#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpi s GLN 2 N 0.00 3.52 -0.26 0.54 0.74 -1.26 -5.09 119.66 117.85 1rpi s GLN 2 Ca 0.00 -0.55 -0.03 0.00 0.05 0.00 0.00 55.36 54.83 1rpi s GLN 2 Cb 0.00 -3.13 0.02 0.00 1.10 0.00 0.00 33.01 31.00 1rpi s GLN 2 CO 0.00 -0.15 -0.03 0.42 -0.55 0.00 0.00 175.29 174.98 1rpi s ILE 3 N 1.43 3.12 0.71 -2.34 1.01 -1.26 -5.10 121.20 118.77 1rpi s ILE 3 Ca 0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 1rpi s ILE 3 Cb -0.15 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.76 1rpi s ILE 3 CO 0.00 0.18 1.09 0.42 0.00 0.00 0.00 174.94 176.63 1rpi s THR 4 N 1.36 3.23 -0.18 2.92 -4.23 -1.26 -5.00 115.64 112.49 1rpi s THR 4 Ca 0.01 0.35 0.17 0.00 -1.18 0.00 0.00 61.69 61.03 1rpi s THR 4 Cb -0.17 -3.39 0.52 0.00 1.34 0.00 0.00 72.50 70.81 1rpi s THR 4 CO -0.03 -0.50 1.42 0.18 -0.54 0.00 0.00 174.62 175.15 1rpi n LEU 5 N -3.02 3.86 -0.04 4.79 4.77 -1.26 -4.44 117.00 121.65 1rpi n LEU 5 Ca 0.07 -3.04 0.05 0.00 -0.03 0.00 0.00 56.01 53.06 1rpi n LEU 5 Cb 0.58 -0.55 0.42 0.00 -2.33 0.00 0.00 43.42 41.54 1rpi n LEU 5 CO 0.57 0.69 1.18 -0.50 -1.33 0.00 0.00 177.39 177.99 1rpi h TRP 6 N 1.73 0.55 -1.90 -1.77 4.06 -2.06 -3.43 115.95 113.14 1rpi h TRP 6 Ca 0.01 0.01 -0.59 0.00 2.06 0.00 0.00 58.89 60.38 1rpi h TRP 6 Cb 1.44 -0.19 -0.11 0.00 -1.00 0.00 0.00 29.16 29.31 1rpi h TRP 6 CO 0.50 0.33 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.44 1rpi s GLN 7 N -5.52 2.05 0.12 0.49 -1.52 -1.26 -5.08 119.66 108.93 1rpi s GLN 7 Ca -0.08 -1.79 -0.34 0.00 -1.95 0.00 0.00 55.36 51.20 1rpi s GLN 7 Cb 0.18 -1.89 -0.13 0.00 -0.22 0.00 0.00 33.01 30.94 1rpi s GLN 7 CO 0.74 0.12 1.65 0.54 -0.25 0.00 0.00 175.29 178.08 1rpi n ARG 8 N -0.95 2.22 -2.19 2.91 1.74 -1.26 -4.87 116.66 114.26 1rpi n ARG 8 Ca -0.04 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.42 1rpi n ARG 8 Cb 0.63 -2.59 -0.01 0.00 -1.02 0.00 0.00 32.46 29.47 1rpi n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1rpi n PRO 9 N 4.08 2.90 -3.07 5.56 -0.04 -1.26 -4.93 135.00 138.24 1rpi n PRO 9 Ca 0.18 -2.93 -0.40 0.00 -0.04 0.00 0.00 63.50 60.31 1rpi n PRO 9 Cb 0.30 -3.42 -0.05 0.00 -0.04 0.00 0.00 33.50 30.29 1rpi n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rpi s ILE 10 N 4.33 5.03 0.26 0.52 1.01 -1.26 -0.95 121.20 130.14 1rpi s ILE 10 Ca 0.53 1.35 0.06 0.00 0.00 0.00 0.00 60.65 62.58 1rpi s ILE 10 Cb 0.08 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 1rpi s ILE 10 CO 0.03 0.18 -0.04 0.68 0.00 0.00 0.00 174.94 175.79 1rpi s VAL 11 N 1.33 1.43 -0.08 2.92 -7.23 0.51 -4.93 120.40 114.36 1rpi s VAL 11 Ca 0.34 -2.09 -0.20 0.00 -1.81 0.00 0.00 61.98 58.22 1rpi s VAL 11 Cb -0.17 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1rpi s VAL 11 CO 0.14 -0.30 0.55 -0.89 -0.31 0.00 0.00 175.10 174.29 1rpi s THR 12 