#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pi0 s PRO 6 N 0.00 3.54 -0.10 1.64 0.04 -1.26 -5.02 135.00 133.84 2pi0 s PRO 6 Ca 0.00 2.23 -0.16 0.00 0.04 0.00 0.00 61.00 63.11 2pi0 s PRO 6 Cb 0.00 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 2pi0 s PRO 6 CO 0.00 -0.87 0.39 1.03 0.04 0.00 0.00 177.00 177.59 2pi0 s ARG 7 N -2.61 4.18 0.16 4.56 3.00 -1.26 -5.01 118.95 121.97 2pi0 s ARG 7 Ca 0.64 0.31 -0.22 0.00 0.00 0.00 0.00 55.73 56.47 2pi0 s ARG 7 Cb -0.40 -3.37 0.06 0.00 0.00 0.00 0.00 34.95 31.25 2pi0 s ARG 7 CO 0.49 0.34 1.62 0.97 0.00 0.00 0.00 175.30 178.72 2pi0 h ILE 8 N 4.42 0.32 0.12 1.52 2.10 -1.98 -0.84 117.51 123.17 2pi0 h ILE 8 Ca -0.44 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.49 2pi0 h ILE 8 Cb 1.19 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 2pi0 h ILE 8 CO 0.71 0.00 -0.06 -0.07 -1.08 0.00 0.00 178.15 177.66 2pi0 h LEU 9 N -0.22 -0.14 -1.33 2.19 3.38 -1.98 0.28 115.31 117.49 2pi0 h LEU 9 Ca 0.17 -0.30 0.17 0.00 0.09 0.00 0.00 57.88 58.02 2pi0 h LEU 9 Cb 0.49 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 2pi0 h LEU 9 CO -0.48 0.24 0.59 -0.65 0.09 0.00 0.00 178.44 178.22 2pi0 h PRO 10 N -0.53 0.58 -0.40 1.13 0.11 -1.99 -1.13 132.00 129.77 2pi0 h PRO 10 Ca -0.02 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 2pi0 h PRO 10 Cb 0.42 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 2pi0 h PRO 10 CO 0.03 0.38 -0.13 2.35 -0.21 0.00 0.00 178.00 180.42 2pi0 h TRP 11 N 0.60 0.80 0.02 0.65 7.01 -0.30 -2.53 115.95 122.20 2pi0 h TRP 11 Ca 0.47 -0.15 -0.25 0.00 2.11 0.00 0.00 58.89 61.08 2pi0 h TRP 11 Cb 0.91 -0.20 0.02 0.00 -2.10 0.00 0.00 29.16 27.79 2pi0 h TRP 11 CO -0.00 0.81 -0.97 1.25 -2.79 0.00 0.00 178.44 176.74 2pi0 h LEU 12 N 0.65 0.82 -1.09 0.65 5.85 0.36 -1.05 115.31 121.50 2pi0 h LEU 12 Ca 0.11 -0.76 0.04 0.00 0.84 0.00 0.00 57.88 58.11 2pi0 h LEU 12 Cb 0.60 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2pi0 h LEU 12 CO 0.04 1.48 0.62 0.58 -0.34 0.00 0.00 178.44 180.81 2pi0 h VAL 13 N 0.25 1.14 -0.25 1.05 2.07 -1.25 -0.79 116.25 118.48 2pi0 h VAL 13 Ca -0.13 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.87 2pi0 h VAL 13 Cb 1.65 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2pi0 h VAL 13 CO 0.19 0.21 -0.35 -1.28 0.02 0.00 0.00 177.57 176.36 2pi0 h SER 14 N 1.16 0.57 0.21 0.57 0.87 -1.22 0.97 113.55 116.68 2pi0 h SER 14 Ca 0.38 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 2pi0 h SER 14 Cb 0.05 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2pi0 h SER 14 CO -0.12 0.88 -0.34 1.56 -0.53 0.00 0.00 176.83 178.27 2pi0 h GLN 15 N 0.46 0.19 0.12 2.24 1.08 -0.76 -2.68 115.11 115.76 2pi0 h GLN 15 Ca 0.05 -0.08 -0.20 0.00 -1.45 0.00 0.00 58.65 56.97 2pi0 h GLN 15 Cb 0.83 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.26 2pi0 h GLN 15 CO 0.07 0.52 -0.95 -0.07 -0.95 0.00 0.00 178.83 177.45 2pi0 h LEU 16 N 0.17 0.40 -1.05 1.46 3.38 -0.74 -2.07 115.31 116.85 2pi0 h LEU 16 Ca 0.02 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.07 2pi0 h LEU 16 Cb 0.69 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 2pi0 h LEU 16 CO 0.05 1.44 0.51 0.44 0.09 0.00 0.00 178.44 180.97 2pi0 h ASP 17 N -0.42 1.03 0.82 -0.43 3.32 -0.96 -2.81 116.42 116.97 2pi0 h ASP 17 Ca -0.19 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 2pi0 h ASP 17 