#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cpi s GLN 2 N 0.00 3.31 -0.21 0.54 0.74 -1.26 -5.11 119.66 117.68 1cpi s GLN 2 Ca 0.00 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 1cpi s GLN 2 Cb 0.00 -2.68 0.01 0.00 1.10 0.00 0.00 33.01 31.44 1cpi s GLN 2 CO 0.00 0.07 -0.12 0.42 -0.55 0.00 0.00 175.29 175.11 1cpi s ILE 3 N 0.71 2.69 0.76 -2.34 1.01 -1.26 -5.11 121.20 117.65 1cpi s ILE 3 Ca -0.06 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.70 1cpi s ILE 3 Cb -0.15 -2.21 0.05 0.00 0.01 0.00 0.00 42.46 40.15 1cpi s ILE 3 CO 0.02 0.44 1.11 0.42 0.00 0.00 0.00 174.94 176.93 1cpi s THR 4 N 1.37 3.06 -0.20 2.92 -4.23 -1.26 -5.01 115.64 112.29 1cpi s THR 4 Ca 0.05 0.35 0.16 0.00 -1.18 0.00 0.00 61.69 61.06 1cpi s THR 4 Cb -0.14 -3.25 0.54 0.00 1.34 0.00 0.00 72.50 70.99 1cpi s THR 4 CO -0.08 -0.45 1.45 0.18 -0.54 0.00 0.00 174.62 175.18 1cpi n LEU 5 N -3.22 4.05 -0.10 4.79 4.32 -1.26 -4.52 117.00 121.06 1cpi n LEU 5 Ca 0.07 -3.10 -0.01 0.00 -0.02 0.00 0.00 56.01 52.95 1cpi n LEU 5 Cb 0.58 -0.57 0.25 0.00 -1.62 0.00 0.00 43.42 42.06 1cpi n LEU 5 CO 0.57 0.73 1.04 -0.50 -1.22 0.00 0.00 177.39 178.01 1cpi h TRP 6 N 1.81 0.76 -1.91 -1.77 4.06 -2.06 -3.42 115.95 113.42 1cpi h TRP 6 Ca 0.03 -0.04 -0.61 0.00 2.06 0.00 0.00 58.89 60.32 1cpi h TRP 6 Cb 1.52 -0.23 -0.13 0.00 -1.00 0.00 0.00 29.16 29.32 1cpi h TRP 6 CO 0.59 0.61 -0.66 -0.65 -3.56 0.00 0.00 178.44 174.77 1cpi s GLN 7 N -5.31 1.88 0.29 0.49 1.11 -1.26 -5.09 119.66 111.77 1cpi s GLN 7 Ca -0.09 -1.92 -0.30 0.00 0.01 0.00 0.00 55.36 53.06 1cpi s GLN 7 Cb 0.16 -1.74 -0.12 0.00 -1.01 0.00 0.00 33.01 30.30 1cpi s GLN 7 CO 0.78 0.12 1.55 0.54 0.01 0.00 0.00 175.29 178.29 1cpi n ARG 8 N -0.84 2.57 -2.00 2.91 1.74 -1.26 -4.85 116.66 114.92 1cpi n ARG 8 Ca -0.05 0.91 -0.39 0.00 -0.77 0.00 0.00 57.85 57.56 1cpi n ARG 8 Cb 0.64 -2.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.39 1cpi n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1cpi n PRO 9 N 1.93 2.38 -3.46 5.56 -0.04 -1.26 -4.93 135.00 135.18 1cpi n PRO 9 Ca 0.08 -2.66 -0.37 0.00 -0.04 0.00 0.00 63.50 60.51 1cpi n PRO 9 Cb 0.36 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.34 1cpi n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cpi s LEU 10 N 5.11 4.31 0.21 1.53 1.02 -1.26 -1.09 118.68 128.51 1cpi s LEU 10 Ca 0.57 0.72 0.01 0.00 0.02 0.00 0.00 54.13 55.45 1cpi s LEU 10 Cb 0.07 -2.53 -0.05 0.00 0.02 0.00 0.00 46.19 43.70 1cpi s LEU 10 CO 0.07 0.13 0.07 0.68 0.02 0.00 0.00 176.35 177.31 1cpi s VAL 11 N 0.11 0.45 -0.14 -1.59 -7.23 0.33 -4.92 120.40 107.41 1cpi s VAL 11 Ca 0.22 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 1cpi s VAL 11 Cb -0.15 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1cpi s VAL 11 CO 0.08 -0.20 0.45 -0.89 -0.31 0.00 0.00 175.10 174.24 1cpi s THR 12 N -3.83 5.19 0.31 5.32 2.01 -1.26 -0.28 115.64 123.11 1cpi s THR 12 Ca 0.32 0.88 0.10 0.00 0.31 0.00 0.00 61.69 63.30 1cpi s THR 12 Cb 0.07 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 1cpi s THR 12 CO 0.09 0.30 -0.14 0.27 -0.69 0.00 0.00 174.62 174.46 1cpi s ILE 13 N 0.83 2.30 -0.07 1.82 -4.36 0.60 -4.68 121.20 117.64 1cpi s ILE 13 Ca 0.24 -2.28 0.03 0.00 -0.26 0.00 0.00 60.65 58.37 1cpi s ILE 