N -3.15 5.09 0.11 5.32 2.01 -1.26 -0.28 115.64 123.48 1rpi s THR 12 Ca 0.29 1.12 0.10 0.00 0.31 0.00 0.00 61.69 63.52 1rpi s THR 12 Cb 0.05 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1rpi s THR 12 CO 0.11 0.34 -0.25 0.27 -0.69 0.00 0.00 174.62 174.40 1rpi s ILE 13 N 0.39 2.39 -0.31 1.82 -4.36 0.40 -2.89 121.20 118.64 1rpi s ILE 13 Ca 0.30 -1.64 -0.08 0.00 -0.26 0.00 0.00 60.65 58.97 1rpi s ILE 13 Cb -0.16 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.51 1rpi s ILE 13 CO 0.14 0.14 0.11 -0.75 0.24 0.00 0.00 174.94 174.81 1rpi s LYS 14 N -1.95 3.02 -0.11 0.37 2.20 0.34 -0.72 119.74 122.89 1rpi s LYS 14 Ca 0.15 -0.92 -0.00 0.00 -0.36 0.00 0.00 55.97 54.84 1rpi s LYS 14 Cb -0.10 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.79 1rpi s LYS 14 CO 0.06 -0.50 -0.09 -1.50 -0.36 0.00 0.00 175.35 172.96 1rpi s ILE 15 N 1.50 1.12 -0.66 5.43 2.07 0.12 -1.62 121.20 129.16 1rpi s ILE 15 Ca 0.02 -0.36 -0.12 0.00 -1.41 0.00 0.00 60.65 58.78 1rpi s ILE 15 Cb -0.18 -1.11 0.02 0.00 0.13 0.00 0.00 42.46 41.32 1rpi s ILE 15 CO 0.03 0.38 0.64 0.61 -1.91 0.00 0.00 174.94 174.69 1rpi n GLY 16 N 4.80 -0.91 3.55 1.50 0.00 -1.26 -2.62 105.19 110.25 1rpi n GLY 16 Ca -0.14 0.81 -0.26 0.00 0.00 0.00 0.00 46.02 46.43 1rpi n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpi n GLY 17 N -1.12 -0.49 3.23 -0.02 0.00 -1.26 -4.93 105.19 100.61 1rpi n GLY 17 Ca -0.14 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1rpi n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rpi s GLN 18 N -6.22 0.34 -0.05 1.61 0.74 -1.08 -5.15 119.66 109.86 1rpi s GLN 18 Ca 0.49 0.82 -0.18 0.00 0.05 0.00 0.00 55.36 56.54 1rpi s GLN 18 Cb -0.25 0.05 -0.05 0.00 1.10 0.00 0.00 33.01 33.85 1rpi s GLN 18 CO 0.60 -0.19 0.49 -0.51 -0.55 0.00 0.00 175.29 175.13 1rpi s LEU 19 N 1.73 4.37 0.25 3.68 1.43 -1.26 0.14 118.68 129.02 1rpi s LEU 19 Ca -0.07 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1rpi s LEU 19 Cb -0.10 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 1rpi s LEU 19 CO -0.12 0.12 0.17 -0.54 0.23 0.00 0.00 176.35 176.20 1rpi s LYS 20 N -0.07 1.42 -0.12 1.70 1.02 0.10 -4.97 119.74 118.83 1rpi s LYS 20 Ca 0.26 -1.78 -0.01 0.00 0.02 0.00 0.00 55.97 54.46 1rpi s LYS 20 Cb -0.16 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.28 1rpi s LYS 20 CO 0.13 -0.45 -0.07 -1.21 -0.92 0.00 0.00 175.35 172.82 1rpi s GLU 21 N -3.93 3.25 0.02 1.68 0.41 -1.26 -0.45 118.70 118.42 1rpi s GLU 21 Ca 0.39 -0.57 -0.03 0.00 -0.41 0.00 0.00 54.97 54.34 1rpi s GLU 21 Cb 0.06 -2.72 -0.01 0.00 -1.78 0.00 0.00 34.13 29.68 1rpi s GLU 21 CO 0.17 0.39 0.05 0.00 -0.49 0.00 0.00 175.26 175.37 1rpi s ALA 22 N -0.08 -0.05 -0.16 5.21 0.00 0.62 -4.42 121.76 122.88 1rpi s ALA 22 Ca 0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.35 1rpi s ALA 22 Cb -0.13 