Cb 1.62 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 2pi0 h ASP 17 CO 0.10 0.79 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.94 2pi0 h LEU 18 N 1.18 0.00 0.81 1.55 3.38 -1.56 -3.48 115.31 117.19 2pi0 h LEU 18 Ca 0.31 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.00 2pi0 h LEU 18 Cb -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.60 2pi0 h LEU 18 CO -0.06 0.41 -0.25 0.61 0.09 0.00 0.00 178.44 179.24 2pi0 n GLY 19 N 0.24 1.29 1.95 0.83 0.00 -0.78 -4.84 105.19 103.88 2pi0 n GLY 19 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2pi0 n GLY 19 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2pi0 n GLN 20 N -1.55 4.37 -3.91 1.61 7.27 -1.26 -4.77 117.38 119.14 2pi0 n GLN 20 Ca -0.13 -3.10 -0.35 0.00 0.07 0.00 0.00 57.00 53.48 2pi0 n GLN 20 Cb 0.52 -2.25 -0.14 0.00 2.41 0.00 0.00 30.24 30.78 2pi0 n GLN 20 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2pi0 s LEU 21 N -2.84 3.65 -0.49 1.69 1.43 -1.26 -5.07 118.68 115.79 2pi0 s LEU 21 Ca 0.55 -1.07 -0.47 0.00 -1.03 0.00 0.00 54.13 52.11 2pi0 s LEU 21 Cb 0.43 -1.72 -0.20 0.00 0.03 0.00 0.00 46.19 44.73 2pi0 s LEU 21 CO 0.15 -0.21 1.61 -0.62 0.23 0.00 0.00 176.35 177.51 2pi0 n GLU 22 N 4.67 0.06 -1.19 1.70 -0.58 -1.26 -0.89 120.64 123.15 2pi0 n GLU 22 Ca -0.14 0.02 -0.07 0.00 -0.42 0.00 0.00 57.16 56.55 2pi0 n GLU 22 Cb 0.45 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.76 2pi0 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pi0 n GLY 23 N 4.02 0.85 3.15 0.62 0.00 -1.26 -4.76 105.19 107.81 2pi0 n GLY 23 Ca 0.31 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2pi0 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pi0 s VAL 24 N -2.09 2.82 0.01 1.61 1.01 -0.07 -3.56 120.40 120.13 2pi0 s VAL 24 Ca 0.00 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.30 2pi0 s VAL 24 Cb 0.00 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.78 2pi0 s VAL 24 CO 0.00 -0.12 0.47 0.00 0.00 0.00 0.00 175.10 175.46 2pi0 s ALA 25 N 1.21 -1.20 0.22 5.51 0.00 -1.05 -4.64 121.76 121.81 2pi0 s ALA 25 Ca -0.05 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 2pi0 s ALA 25 Cb -0.20 0.22 -0.09 0.00 0.00 0.00 0.00 23.12 23.05 2pi0 s ALA 25 CO -0.02 -0.41 1.31 -1.58 0.00 0.00 0.00 175.76 175.06 2pi0 s TRP 26 N -1.93 3.23 -0.07 0.00 0.52 -1.26 -0.72 118.94 118.70 2pi0 s TRP 26 Ca -0.08 1.25 0.10 0.00 0.02 0.00 0.00 56.10 57.39 2pi0 s TRP 26 Cb -0.02 -3.61 0.16 0.00 -1.15 0.00 0.00 33.47 28.85 2pi0 s TRP 26 CO 0.02 -1.88 1.05 1.55 0.02 0.00 0.00 176.95 177.71 2pi0 n VAL 27 N 2.35 1.21 -4.34 4.03 3.14 -0.69 -4.90 118.33 119.13 2pi0 n VAL 27 Ca 0.05 -1.41 -0.20 0.00 -2.96 0.00 0.00 64.34 59.82 2pi0 n VAL 27 Cb 0.43 0.13 -0.08 0.00 -1.06 0.00 0.00 33.84 33.25 2pi0 n VAL 27 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2pi0 s ASN 28 N -1.96 1.81 -0.15 6.55 3.84 -1.25 -4.95 114.94 118.84 2pi0 s ASN 28 Ca 0.17 -1.69 -0.06 0.00 0.21 0.00 0.00 52.86 51.49 2pi0 s ASN 28 Cb 0.15 0.52 -0.07 0.00 -0.55 0.00 0.00 41.25 41.30 2pi0 s ASN 28 CO 0.02 -1.00 -0.18 2.29 -2.79 0.00 0.00 177.10 175.44 2pi0 n LYS 29 N -0.66 0.33 0.00 0.43 2.85 -1.26 -4.48 118.16 115.37 2pi0 n LYS 29 Ca 0.03 0.13 0.02 0.00 -1.05 0.00 0.00 58.31 57.44 2pi0 n LYS 29 Cb 0.63 -1.09 0.12 0.00 -0.65 0.00 0.00 35.03 34.04 2pi0 n LYS 29 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2pi0 