13 Cb -0.15 -2.49 0.01 0.00 1.25 0.00 0.00 42.46 41.08 1cpi s ILE 13 CO 0.09 -0.29 -0.15 -0.60 0.24 0.00 0.00 174.94 174.23 1cpi s ARG 14 N -3.58 1.93 -0.17 0.37 3.52 0.28 0.02 118.95 121.32 1cpi s ARG 14 Ca 0.31 -0.51 -0.13 0.00 -0.13 0.00 0.00 55.73 55.27 1cpi s ARG 14 Cb -0.01 -1.56 0.05 0.00 -1.56 0.00 0.00 34.95 31.87 1cpi s ARG 14 CO 0.15 0.07 0.44 -1.50 -0.81 0.00 0.00 175.30 173.65 1cpi s ILE 15 N 0.55 -0.01 -1.49 4.11 2.07 0.41 -0.96 121.20 125.89 1cpi s ILE 15 Ca -0.14 0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.07 1cpi s ILE 15 Cb -0.16 -0.62 0.02 0.00 0.13 0.00 0.00 42.46 41.83 1cpi s ILE 15 CO 0.04 0.01 0.55 0.61 -1.91 0.00 0.00 174.94 174.24 1cpi n GLY 16 N 3.31 -0.51 3.95 1.50 0.00 -1.26 -0.71 105.19 111.45 1cpi n GLY 16 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1cpi n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpi n GLY 17 N -1.41 2.84 3.83 -0.02 0.00 -1.26 -4.98 105.19 104.20 1cpi n GLY 17 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1cpi n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cpi s GLN 18 N 0.00 4.14 -0.12 1.61 -0.21 0.11 -5.07 119.66 120.13 1cpi s GLN 18 Ca 0.00 0.90 -0.03 0.00 0.02 0.00 0.00 55.36 56.24 1cpi s GLN 18 Cb 0.00 -2.40 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 1cpi s GLN 18 CO 0.00 0.11 0.01 -1.17 -2.12 0.00 0.00 175.29 172.12 1cpi s LEU 19 N -2.92 3.58 0.24 2.90 2.96 -1.26 -0.44 118.68 123.75 1cpi s LEU 19 Ca 0.56 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1cpi s LEU 19 Cb -0.11 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1cpi s LEU 19 CO 0.16 0.30 0.24 -0.54 -1.32 0.00 0.00 176.35 175.19 1cpi s LYS 20 N -0.40 1.41 -0.17 1.98 1.02 0.10 -4.96 119.74 118.72 1cpi s LYS 20 Ca 0.08 -1.65 -0.02 0.00 0.02 0.00 0.00 55.97 54.40 1cpi s LYS 20 Cb -0.12 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1cpi s LYS 20 CO 0.02 -0.51 -0.08 -2.00 -0.92 0.00 0.00 175.35 171.87 1cpi s GLU 21 N -3.93 3.46 0.02 1.68 2.56 -1.26 -0.29 118.70 120.94 1cpi s GLU 21 Ca 0.36 -0.62 0.01 0.00 0.00 0.00 0.00 54.97 54.71 1cpi s GLU 21 Cb 0.04 -2.84 -0.02 0.00 2.00 0.00 0.00 34.13 33.31 1cpi s GLU 21 CO 0.15 0.08 -0.04 0.00 -0.56 0.00 0.00 175.26 174.88 1cpi s ALA 22 N 0.75 0.22 -0.11 6.30 0.00 0.61 -4.45 121.76 125.08 1cpi s ALA 22 Ca -0.03 -0.63 -0.23 0.00 0.00 0.00 0.00 51.96 51.07 1cpi s ALA 22 Cb -0.15 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1cpi s ALA 22 CO 0.02 -0.13 0.71 -1.17 0.00 0.00 0.00 175.76 175.19 1cpi s LEU 23 N -1.48 4.26 -0.44 0.00 2.96 0.02 -0.51 118.68 123.49 1cpi s LEU 23 Ca -0.15 1.11 -0.29 0.00 -0.22 0.00 0.00 54.13 54.59 1cpi s LEU 23 Cb -0.10 -3.07 0.03 0.00 0.50 0.00 0.00 46.19 43.55 1cpi s LEU 23 CO -0.01 -0.20 1.11 -0.76 -1.32 0.00 0.00 176.35 175.18 1cpi s LEU 24 N 1.26 3.73 -0.31 -0.68 1.02 -0.25 -0.70 118.68 122.75 1cpi s LEU 24 Ca 0.36 0.60 0.02 0.00 0.02 0.00 0.00 54.13 55.12 1cpi s LEU 24 Cb -0.17 -3.53 0.08 0.00 0.02 0.00 0.00 46.19 42.59 1cpi s LEU 24 CO 0.15 -1.15 0.00 -0.62 0.02 0.00 0.00 176.35 174.75 1cpi s ASP 25 N 2.25 4.74 0.19 2.29 2.15 0.04 -4.80 116.67 123.52 1cpi s ASP 25 Ca 0.47 -1.70 0.22 0.00 0.43 0.00 0.00 52.55 51.97 1cpi s ASP 25 Cb -0.08 -1.64 0.90 0.00 -0.30 0.00 0.00 