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1rpi s ALA 22 CO 0.03 -0.20 0.44 -1.17 0.00 0.00 0.00 175.76 174.86 1rpi s LEU 23 N -1.57 4.21 -0.50 0.00 2.96 -0.75 -0.36 118.68 122.66 1rpi s LEU 23 Ca -0.13 0.67 -0.28 0.00 -0.22 0.00 0.00 54.13 54.16 1rpi s LEU 23 Cb -0.07 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 44.02 1rpi s LEU 23 CO -0.01 -0.04 1.33 -0.76 -1.32 0.00 0.00 176.35 175.55 1rpi s LEU 24 N 0.98 3.50 -0.40 -0.68 1.43 -0.13 -0.96 118.68 122.43 1rpi s LEU 24 Ca 0.23 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1rpi s LEU 24 Cb -0.15 -3.31 0.11 0.00 0.03 0.00 0.00 46.19 42.87 1rpi s LEU 24 CO 0.09 -1.52 0.14 0.21 0.23 0.00 0.00 176.35 175.51 1rpi s ASN 25 N 3.73 4.92 0.27 2.29 3.84 0.03 -4.79 114.94 125.24 1rpi s ASN 25 Ca 0.53 -2.24 0.24 0.00 0.21 0.00 0.00 52.86 51.60 1rpi s ASN 25 Cb -0.10 -1.71 1.01 0.00 -0.55 0.00 0.00 41.25 39.90 1rpi s ASN 25 CO 0.29 -0.42 1.72 0.35 -2.79 0.00 0.00 177.10 176.24 1rpi n THR 26 N 4.21 0.84 1.33 -5.21 -2.24 -1.26 -1.16 114.28 110.79 1rpi n THR 26 Ca 0.02 0.27 0.14 0.00 -2.27 0.00 0.00 64.05 62.21 1rpi n THR 26 Cb 0.41 -1.21 0.70 0.00 -2.10 0.00 0.00 70.33 68.13 1rpi n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rpi n GLY 27 N -0.10 -1.20 3.48 3.38 0.00 -1.26 -4.80 105.19 104.69 1rpi n GLY 27 Ca 0.02 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1rpi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rpi s ALA 28 N -2.56 2.92 0.16 4.61 0.00 -0.30 -5.01 121.76 121.58 1rpi s ALA 28 Ca 0.27 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1rpi s ALA 28 Cb 0.19 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.87 1rpi s ALA 28 CO 0.42 0.26 1.43 -0.44 0.00 0.00 0.00 175.76 177.43 1rpi h ASP 29 N 6.56 0.67 -1.74 0.00 3.32 -1.87 -0.17 116.42 123.19 1rpi h ASP 29 Ca -0.31 -0.41 -0.60 0.00 0.02 0.00 0.00 57.03 55.73 1rpi h ASP 29 Cb 1.19 -0.20 -0.11 0.00 0.22 0.00 0.00 39.33 40.44 1rpi h ASP 29 CO 0.60 1.15 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.88 1rpi s ASP 30 N -6.99 4.07 -0.24 6.45 1.01 -1.26 -2.13 116.67 117.58 1rpi s ASP 30 Ca -0.08 -1.19 -0.10 0.00 0.71 0.00 0.00 52.55 51.90 1rpi s ASP 30 Cb 0.10 -0.44 -0.05 0.00 1.01 0.00 0.00 42.92 43.54 1rpi s ASP 30 CO 0.86 -0.39 0.14 -0.89 0.21 0.00 0.00 175.17 175.09 1rpi s THR 31 N -2.62 5.09 -0.06 -1.27 2.01 -1.26 -3.04 115.64 114.48 1rpi s THR 31 Ca 0.36 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.49 1rpi s THR 31 Cb 0.05 -3.