n SER 30 N -3.51 0.00 -4.11 -5.58 3.41 -1.26 -4.84 113.62 97.73 2pi0 n SER 30 Ca -0.29 -0.58 -0.43 0.00 -0.26 0.00 0.00 58.87 57.31 2pi0 n SER 30 Cb 0.72 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.67 2pi0 n SER 30 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2pi0 n ARG 31 N -0.68 -0.35 0.00 4.33 0.00 -1.26 -4.89 116.66 113.81 2pi0 n ARG 31 Ca 0.03 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2pi0 n ARG 31 Cb 0.01 -2.50 0.00 0.00 -0.00 0.00 0.00 32.46 29.98 2pi0 n ARG 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2pi0 n THR 32 N -4.85 0.00 -4.53 8.89 -2.24 -1.26 -4.98 114.28 105.32 2pi0 n THR 32 Ca -0.14 -0.30 -0.21 0.00 -2.27 0.00 0.00 64.05 61.12 2pi0 n THR 32 Cb 0.56 1.28 -0.14 0.00 -2.10 0.00 0.00 70.33 69.93 2pi0 n THR 32 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2pi0 s ARG 33 N -0.18 1.04 0.03 -0.78 3.52 -1.26 0.81 118.95 122.14 2pi0 s ARG 33 Ca 0.00 -0.58 -0.17 0.00 -0.13 0.00 0.00 55.73 54.85 2pi0 s ARG 33 Cb 0.00 -1.02 0.03 0.00 -1.56 0.00 0.00 34.95 32.40 2pi0 s ARG 33 CO 0.00 0.27 0.38 -0.59 -0.81 0.00 0.00 175.30 174.55 2pi0 s PHE 34 N -0.50 -0.23 0.12 5.12 -0.12 -0.21 -1.70 117.98 120.47 2pi0 s PHE 34 Ca 0.04 0.19 0.04 0.00 -0.05 0.00 0.00 56.93 57.15 2pi0 s PHE 34 Cb -0.06 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 2pi0 s PHE 34 CO 0.00 -0.54 0.11 -0.98 -0.05 0.00 0.00 175.22 173.76 2pi0 s ARG 35 N -2.33 2.89 -0.03 1.99 1.70 0.10 -0.13 118.95 123.14 2pi0 s ARG 35 Ca -0.06 -0.78 -0.01 0.00 -0.47 0.00 0.00 55.73 54.41 2pi0 s ARG 35 Cb -0.01 -2.68 0.03 0.00 -0.57 0.00 0.00 34.95 31.71 2pi0 s ARG 35 CO -0.01 0.52 0.05 0.42 -1.08 0.00 0.00 175.30 175.20 2pi0 s ILE 36 N -1.57 -0.06 0.20 4.99 1.01 0.11 -2.54 121.20 123.35 2pi0 s ILE 36 Ca 0.30 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 2pi0 s ILE 36 Cb -0.11 -0.11 -0.08 0.00 0.01 0.00 0.00 42.46 42.17 2pi0 s ILE 36 CO 0.23 0.08 0.98 -2.16 0.00 0.00 0.00 174.94 174.07 2pi0 s PRO 37 N 1.04 4.76 -0.51 2.79 0.04 -1.23 -0.55 135.00 141.34 2pi0 s PRO 37 Ca -0.09 1.54 0.07 0.00 0.04 0.00 0.00 61.00 62.57 2pi0 s PRO 37 Cb -0.12 -3.29 0.30 0.00 0.04 0.00 0.00 34.50 31.42 2pi0 s PRO 37 CO -0.03 0.35 0.75 1.87 0.04 0.00 0.00 177.00 179.98 2pi0 n TRP 38 N 1.89 2.18 -2.45 0.56 -0.00 0.21 -4.85 117.44 114.98 2pi0 n TRP 38 Ca -0.00 -3.91 -0.39 0.00 -0.00 0.00 0.00 57.50 53.19 2pi0 n TRP 38 Cb 0.47 -0.47 -0.04 0.00 -0.00 0.00 0.00 31.31 31.28 2pi0 n TRP 38 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 2pi0 s LYS 39 N -2.48 4.41 -0.63 5.87 0.00 -1.25 -4.42 119.74 121.24 2pi0 s LYS 39 Ca 0.41 1.75 -0.27 0.00 0.00 0.00 0.00 55.97 57.86 2pi0 s LYS 39 Cb 0.23 -2.93 0.01 0.00 0.00 0.00 0.00 37.83 35.14 2pi0 s LYS 39 CO -0.08 0.02 1.47 -1.58 0.00 0.00 0.00 175.35 175.18 2pi0 s HIS 40 N -1.33 2.14 -0.46 1.78 2.46 -1.26 -4.93 115.29 113.68 2pi0 s HIS 40 Ca 0.50 0.38 -0.20 0.00 0.47 0.00 0.00 55.06 56.21 2pi0 s HIS 40 Cb -0.29 -4.40 0.04 0.00 -0.13 0.00 0.00 32.58 27.79 2pi0 s HIS 40 CO 0.38 -2.09 0.63 0.20 -2.47 0.00 0.00 174.74 171.38 2pi0 s GLY 41 N 5.03 1.74 0.00 1.59 0.00 -1.26 -4.83 107.32 109.58 2pi0 s GLY 41 Ca 0.50 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2pi0 s GLY 41 CO 0.21 1.50 0.09 1.04 0.00 0.00 0.00 173.10 175.94 2pi0 n LEU 42 N 6.22 0.19 -0.08 0.66 7.99 -1.26 -4.92 117.00 125.79 2pi0 n LEU 42 