42.92 41.79 1cpi s ASP 25 CO 0.27 -0.31 1.67 0.35 -0.17 0.00 0.00 175.17 176.99 1cpi n THR 26 N 4.43 0.81 0.14 1.71 -2.24 -1.26 -2.32 114.28 115.55 1cpi n THR 26 Ca -0.07 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 61.99 1cpi n THR 26 Cb 0.42 -1.05 0.26 0.00 -2.10 0.00 0.00 70.33 67.86 1cpi n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cpi n GLY 27 N 0.17 1.74 3.34 3.38 0.00 -1.26 -4.86 105.19 107.71 1cpi n GLY 27 Ca 0.03 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1cpi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cpi s ALA 28 N -1.23 2.81 0.29 4.61 0.00 -0.98 -4.99 121.76 122.28 1cpi s ALA 28 Ca 0.39 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1cpi s ALA 28 Cb 0.21 -1.62 0.44 0.00 0.00 0.00 0.00 23.12 22.15 1cpi s ALA 28 CO 0.27 -0.26 1.69 -0.44 0.00 0.00 0.00 175.76 177.02 1cpi h ASP 29 N 7.75 0.25 -1.71 0.00 3.32 -1.89 -1.48 116.42 122.66 1cpi h ASP 29 Ca -0.38 -0.11 -0.61 0.00 0.02 0.00 0.00 57.03 55.95 1cpi h ASP 29 Cb 1.17 -0.07 -0.13 0.00 0.22 0.00 0.00 39.33 40.52 1cpi h ASP 29 CO 0.60 0.65 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.38 1cpi s ASP 30 N -6.88 3.61 -0.21 6.45 1.01 -1.26 -3.59 116.67 115.79 1cpi s ASP 30 Ca -0.04 -1.46 -0.09 0.00 0.71 0.00 0.00 52.55 51.66 1cpi s ASP 30 Cb 0.13 -0.05 -0.05 0.00 1.01 0.00 0.00 42.92 43.96 1cpi s ASP 30 CO 0.77 -0.61 0.11 -0.89 0.21 0.00 0.00 175.17 174.77 1cpi s THR 31 N -2.89 5.11 -0.12 -1.27 2.01 -1.26 -3.02 115.64 114.20 1cpi s THR 31 Ca 0.27 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.36 1cpi s THR 31 Cb 0.07 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.26 1cpi s THR 31 CO 0.14 0.40 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.69 1cpi s VAL 32 N 0.73 1.15 0.10 3.82 1.01 -0.17 -1.23 120.40 125.80 1cpi s VAL 32 Ca 0.06 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1cpi s VAL 32 Cb -0.13 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1cpi s VAL 32 CO 0.02 0.38 -0.05 -0.76 0.00 0.00 0.00 175.10 174.69 1cpi s LEU 33 N 1.66 3.26 0.63 3.92 1.43 0.46 -0.10 118.68 129.94 1cpi s LEU 33 Ca 0.05 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 1cpi s LEU 33 Cb -0.13 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1cpi s LEU 33 CO -0.09 0.17 1.15 -1.83 0.23 0.00 0.00 176.35 175.99 1cpi s GLU 34 N -2.27 2.85 -0.23 1.70 -1.05 -1.26 -2.22 118.70 116.22 1cpi s GLU 34 Ca 0.24 1.60 -0.22 0.00 -0.15 0.00 0.00 54.97 56.44 1cpi s GLU 34 Cb -0.11 -1.94 -0.09 0.00 -0.44 0.00 0.00 34.13 31.54 1cpi s GLU 34 CO 0.16 -1.25 0.76 -1.91 0.95 0.00 0.00 175.26 173.98 1cpi n GLU 35 N -2.03 0.00 -3.62 -4.83 4.07 -0.86 -4.62 120.64 108.74 1cpi n GLU 35 Ca 0.12 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.07 1cpi n GLU 35 Cb 0.51 -0.70 -0.07 0.00 -0.06 0.00 0.00 31.44 31.12 1cpi n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cpi s MET 36 N 1.49 0.84 -1.14 5.31 0.23 -1.26 -5.02 119.30 119.74 1cpi s MET 36 Ca 0.50 0.71 -0.16 0.00 -1.03 0.00 0.00 55.69 55.71 1cpi s MET 36 Cb -0.70 0.40 0.14 0.00 -1.53 0.00 0.00 34.83 33.14 1cpi s MET 36 CO 0.38 -0.15 1.40 1.21 -2.03 0.00 0.00 175.02 175.83 1cpi s ASN 37 N -0.09 6.90 0.17 -1.18 3.04 -1.26 -5.01 114.94 117.51 1cpi s ASN 37 Ca -0.03 -2.60 -0.28 0.00 0.04 0.00 0.00 52.86 49.99 1cpi s ASN 37 Cb -0.04 -2.44 -0.08 0.00 -1.54 0.00 0.00 41.25 37.16 1cpi s ASN 37 CO 0.03 -0.93 0.87 -0.76 -3.04 0.00 0.00 177.10 173.27 1cpi s LEU 38 N 2.41 4.58 0.41 3.21 1.43 -1.26 -5.03 118.68 124.44 1cpi s LEU 38 Ca 0.42 1.76 -0.23 0.00 -1.03 0.00 0.00 54.13 55.05 1cpi s LEU 38 Cb -0.02 -3.46 -0.09 0.00 0.03 0.00 0.00 46.19 42.65 1cpi s LEU 38 CO -0.02 0.12 1.03 -2.16 0.23 0.00 0.00 176.35 175.56 1cpi s PRO 39 N -0.85 4.15 0.00 1.29 0.04 -1.26 -4.94 135.00 133.43 1cpi s PRO 39 Ca 0.40 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1cpi s PRO 39 Cb -0.24 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1cpi s PRO 39 CO 0.29 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.59 1cpi n GLY 40 N 0.20 4.07 3.83 0.56 0.00 -1.26 -5.08 105.19 107.50 1cpi n GLY 40 Ca 0.06 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1cpi n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cpi s LYS 41 N -2.74 4.14 0.17 1.61 3.01 -1.26 -5.08 119.74 119.59 1cpi s LYS 41 Ca 0.00 0.74 -0.01 0.00 -1.01 0.00 0.00 55.97 55.69 1cpi s LYS 41 Cb 0.00 -2.83 -0.04 0.00 -1.01 0.00 0.00 37.83 33.95 1cpi s LYS 41 CO 0.00 0.38 0.09 1.67 0.51 0.00 0.00 175.35 178.00 1cpi s TRP 42 N -1.57 1.06 -0.02 3.18 1.48 -1.26 -4.62 118.94 117.20 1cpi s TRP 42 Ca 0.43 -1.28 0.06 0.00 -1.06 0.00 0.00 56.10 54.25 1cpi s TRP 42 Cb -0.15 -0.56 -0.01 0.00 -1.16 0.00 0.00 33.47 31.58 1cpi s TRP 42 CO 0.20 -0.54 -0.20 0.15 -4.06 0.00 0.00 176.95 172.50 1cpi s LYS 43 N -4.09 1.64 0.50 3.25 -0.14 -0.20 -4.91 119.74 115.79 1cpi s LYS 43 Ca 0.32 -0.71 -0.19 0.00 -1.36 0.00 0.00 55.97 54.03 1cpi s LYS 43 Cb 0.07 -1.57 -0.08 0.00 -1.68 0.00 0.00 37.83 34.57 1cpi s LYS 43 CO 0.07 0.41 1.03 -1.25 -0.76 0.00 0.00 175.35 174.85 1cpi s PRO 44 N -0.42 3.77 0.17 -1.68 0.04 -1.26 0.35 135.00 135.96 1cpi s PRO 44 Ca 0.07 1.28 -0.24 0.00 0.04 0.00 0.00 61.00 62.15 1cpi s PRO 44 Cb -0.08 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1cpi s PRO 44 CO -0.00 -0.45 0.73 -1.59 0.04 0.00 0.00 177.00 175.73 1cpi s LYS 45 N -3.44 1.34 -0.06 4.56 -2.85 0.01 -4.84 119.74 114.46 1cpi s LYS 45 Ca 0.65 -0.62 0.05 0.00 -1.00 0.00 0.00 55.97 55.06 1cpi s LYS 45 Cb -0.15 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1cpi s LYS 45 CO 0.23 -0.60 -0.22 -1.64 0.10 0.00 0.00 175.35 173.22 1cpi s MET 46 N -3.63 2.34 0.10 1.78 -1.94 -1.26 -0.32 119.30 116.38 1cpi s MET 46 Ca 0.06 -0.79 0.08 0.00 -1.71 0.00 0.00 55.69 53.33 1cpi s MET 46 Cb -0.02 -1.96 -0.03 0.00 2.01 0.00 0.00 34.83 34.82 1cpi s MET 46 CO -0.04 0.30 -0.20 0.96 -0.01 0.00 0.00 175.02 176.03 1cpi s ILE 47 N -0.00 1.65 0.42 2.53 -4.36 -0.91 -4.96 121.20 115.57 1cpi s ILE 47 Ca -0.06 -1.56 0.05 0.00 -0.26 0.00 0.00 60.65 58.82 1cpi s ILE 47 Cb -0.14 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.03 1cpi s ILE 47 CO 0.04 -0.11 0.16 0.61 0.24 0.00 0.00 174.94 175.88 1cpi n GLY 48 N 1.02 3.17 0.00 6.27 0.00 -1.26 -0.57 105.19 113.82 1cpi n GLY 48 Ca -0.19 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.72 1cpi n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpi n GLY 49 N -0.92 -0.66 3.73 -0.02 0.00 0.21 -4.95 105.19 102.58 1cpi n GLY 49 Ca -0.05 