 -1.46 -3.32 115.31 119.56 1pun h LEU 126 Ca 0.17 -0.87 0.18 0.00 0.08 0.00 0.00 57.88 57.44 1pun h LEU 126 Cb 0.25 -0.20 -0.11 0.00 1.08 0.00 0.00 40.66 41.69 1pun h LEU 126 CO -0.34 1.43 0.45 0.50 -1.08 0.00 0.00 178.44 179.40 1pun h LYS 127 N -0.11 0.54 0.00 1.13 3.64 0.39 1.62 116.57 123.79 1pun h LYS 127 Ca -0.15 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1pun h LYS 127 Cb 1.67 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1pun h LYS 127 CO 0.17 0.36 0.00 -2.13 -2.27 0.00 0.00 179.45 175.58 1pun n ARG 128 N -4.92 0.01 -0.09 1.90 0.63 0.15 -4.95 116.66 109.39 1pun n ARG 128 Ca 0.20 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 1pun n ARG 128 Cb 0.54 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1pun n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40