Ca -0.04 -0.22 -0.15 0.00 -0.01 0.00 0.00 56.01 55.60 2pi0 n LEU 42 Cb 0.47 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.68 2pi0 n LEU 42 CO 0.53 0.05 -0.06 0.03 -1.51 0.00 0.00 177.39 176.43 2pi0 h ARG 43 N 0.00 0.00 0.00 3.23 -0.00 -2.04 -3.55 114.38 112.03 2pi0 h ARG 43 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2pi0 h ARG 43 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.25 2pi0 h ARG 43 CO 0.00 0.80 0.00 0.41 0.00 0.00 0.00 179.97 181.18 2pi0 n GLY 52 N 1.56 3.14 0.25 0.04 0.00 -1.26 -5.30 105.19 103.62 2pi0 n GLY 52 Ca -0.17 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 45.96 2pi0 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pi0 h ILE 53 N 0.00 0.00 -0.04 -0.61 2.10 -1.96 -0.67 117.51 116.33 2pi0 h ILE 53 Ca 0.00 -0.38 -0.15 0.00 1.08 0.00 0.00 64.86 65.40 2pi0 h ILE 53 Cb 0.00 1.30 0.01 0.00 -1.09 0.00 0.00 36.82 37.04 2pi0 h ILE 53 CO 0.00 0.00 -0.58 -0.26 -1.08 0.00 0.00 178.15 176.23 2pi0 h PHE 54 N 0.00 0.66 -0.23 2.19 0.04 -1.98 -2.65 116.94 114.97 2pi0 h PHE 54 Ca 0.00 -0.33 -0.14 0.00 2.80 0.00 0.00 57.97 60.30 2pi0 h PHE 54 Cb 0.41 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 2pi0 h PHE 54 CO 0.00 1.13 -0.44 0.37 -0.60 0.00 0.00 178.31 178.77 2pi0 h GLN 55 N 0.01 0.58 -0.03 1.51 4.15 -1.83 -2.23 115.11 117.26 2pi0 h GLN 55 Ca -0.06 -0.31 0.03 0.00 0.77 0.00 0.00 58.65 59.08 2pi0 h GLN 55 Cb 1.26 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.91 2pi0 h GLN 55 CO 0.12 0.91 -0.40 0.00 -1.93 0.00 0.00 178.83 177.53 2pi0 h ALA 56 N 1.05 -0.60 -0.49 3.38 0.00 -1.15 -0.07 119.26 121.37 2pi0 h ALA 56 Ca 0.03 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2pi0 h ALA 56 Cb 0.96 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 19.40 2pi0 h ALA 56 CO 0.09 -0.92 0.16 2.35 0.00 0.00 0.00 179.25 180.93 2pi0 h TRP 57 N -0.53 0.28 0.00 0.00 2.91 -1.47 0.30 115.95 117.43 2pi0 h TRP 57 Ca 0.06 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 2pi0 h TRP 57 Cb 0.63 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.22 2pi0 h TRP 57 CO -0.42 0.08 -0.22 0.00 -1.03 0.00 0.00 178.44 176.85 2pi0 h ALA 58 N 1.34 1.59 0.20 2.65 0.00 -0.84 -2.19 119.26 122.02 2pi0 h ALA 58 Ca 0.24 -0.20 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 2pi0 h ALA 58 Cb 0.27 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.05 2pi0 h ALA 58 CO -0.26 0.27 -1.33 0.93 0.00 0.00 0.00 179.25 178.86 2pi0 h GLU 59 N 0.00 0.43 -0.39 0.00 5.08 -0.72 -0.79 114.58 118.19 2pi0 h GLU 59 Ca -0.00 -0.74 0.11 0.00 -1.00 0.00 0.00 59.36 57.73 2pi0 h GLU 59 Cb 0.40 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2pi0 h GLU 59 CO 0.03 1.35 0.30 0.00 -1.00 0.00 0.00 179.01 179.69 2pi0 h ALA 60 N 0.11 2.30 -0.01 3.43 0.00 -0.42 -2.34 119.26 122.32 2pi0 h ALA 60 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2pi0 h ALA 60 Cb 1.98 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2pi0 h ALA 60 CO 0.21 -0.50 -0.49 0.25 0.00 0.00 0.00 179.25 178.72 2pi0 n THR 61 N -4.29 0.00 -0.35 0.00 -2.24 -0.87 -4.67 114.28 101.86 2pi0 n THR 61 Ca 0.06 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2pi0 n THR 61 Cb 0.48 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 2pi0 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pi0 n GLY 62 N 1.41 1.46 0.33 3.38 0.00 -0.88 -4.92 105.19 105.97 