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1cpi n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cpi s ILE 50 N -3.48 2.05 0.00 -0.61 1.01 -1.26 -1.59 121.20 117.32 1cpi s ILE 50 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1cpi s ILE 50 Cb 0.00 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.44 1cpi s ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1cpi n GLY 51 N 3.23 3.26 0.00 6.18 0.00 -1.26 -4.93 105.19 111.68 1cpi n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1cpi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cpi n GLY 52 N -1.26 0.56 3.68 -0.02 0.00 -0.62 -5.09 105.19 102.44 1cpi n GLY 52 Ca 0.00 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.80 1cpi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cpi s PHE 53 N -1.52 2.86 0.05 1.61 0.40 -1.26 -0.62 117.98 119.50 1cpi s PHE 53 Ca 0.00 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1cpi s PHE 53 Cb 0.00 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 1cpi s PHE 53 CO 0.00 0.54 -0.10 0.96 0.70 0.00 0.00 175.22 177.32 1cpi s ILE 54 N -1.89 0.77 0.02 0.64 -4.36 0.26 -4.97 121.20 111.68 1cpi s ILE 54 Ca 0.29 -1.14 -0.22 0.00 -0.26 0.00 0.00 60.65 59.32 1cpi s ILE 54 Cb -0.09 -0.79 -0.06 0.00 1.25 0.00 0.00 42.46 42.78 1cpi s ILE 54 CO 0.20 -0.30 0.67 -0.54 0.24 0.00 0.00 174.94 175.21 1cpi s LYS 55 N -1.58 4.39 0.06 0.37 1.02 -1.26 -2.14 119.74 120.59 1cpi s LYS 55 Ca -0.06 0.88 0.01 0.00 0.02 0.00 0.00 55.97 56.82 1cpi s LYS 55 Cb -0.10 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 1cpi s LYS 55 CO 0.01 0.35 -0.05 0.14 -0.92 0.00 0.00 175.35 174.88 1cpi s VAL 56 N -0.21 0.42 -0.21 3.17 -7.23 0.56 -4.44 120.40 112.46 1cpi s VAL 56 Ca 0.34 -1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 1cpi s VAL 56 Cb -0.19 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 1cpi s VAL 56 CO 0.20 -0.79 0.21 -0.13 -0.31 0.00 0.00 175.10 174.28 1cpi s ARG 57 N -3.19 4.14 -0.23 4.82 0.52 -0.07 -0.81 118.95 124.12 1cpi s ARG 57 Ca 0.03 -0.13 -0.14 0.00 -0.52 0.00 0.00 55.73 54.97 1cpi s ARG 57 Cb 0.02 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 1cpi s ARG 57 CO -0.05 0.12 0.33 -1.14 0.02 0.00 0.00 175.30 174.57 1cpi s GLN 58 N 0.88 4.10 -0.12 3.54 0.74 0.15 -1.00 119.66 127.95 1cpi s GLN 58 Ca 0.11 0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.56 1cpi s GLN 58 Cb -0.13 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.40 1cpi s GLN 58 CO 0.04 -0.08 -0.16 0.71 -0.55 0.00 0.00 175.29 175.25 1cpi s TYR 59 N 1.46 2.74 0.13 1.67 2.02 -0.10 -1.04 117.35 124.24 1cpi s TYR 59 Ca 0.15 -0.73 0.04 0.00 -0.37 0.00 0.00 57.07 56.16 1cpi s TYR 59 Cb -0.15 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 1cpi s TYR 59 CO 0.08 -0.25 0.10 -0.51 -1.57 0.00 0.00 175.55 173.40 1cpi s ASP 60 N 0.31 5.46 -1.32 2.29 1.01 -1.26 -0.55 116.67 122.61 1cpi s ASP 60 Ca -0.12 -0.10 -0.07 0.00 0.71 0.00 0.00 52.55 52.97 1cpi s ASP 60 Cb -0.16 -1.42 0.01 0.00 1.01 0.00 0.00 42.92 42.35 1cpi s ASP 60 CO 0.06 0.11 1.13 0.00 0.21 0.00 0.00 175.17 176.69 1cpi n GLN 61 N -0.00 -7.58 -3.44 8.23 1.13 -1.01 -4.91 117.38 109.80 1cpi n GLN 61 Ca -0.09 0.83 -0.37 0.00 -1.94 0.00 0.00 57.00 55.43 1cpi n GLN 61 Cb 0.53 -5.87 -0.07 0.00 0.11 0.00 