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.18 1rpi s THR 31 CO 0.19 0.34 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.58 1rpi s VAL 32 N 1.20 1.68 0.08 3.82 1.01 -0.61 -0.04 120.40 127.53 1rpi s VAL 32 Ca 0.06 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1rpi s VAL 32 Cb -0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1rpi s VAL 32 CO 0.05 0.48 -0.17 -0.76 0.00 0.00 0.00 175.10 174.70 1rpi s LEU 33 N 0.18 2.26 0.47 3.92 1.43 0.18 -0.83 118.68 126.29 1rpi s LEU 33 Ca -0.10 -0.61 -0.24 0.00 -1.03 0.00 0.00 54.13 52.16 1rpi s LEU 33 Cb -0.14 -0.68 -0.07 0.00 0.03 0.00 0.00 46.19 45.32 1rpi s LEU 33 CO 0.05 -0.00 1.29 -1.61 0.23 0.00 0.00 176.35 176.30 1rpi s GLU 34 N -1.68 3.62 -0.05 1.70 0.41 -1.24 -0.56 118.70 120.90 1rpi s GLU 34 Ca 0.02 2.08 -0.40 0.00 -0.41 0.00 0.00 54.97 56.26 1rpi s GLU 34 Cb -0.10 -2.48 -0.19 0.00 -1.78 0.00 0.00 34.13 29.58 1rpi s GLU 34 CO 0.03 -0.76 1.09 -1.91 -0.49 0.00 0.00 175.26 173.22 1rpi n GLU 35 N -0.46 0.00 -3.76 1.61 4.07 -1.26 -4.69 120.64 116.15 1rpi n GLU 35 Ca 0.07 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.04 1rpi n GLU 35 Cb 0.45 -1.46 -0.09 0.00 -0.06 0.00 0.00 31.44 30.29 1rpi n GLU 35 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1rpi s VAL 36 N 0.30 0.05 -1.30 6.31 0.11 -1.26 -5.02 120.40 119.59 1rpi s VAL 36 Ca 0.90 -0.42 -0.05 0.00 -2.93 0.00 0.00 61.98 59.48 1rpi s VAL 36 Cb -1.26 -0.59 0.13 0.00 -1.53 0.00 0.00 36.38 33.14 1rpi s VAL 36 CO 0.58 -0.23 2.32 -3.20 -3.33 0.00 0.00 175.10 171.24 1rpi n ASN 37 N 1.50 7.87 -4.72 3.54 2.85 -1.26 -4.98 115.26 120.05 1rpi n ASN 37 Ca -0.20 -3.17 -0.42 0.00 -0.11 0.00 0.00 54.58 50.67 1rpi n ASN 37 Cb 0.56 -1.36 -0.00 0.00 1.24 0.00 0.00 39.78 40.22 1rpi n ASN 37 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1rpi n LEU 38 N 1.72 3.97 -4.87 1.20 4.77 -1.26 -4.96 117.00 117.58 1rpi n LEU 38 Ca 0.60 1.21 -0.31 0.00 -0.03 0.00 0.00 56.01 57.49 1rpi n LEU 38 Cb 0.25 -1.53 0.01 0.00 -2.33 0.00 0.00 43.42 39.82 1rpi n LEU 38 CO 0.68 -0.27 0.72 -2.16 -1.33 0.00 0.00 177.39 175.04 1rpi s PRO 39 N -1.96 3.56 0.41 3.23 0.04 -1.26 -4.98 135.00 134.03 1rpi s PRO 39 Ca 0.55 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.33 1rpi s PRO 39 Cb -0.54 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1rpi s PRO 39 CO 0.63 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1rpi n GLY 40 N -2.74 -1.81 3.82 0.56 0.00 -1.26 -4.94 105.19 98.83 1rpi n GLY 40 Ca 0.06 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 1rpi n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rpi s ARG 41 N 0.00 3.36 0.06 1.61 1.70 -1.26 -5.07 118.95 119.36 1rpi s ARG 41 Ca 0.00 1.03 -0.19 0.00 -0.47 0.00 0.00 55.73 56.10 1rpi s ARG 41 Cb 0.00 -2.05 0.04 0.00 -0.57 0.00 0.00 34.95 32.38 1rpi s ARG 41 CO 0.00 -0.76 0.45 1.67 -1.08 0.00 0.00 175.30 175.58 1rpi s TRP 42 N -2.75 -0.31 -0.08 5.89 1.48 -1.26 -4.74 118.94 117.16 1rpi s TRP 42 Ca 0.60 0.26 0.01 0.00 -1.06 0.00 0.00 56.10 55.91 1rpi s TRP 42 Cb -0.14 0.27 -0.02 0.00 -1.16 0.00 0.00 33.47 32.42 1rpi s TRP 42 CO 0.43 -0.62 -0.11 0.15 -4.06 0.00 0.00 176.95 172.74 1rpi s LYS 43 N -2.68 2.87 0.44 3.25 