2pi0 n GLY 62 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 2pi0 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pi0 h ALA 63 N 0.00 1.43 -3.20 4.61 0.00 -1.62 -3.39 119.26 117.09 2pi0 h ALA 63 Ca 0.00 0.06 -0.54 0.00 0.00 0.00 0.00 54.91 54.43 2pi0 h ALA 63 Cb 0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 17.79 17.33 2pi0 h ALA 63 CO 0.00 0.04 -0.81 -0.47 0.00 0.00 0.00 179.25 178.01 2pi0 s TYR 64 N -5.95 1.60 -0.30 0.00 5.04 -0.38 -5.02 117.35 112.34 2pi0 s TYR 64 Ca -0.12 -0.80 -0.04 0.00 -2.44 0.00 0.00 57.07 53.67 2pi0 s TYR 64 Cb 0.22 -1.28 0.03 0.00 0.35 0.00 0.00 41.96 41.29 2pi0 s TYR 64 CO 0.79 -0.51 0.04 0.08 -1.34 0.00 0.00 175.55 174.61 2pi0 s VAL 65 N 1.52 3.45 0.05 3.14 1.01 -1.26 -4.12 120.40 124.19 2pi0 s VAL 65 Ca 0.02 -1.05 -0.31 0.00 0.00 0.00 0.00 61.98 60.64 2pi0 s VAL 65 Cb -0.13 -2.87 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 2pi0 s VAL 65 CO -0.07 -0.01 1.91 -0.81 0.00 0.00 0.00 175.10 176.12 2pi0 n PRO 66 N 4.75 2.75 0.00 2.72 -0.04 -1.26 -2.33 135.00 141.58 2pi0 n PRO 66 Ca -0.14 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 2pi0 n PRO 66 Cb 0.46 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 2pi0 n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pi0 n GLY 67 N 4.41 3.33 0.19 0.55 0.00 -1.26 -4.84 105.19 107.58 2pi0 n GLY 67 Ca 0.20 -1.04 0.07 0.00 0.00 0.00 0.00 46.02 45.25 2pi0 n GLY 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pi0 h ARG 68 N 0.00 0.00 -5.21 1.61 2.43 -1.91 -3.48 114.38 107.82 2pi0 h ARG 68 Ca 0.00 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.79 2pi0 h ARG 68 Cb 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.35 2pi0 h ARG 68 CO 0.00 0.31 -0.76 -0.51 -1.51 0.00 0.00 179.97 177.50 2pi0 s ASP 69 N -6.29 1.65 0.07 -3.80 1.01 -1.09 -5.03 116.67 103.18 2pi0 s ASP 69 Ca 0.02 -0.72 -0.30 0.00 0.71 0.00 0.00 52.55 52.26 2pi0 s ASP 69 Cb 0.09 -0.03 -0.06 0.00 1.01 0.00 0.00 42.92 43.93 2pi0 s ASP 69 CO 0.68 -0.16 1.17 -1.59 0.21 0.00 0.00 175.17 175.48 2pi0 s LYS 70 N -2.28 4.47 0.29 8.23 -2.85 -1.26 -4.86 119.74 121.47 2pi0 s LYS 70 Ca 0.03 1.73 -0.29 0.00 -1.00 0.00 0.00 55.97 56.44 2pi0 s LYS 70 Cb -0.07 -3.35 -0.10 0.00 -2.06 0.00 0.00 37.83 32.26 2pi0 s LYS 70 CO 0.02 -0.19 1.34 -2.14 0.10 0.00 0.00 175.35 174.47 2pi0 s PRO 71 N 0.85 4.34 -0.41 1.78 0.02 -1.26 -4.98 135.00 135.34 2pi0 s PRO 71 Ca 0.57 2.22 0.08 0.00 0.02 0.00 0.00 61.00 63.89 2pi0 s PRO 71 Cb -0.29 -3.10 0.27 0.00 0.02 0.00 0.00 34.50 31.41 2pi0 s PRO 71 CO 0.30 -0.25 0.68 -3.47 -0.33 0.00 0.00 177.00 173.92 2pi0 n ASP 72 N 1.41 -0.45 0.07 2.53 2.03 -1.26 -5.01 116.55 115.88 2pi0 n ASP 72 Ca 0.02 -2.94 0.05 0.00 0.52 0.00 0.00 54.79 52.44 2pi0 n ASP 72 Cb 0.41 0.01 0.48 0.00 -0.72 0.00 0.00 41.12 41.31 2pi0 n ASP 72 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2pi0 h LEU 73 N 3.72 0.34 -0.20 -2.67 5.85 -2.00 -1.33 115.31 119.03 2pi0 h LEU 73 Ca 0.02 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2pi0 h LEU 73 Cb 0.94 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2pi0 h LEU 73 CO 0.42 0.25 0.11 -0.65 -0.34 0.00 0.00 178.44 178.23 2pi0 h PRO 74 N 0.39 0.22 -0.42 5.25 0.11 -1.95 -2.35 132.00 133.27 2pi0 h PRO 74 Ca 0.11 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.26 2pi0 h PRO 74 Cb -0.03 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 