0.00 30.24 24.95 1cpi n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1cpi s ILE 62 N -3.33 5.25 0.04 5.09 -1.09 0.06 -4.74 121.20 122.48 1cpi s ILE 62 Ca 0.44 0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 59.28 1cpi s ILE 62 Cb -0.19 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 36.92 1cpi s ILE 62 CO 0.73 0.35 1.26 -2.84 -1.23 0.00 0.00 174.94 173.22 1cpi s PRO 63 N 0.58 4.38 -0.06 2.79 0.02 -1.26 -1.98 135.00 139.47 1cpi s PRO 63 Ca 0.21 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.06 1cpi s PRO 63 Cb -0.14 -3.41 0.02 0.00 0.02 0.00 0.00 34.50 31.00 1cpi s PRO 63 CO 0.07 -0.37 -0.04 0.08 -0.33 0.00 0.00 177.00 176.41 1cpi s VAL 64 N 1.49 0.55 -0.34 3.83 1.01 -0.14 -4.44 120.40 122.37 1cpi s VAL 64 Ca 0.60 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 1cpi s VAL 64 Cb -0.30 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1cpi s VAL 64 CO 0.28 0.25 0.26 -1.61 0.00 0.00 0.00 175.10 174.28 1cpi s GLU 65 N 1.30 3.53 -0.40 2.72 2.02 -0.13 -1.06 118.70 126.69 1cpi s GLU 65 Ca -0.05 -0.58 0.06 0.00 0.02 0.00 0.00 54.97 54.41 1cpi s GLU 65 Cb -0.14 -3.80 0.59 0.00 0.10 0.00 0.00 34.13 30.89 1cpi s GLU 65 CO -0.02 -0.45 1.73 -0.89 0.02 0.00 0.00 175.26 175.65 1cpi n ILE 66 N 5.13 2.96 0.00 -1.63 5.41 -1.26 -0.56 119.36 129.41 1cpi n ILE 66 Ca -0.12 -2.35 0.00 0.00 1.00 0.00 0.00 62.75 61.28 1cpi n ILE 66 Cb 0.50 -0.45 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 1cpi n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cpi n GLY 68 N -1.12 0.00 3.71 7.39 0.00 -1.26 -4.70 105.19 109.20 1cpi n GLY 68 Ca 0.49 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 1cpi n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cpi s HIS 69 N 0.00 3.38 0.26 1.61 4.02 -1.26 -5.08 115.29 118.22 1cpi s HIS 69 Ca 0.00 0.31 -0.22 0.00 1.02 0.00 0.00 55.06 56.17 1cpi s HIS 69 Cb 0.00 -2.21 -0.09 0.00 -1.02 0.00 0.00 32.58 29.26 1cpi s HIS 69 CO 0.00 0.21 0.80 0.15 1.02 0.00 0.00 174.74 176.92 1cpi s LYS 70 N 0.60 4.37 0.17 1.40 1.02 -1.26 -4.33 119.74 121.71 1cpi s LYS 70 Ca 0.08 1.04 -0.14 0.00 0.02 0.00 0.00 55.97 56.98 1cpi s LYS 70 Cb -0.12 -2.85 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1cpi s LYS 70 CO 0.00 0.35 0.40 0.00 -0.92 0.00 0.00 175.35 175.19 1cpi s ALA 71 N -1.55 -0.55 -0.20 5.17 0.00 -0.22 -4.78 121.76 119.62 1cpi s ALA 71 Ca 0.45 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 1cpi s ALA 71 Cb -0.17 0.80 0.07 0.00 0.00 0.00 0.00 23.12 23.82 1cpi s ALA 71 CO 0.22 -0.70 0.47 -1.50 0.00 0.00 0.00 175.76 174.25 1cpi s ILE 72 N -3.90 -0.22 0.00 0.00 2.07 -1.26 -0.96 121.20 116.93 1cpi s ILE 72 Ca 0.11 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 1cpi s ILE 72 Cb 0.01 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.90 1cpi s ILE 72 CO -0.04 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 1cpi n GLY 73 N 4.61 1.02 3.73 1.50 0.00 -0.84 -4.86 105.19 110.35 1cpi n GLY 73 Ca -0.19 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1cpi n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cpi s THR 74 N -2.19 4.27 -0.06 2.61 2.01 -1.26 -0.76 115.64 120.26 1cpi s THR 74 Ca 0.00 1.86 0.03 0.00 0.31 0.00 0.00 61.69 63.89 1cpi s THR 74 Cb 0.00 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.33 1cpi s THR 74 CO 0.00 0.27 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.37 1cpi s VAL 75 N 0.10 1.23 -0.14 3.82 1.01 0.29 -4.46 120.40 122.25 1cpi s VAL 75 Ca 0.49 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1cpi s VAL 75 Cb -0.26 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1cpi s VAL 75 CO 0.31 0.37 0.08 -0.76 0.00 0.00 0.00 175.10 175.10 1cpi s LEU 76 N 0.41 3.97 -0.12 3.92 1.43 -0.37 -0.92 118.68 127.00 1cpi s LEU 76 Ca -0.10 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1cpi s LEU 76 Cb -0.14 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1cpi s LEU 76 CO 0.03 0.29 -0.20 -0.69 0.23 0.00 0.00 176.35 176.01 1cpi s VAL 77 N -0.34 2.32 0.07 -1.59 1.01 -0.17 -0.40 120.40 121.29 1cpi s VAL 77 Ca 0.09 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1cpi s VAL 77 Cb -0.12 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.37 1cpi s VAL 77 CO 0.02 0.54 0.51 0.61 0.00 0.00 0.00 175.10 176.78 1cpi n GLY 78 N 3.76 0.87 2.42 4.51 0.00 -0.94 -0.89 105.19 114.91 1cpi n GLY 78 Ca -0.19 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 1cpi n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cpi n PRO 79 N -0.36 2.10 -3.36 1.61 -0.04 -1.26 -2.03 135.00 131.65 1cpi n PRO 79 Ca -0.00 -1.32 -0.36 0.00 -0.04 0.00 0.00 63.50 61.78 1cpi n PRO 79 Cb 0.28 -2.30 -0.06 0.00 -0.04 0.00 0.00 33.50 31.37 1cpi n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1cpi s THR 80 N 2.64 4.86 -0.02 0.52 -1.32 -1.26 -4.99 115.64 116.05 1cpi s THR 80 Ca 0.46 0.89 0.26 0.00 -1.21 0.00 0.00 61.69 62.08 1cpi s THR 80 Cb 0.15 -3.76 0.29 0.00 -1.51 0.00 0.00 72.50 67.67 1cpi s THR 80 CO -0.03 0.32 1.79 1.55 -2.21 0.00 0.00 174.62 176.05 1cpi h PRO 81 N 3.82 0.00 -4.32 7.08 0.13 -1.98 -3.42 132.00 133.31 1cpi h PRO 81 Ca -0.49 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 1cpi h PRO 81 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1cpi h PRO 81 CO 0.65 0.14 -0.71 0.08 -0.23 0.00 0.00 178.00 177.93 1cpi s VAL 82 N -3.50 0.36 0.02 1.56 1.01 -1.26 -5.04 120.40 113.55 1cpi s VAL 82 Ca 0.02 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1cpi s VAL 82 Cb 0.08 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1cpi s VAL 82 CO 0.63 -0.53 0.99 0.20 0.00 0.00 0.00 175.10 176.38 1cpi s ASN 83 N -1.80 7.37 -0.09 3.32 0.01 -1.26 -4.52 114.94 117.97 1cpi s ASN 83 Ca -0.09 1.70 0.02 0.00 -0.71 0.00 0.00 52.86 53.78 1cpi s ASN 83 Cb -0.07 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1cpi s ASN 83 CO -0.02 -0.24 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.56 1cpi s ILE 84 N 0.87 1.39 -0.34 0.60 1.01 0.86 -0.80 121.20 124.79 1cpi s ILE 84 Ca 0.52 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 1cpi s ILE 84 Cb -0.22 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1cpi s ILE 84 CO 0.28 0.42 0.26 -0.63 0.00 0.00 0.00 174.94 175.27 1cpi s ILE 85 N 0.87 5.26 0.66 2.92 -1.09 0.13 -1.00 121.20 128.95 1cpi s ILE 85 Ca -0.10 -0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.21 1cpi s ILE 85 Cb -0.15 -3.74 0.12 0.00 -1.58 0.00 0.00 42.46 37.11 1cpi s ILE 85 CO 0.01 -0.03 0.91 -0.83 -1.23 0.00 0.00 174.94 173.78 1cpi s GLY 86 