30.98 2pi0 h PRO 74 CO -0.02 0.15 0.13 1.15 -0.21 0.00 0.00 178.00 179.20 2pi0 h THR 75 N 0.23 0.84 -0.98 -1.15 2.02 -1.69 -0.02 112.91 112.17 2pi0 h THR 75 Ca 0.08 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.25 2pi0 h THR 75 Cb -0.00 0.54 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 2pi0 h THR 75 CO -0.04 0.05 0.63 -0.50 0.37 0.00 0.00 175.52 176.03 2pi0 h TRP 76 N 0.28 1.14 -0.32 3.16 6.55 -1.43 0.49 115.95 125.83 2pi0 h TRP 76 Ca 0.20 0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.96 2pi0 h TRP 76 Cb 0.20 -0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 28.13 2pi0 h TRP 76 CO -0.17 0.54 -0.21 -0.22 -1.05 0.00 0.00 178.44 177.33 2pi0 h LYS 77 N 1.07 0.70 0.78 0.49 3.64 -0.90 -1.52 116.57 120.84 2pi0 h LYS 77 Ca 0.45 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2pi0 h LYS 77 Cb 0.31 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2pi0 h LYS 77 CO -0.20 0.94 -0.43 0.00 -2.27 0.00 0.00 179.45 177.49 2pi0 h ARG 78 N 0.46 -1.08 -0.70 1.90 3.08 0.01 0.16 114.38 118.22 2pi0 h ARG 78 Ca 0.06 0.07 0.14 0.00 0.07 0.00 0.00 59.98 60.33 2pi0 h ARG 78 Cb 0.76 0.25 -0.10 0.00 0.08 0.00 0.00 29.97 30.96 2pi0 h ARG 78 CO 0.06 -0.72 0.19 -0.91 -1.07 0.00 0.00 179.97 177.51 2pi0 h ASN 79 N -1.13 0.06 0.12 7.04 4.21 -0.11 0.32 115.58 126.09 2pi0 h ASN 79 Ca -0.11 0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 2pi0 h ASN 79 Cb 0.88 0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 2pi0 h ASN 79 CO 0.14 0.01 -0.06 0.15 -1.29 0.00 0.00 177.43 176.38 2pi0 h PHE 80 N 0.30 -0.15 -0.84 1.19 3.57 -1.16 -0.40 116.94 119.46 2pi0 h PHE 80 Ca 0.38 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.02 2pi0 h PHE 80 Cb 0.61 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 2pi0 h PHE 80 CO -0.24 0.13 0.55 -0.09 -2.23 0.00 0.00 178.31 176.42 2pi0 h ARG 81 N -0.42 0.61 -0.12 1.11 2.43 -0.35 -2.55 114.38 115.09 2pi0 h ARG 81 Ca -0.02 -0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 58.88 2pi0 h ARG 81 Cb 0.34 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2pi0 h ARG 81 CO 0.03 0.40 -0.85 0.77 -1.51 0.00 0.00 179.97 178.81 2pi0 h SER 82 N 0.62 0.95 0.03 -3.80 0.02 -0.67 -1.51 113.55 109.19 2pi0 h SER 82 Ca 0.41 -0.66 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2pi0 h SER 82 Cb 0.71 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 2pi0 h SER 82 CO -0.17 1.46 -0.33 0.00 -1.14 0.00 0.00 176.83 176.64 2pi0 h ALA 83 N 0.51 -0.51 -0.38 3.77 0.00 -0.93 -3.00 119.26 118.72 2pi0 h ALA 83 Ca -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2pi0 h ALA 83 Cb 1.48 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.83 2pi0 h ALA 83 CO 0.17 -0.85 0.13 -0.07 0.00 0.00 0.00 179.25 178.63 2pi0 h LEU 84 N -0.50 0.49 -1.66 0.00 3.38 -1.43 -1.50 115.31 114.09 2pi0 h LEU 84 Ca 0.05 -0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2pi0 h LEU 84 Cb 0.57 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 2pi0 h LEU 84 CO -0.26 0.46 0.56 0.78 0.09 0.00 0.00 178.44 180.08 2pi0 h ASN 85 N 0.54 0.29 0.67 -0.43 2.35 -1.13 -2.74 115.58 115.12 2pi0 h ASN 85 Ca 0.13 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2pi0 h ASN 85 Cb 0.14 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2pi0 h ASN 85 CO -0.01 0.13 -0.46 0.54 -1.65 0.00 0.00 177.43 175.97 2pi0 n