N 1.72 1.72 0.46 6.18 0.00 -1.17 -0.78 107.32 115.46 1cpi s GLY 86 Ca 0.07 -2.06 0.21 0.00 0.00 0.00 0.00 44.72 42.94 1cpi s GLY 86 CO 0.11 -1.51 1.89 3.21 0.00 0.00 0.00 173.10 176.80 1cpi h ARG 87 N -0.20 0.26 -0.33 2.90 3.08 -1.41 -1.57 114.38 117.11 1cpi h ARG 87 Ca -0.31 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.78 1cpi h ARG 87 Cb 1.28 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1cpi h ARG 87 CO 0.39 0.17 0.23 -2.95 -1.07 0.00 0.00 179.97 176.74 1cpi h ASN 88 N 0.27 0.17 0.00 7.04 -1.07 -1.83 -1.26 115.58 118.91 1cpi h ASN 88 Ca 0.42 -0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.52 1cpi h ASN 88 Cb 1.23 -0.04 -0.05 0.00 -2.07 0.00 0.00 38.32 37.39 1cpi h ASN 88 CO -0.11 0.11 -2.27 0.18 0.07 0.00 0.00 177.43 175.42 1cpi n LEU 89 N -4.48 0.00 0.04 6.14 4.32 -0.70 -4.35 117.00 117.97 1cpi n LEU 89 Ca 0.04 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.98 1cpi n LEU 89 Cb 0.27 0.37 0.14 0.00 -1.62 0.00 0.00 43.42 42.58 1cpi n LEU 89 CO 0.35 0.37 0.59 -0.07 -1.22 0.00 0.00 177.39 177.41 1cpi h LEU 90 N 0.00 0.45 -1.41 2.23 3.38 -0.91 -2.55 115.31 116.50 1cpi h LEU 90 Ca -0.41 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 1cpi h LEU 90 Cb 1.92 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1cpi h LEU 90 CO 0.02 0.83 -0.23 0.71 0.09 0.00 0.00 178.44 179.86 1cpi h THR 91 N 0.35 1.20 0.00 0.22 1.35 -1.46 -2.45 112.91 112.11 1cpi h THR 91 Ca 0.03 -0.91 -0.06 0.00 -0.55 0.00 0.00 66.41 64.92 1cpi h THR 91 Cb 0.91 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 1cpi h THR 91 CO 0.08 0.27 -0.26 1.56 -0.25 0.00 0.00 175.52 176.91 1cpi h GLN 92 N 0.08 0.00 -0.65 4.72 4.20 -1.65 -2.90 115.11 118.91 1cpi h GLN 92 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1cpi h GLN 92 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1cpi h GLN 92 CO 0.03 0.26 0.00 0.44 -0.67 0.00 0.00 178.83 178.90 1cpi n ILE 93 N -3.40 1.39 -1.87 2.54 -5.35 -0.94 -4.94 119.36 106.80 1cpi n ILE 93 Ca 0.00 -1.11 0.00 0.00 -0.27 0.00 0.00 62.75 61.37 1cpi n ILE 93 Cb 0.47 0.32 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1cpi n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1cpi n GLY 94 N 1.25 -4.96 0.00 3.28 0.00 -1.10 -5.10 105.19 98.57 1cpi n GLY 94 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1cpi n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cpi n THR 96 N 1.32 0.00 -3.64 2.61 -2.24 -1.26 -5.05 114.28 106.02 1cpi n THR 96 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1cpi n THR 96 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1cpi n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1cpi s LEU 97 N 0.00 4.20 -0.05 3.22 1.43 -1.26 -5.09 118.68 121.14 1cpi s LEU 97 Ca 0.00 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1cpi s LEU 97 Cb 0.00 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1cpi s LEU 97 CO 0.00 0.12 -0.14 0.20 0.23 0.00 0.00 176.35 176.76 1cpi s ASN 98 N 0.55 1.81 0.00 2.29 -0.87 -1.26 -5.30 114.94 112.16 1cpi s ASN 98 Ca 0.11 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.10 1cpi s ASN 98 Cb -0.12 -0.60 0.00 0.00 -0.02 0.00 0.00 41.25 40.51 1cpi s ASN 98 CO 0.01 0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.86