ARG 86 N -4.45 0.08 -2.72 0.81 1.74 -0.57 -4.87 116.66 106.68 2pi0 n ARG 86 Ca 0.17 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.85 2pi0 n ARG 86 Cb 0.70 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 2pi0 n ARG 86 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2pi0 s LYS 87 N -3.04 4.25 0.48 5.56 -0.14 -1.04 -5.02 119.74 120.79 2pi0 s LYS 87 Ca 0.10 1.26 -0.21 0.00 -1.36 0.00 0.00 55.97 55.76 2pi0 s LYS 87 Cb 0.17 -3.64 -0.07 0.00 -1.68 0.00 0.00 37.83 32.60 2pi0 s LYS 87 CO 0.68 -0.59 1.11 -1.83 -0.76 0.00 0.00 175.35 173.96 2pi0 s GLU 88 N 3.07 3.70 -0.72 1.68 -1.05 -1.26 -3.43 118.70 120.69 2pi0 s GLU 88 Ca 0.42 1.61 0.00 0.00 -0.15 0.00 0.00 54.97 56.85 2pi0 s GLU 88 Cb -0.15 -2.24 0.00 0.00 -0.44 0.00 0.00 34.13 31.30 2pi0 s GLU 88 CO 0.07 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.12 2pi0 n GLY 89 N 0.21 0.67 2.88 -3.83 0.00 -1.26 -5.02 105.19 98.84 2pi0 n GLY 89 Ca 0.09 -0.68 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 2pi0 n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pi0 s LEU 90 N -1.78 1.56 -0.00 0.99 2.96 -1.22 -3.04 118.68 118.15 2pi0 s LEU 90 Ca 0.00 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2pi0 s LEU 90 Cb 0.00 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.43 2pi0 s LEU 90 CO 0.00 -0.03 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.29 2pi0 s ARG 91 N 0.52 0.84 -0.37 1.98 3.52 -0.41 -4.89 118.95 120.14 2pi0 s ARG 91 Ca -0.05 -0.43 -0.29 0.00 -0.13 0.00 0.00 55.73 54.83 2pi0 s ARG 91 Cb -0.09 -0.81 0.02 0.00 -1.56 0.00 0.00 34.95 32.51 2pi0 s ARG 91 CO -0.01 0.22 1.16 -1.17 -0.81 0.00 0.00 175.30 174.69 2pi0 s LEU 92 N -0.39 3.82 0.01 -0.88 2.96 -1.26 0.18 118.68 123.10 2pi0 s LEU 92 Ca 0.03 0.90 0.20 0.00 -0.22 0.00 0.00 54.13 55.05 2pi0 s LEU 92 Cb -0.05 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.88 2pi0 s LEU 92 CO -0.00 -1.06 0.59 0.00 -1.32 0.00 0.00 176.35 174.56 2pi0 n ALA 93 N 7.41 2.36 -3.62 5.97 0.00 0.36 -4.94 120.51 128.05 2pi0 n ALA 93 Ca 0.13 -0.61 -0.04 0.00 0.00 0.00 0.00 53.44 52.93 2pi0 n ALA 93 Cb 0.48 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 2pi0 n ALA 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2pi0 s GLU 94 N -3.20 0.59 -0.61 0.00 -1.05 -0.78 -4.97 118.70 108.67 2pi0 s GLU 94 Ca -0.06 1.19 -0.10 0.00 -0.15 0.00 0.00 54.97 55.85 2pi0 s GLU 94 Cb 0.11 0.41 0.16 0.00 -0.44 0.00 0.00 34.13 34.36 2pi0 s GLU 94 CO 0.85 -0.15 0.50 0.34 0.95 0.00 0.00 175.26 177.76 2pi0 s ASP 95 N 2.09 5.97 -0.41 0.83 3.68 -1.26 -0.45 116.67 127.13 2pi0 s ASP 95 Ca -0.08 -2.31 0.05 0.00 2.13 0.00 0.00 52.55 52.34 2pi0 s ASP 95 Cb -0.07 -2.06 0.47 0.00 -1.45 0.00 0.00 42.92 39.81 2pi0 s ASP 95 CO -0.19 -0.62 1.53 0.54 0.13 0.00 0.00 175.17 176.56 2pi0 n ARG 96 N 4.40 2.85 0.07 4.34 5.12 0.26 -4.56 116.66 129.14 2pi0 n ARG 96 Ca 0.01 -3.63 0.12 0.00 -1.93 0.00 0.00 57.85 52.41 2pi0 n ARG 96 Cb 0.42 -2.16 0.46 0.00 -1.16 0.00 0.00 32.46 30.02 2pi0 n ARG 96 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2pi0 n SER 97 N -0.89 0.45 -0.77 0.55 3.41 -0.75 -0.52 113.62 115.10 2pi0 n SER 97 Ca 0.47 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.73 2pi0 n SER 97 Cb 0.91 -0.68 0.16 0.00 -0.26 0.00 0.00 64.21 64.34 2pi0 n SER 97 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2pi0 n LYS 98 N -1.95 2.22 -2.14 4.33 5.02 -1.26 -4.65 118.16 119.73 2pi0 n LYS 98 Ca 0.05 -1.94 -0.42 0.00 -2.02 0.00 0.00 58.31 53.97 2pi0 n LYS 98 Cb 0.31 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 2pi0 n LYS 98 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2pi0 s ASP 99 N -1.09 6.79 0.49 4.39 1.47 -1.17 -4.93 116.67 122.63 2pi0 s ASP 99 Ca 0.26 2.36 0.14 0.00 1.18 0.00 0.00 52.55 56.49 2pi0 s ASP 99 Cb 0.15 -2.59 1.18 0.00 -0.34 0.00 0.00 42.92 41.32 2pi0 s ASP 99 CO 0.20 -0.68 2.13 -0.65 0.68 0.00 0.00 175.17 176.85 2pi0 h PRO 100 N 6.88 0.13 0.00 2.11 0.11 -1.92 -3.32 132.00 135.98 2pi0 h PRO 100 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2pi0 h PRO 100 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2pi0 h PRO 100 CO 0.87 0.08 -0.18 0.72 -0.21 0.00 0.00 178.00 179.29 2pi0 n HIS 101 N -4.52 0.07 -3.57 0.65 8.25 -1.26 -4.75 115.22 110.08 2pi0 n HIS 101 Ca -0.01 0.03 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 2pi0 n HIS 101 Cb 0.09 -0.19 -0.07 0.00 1.12 0.00 0.00 29.99 30.95 2pi0 n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2pi0 n ASP 102 N -2.86 4.18 -4.66 0.41 2.03 -1.26 -5.05 116.55 109.33 2pi0 n ASP 102 Ca -0.02 -3.24 -0.43 0.00 0.52 0.00 0.00 54.79 51.61 2pi0 n ASP 102 Cb 0.09 -0.95 -0.03 0.00 -0.72 0.00 0.00 41.12 39.51 2pi0 n ASP 102 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2pi0 n PRO 103 N 1.84 2.77 -3.57 -0.67 -0.02 -1.25 -4.89 135.00 129.21 2pi0 n PRO 103 Ca 0.24 1.01 -0.10 0.00 -2.02 0.00 0.00 63.50 62.63 2pi0 n PRO 103 Cb 0.37 -2.95 -0.02 0.00 -0.02 0.00 0.00 33.50 30.87 2pi0 n PRO 103 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2pi0 s HIS 104 N 4.41 -0.41 0.05 6.00 -3.43 0.32 -0.62 115.29 121.61 2pi0 s HIS 104 Ca 0.90 0.12 0.06 0.00 -0.80 0.00 0.00 55.06 55.33 2pi0 s HIS 104 Cb -0.48 0.58 -0.03 0.00 -1.43 0.00 0.00 32.58 31.23 2pi0 s HIS 104 CO 0.44 -0.96 -0.16 0.15 -2.00 0.00 0.00 174.74 172.21 2pi0 s LYS 105 N -3.81 1.04 -0.19 -0.38 1.02 0.29 -0.57 119.74 117.14 2pi0 s LYS 105 Ca 0.04 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 2pi0 s LYS 105 Cb -0.02 -1.10 -0.02 0.00 -0.52 0.00 0.00 37.83 36.17 2pi0 s LYS 105 CO -0.07 0.27 -0.05 0.42 -0.92 0.00 0.00 175.35 175.00 2pi0 s ILE 106 N -0.94 3.52 0.38 2.17 1.09 0.41 -0.71 121.20 127.12 2pi0 s ILE 106 Ca 0.03 -0.46 0.08 0.00 -1.10 0.00 0.00 60.65 59.19 2pi0 s ILE 106 Cb -0.09 -2.57 -0.03 0.00 -1.06 0.00 0.00 42.46 38.71 2pi0 s ILE 106 CO 0.02 0.45 0.25 -0.31 -0.10 0.00 0.00 174.94 175.25 2pi0 s TYR 107 N 1.01 2.72 -0.18 3.97 1.51 0.82 0.14 117.35 127.33 2pi0 s TYR 107 Ca 0.00 -0.45 -0.06 0.00 -1.01 0.00 0.00 57.07 55.55 2pi0 s TYR 107 Cb -0.15 -1.92 0.08 0.00 -0.11 0.00 0.00 41.96 39.87 2pi0 s TYR 107 CO 0.00 0.12 0.38 -2.00 -1.11 0.00 0.00 175.55 172.95 2pi0 s GLU 108 N -3.98 0.28 -0.03 -0.62 2.12 0.13 -1.04 118.70 115.57 2pi0 s GLU 108 Ca 0.42 0.94 -0.30 0.00 0.36 0.00 0.00 54.97 56.40 2pi0 s GLU 108 Cb -0.02 0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.54 2pi0 s GLU 108 CO 0.25 -0.25 1.48 -0.06 -0.54 0.00 0.00 175.26 176.14 2pi0 s PHE 109 N 2.47 2.58 0.00 5.30 0.08 0.24 -1.29 117.98 127.36 2pi0 s PHE 109 Ca -0.02 0.62 0.00 0.00 0.12 0.00 0.00 56.93 57.66 2pi0 s PHE 109 Cb -0.12 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 2pi0 s PHE 109 CO -0.12 -2.88 0.42 1.33 -0.10 0.00 0.00 175.22 173.87