1.02 -0.50 -4.90 119.74 119.24 1rpi s LYS 43 Ca -0.04 -0.64 -0.26 0.00 0.02 0.00 0.00 55.97 55.05 1rpi s LYS 43 Cb -0.00 -2.54 -0.09 0.00 -0.52 0.00 0.00 37.83 34.69 1rpi s LYS 43 CO -0.04 0.51 1.42 -1.25 -0.92 0.00 0.00 175.35 175.07 1rpi s PRO 44 N -0.40 3.76 -0.04 -1.68 0.04 -1.26 0.15 135.00 135.56 1rpi s PRO 44 Ca 0.05 2.40 -0.03 0.00 0.04 0.00 0.00 61.00 63.47 1rpi s PRO 44 Cb -0.12 -2.70 0.02 0.00 0.04 0.00 0.00 34.50 31.74 1rpi s PRO 44 CO 0.02 -0.76 0.10 0.21 0.04 0.00 0.00 177.00 176.61 1rpi s LYS 45 N -2.39 0.09 -0.18 4.56 2.20 -0.61 -4.76 119.74 118.65 1rpi s LYS 45 Ca 0.60 0.18 -0.12 0.00 -0.36 0.00 0.00 55.97 56.27 1rpi s LYS 45 Cb -0.43 -0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 35.81 1rpi s LYS 45 CO 0.56 -0.06 0.23 -0.51 -0.36 0.00 0.00 175.35 175.22 1rpi s LEU 46 N 0.39 4.22 0.39 5.43 1.02 -1.26 0.26 118.68 129.13 1rpi s LEU 46 Ca -0.03 0.40 0.04 0.00 0.02 0.00 0.00 54.13 54.56 1rpi s LEU 46 Cb -0.04 -2.27 -0.05 0.00 0.02 0.00 0.00 46.19 43.85 1rpi s LEU 46 CO -0.01 0.12 0.05 0.27 0.02 0.00 0.00 176.35 176.80 1rpi s ILE 47 N 0.47 1.24 0.00 -0.59 -4.36 -0.32 -4.94 121.20 112.71 1rpi s ILE 47 Ca 0.13 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 1rpi s ILE 47 Cb -0.12 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 40.93 1rpi s ILE 47 CO 0.02 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.81 1rpi n GLY 48 N -0.88 0.94 0.00 6.27 0.00 -1.26 -1.56 105.19 108.70 1rpi n GLY 48 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1rpi n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpi n GLY 49 N 0.00 3.79 3.64 -0.02 0.00 -0.86 -4.95 105.19 106.78 1rpi n GLY 49 Ca 0.00 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1rpi n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rpi s ILE 50 N 0.00 4.26 0.00 -0.61 -5.25 -1.26 -0.78 121.20 117.56 1rpi s ILE 50 Ca 0.00 1.46 0.00 0.00 -0.99 0.00 0.00 60.65 61.12 1rpi s ILE 50 Cb 0.00 -4.17 0.00 0.00 2.95 0.00 0.00 42.46 41.24 1rpi s ILE 50 CO 0.00 -0.38 0.00 0.61 -1.79 0.00 0.00 174.94 173.38 1rpi n GLY 51 N 4.03 0.67 0.00 6.27 0.00 -1.26 -4.91 105.19 109.99 1rpi n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1rpi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpi n GLY 52 N -2.02 3.05 3.84 -0.02 0.00 0.04 -5.12 105.19 104.95 1rpi n GLY 52 Ca 0.00 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 1rpi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rpi s PHE 53 N -2.09 2.92 -0.07 1.61 0.40 -1.26 -2.04 117.98 117.45 1rpi s PHE 53 Ca 0.00 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1rpi s PHE 53 Cb 0.00 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 1rpi s PHE 53 CO 0.00 0.23 -0.16 0.14 0.70 0.00 0.00 175.22 176.13 1rpi s VAL 54 N -2.29 2.91 -0.07 -0.44 -7.23 -0.60 -4.91 120.40 107.76 1rpi s VAL 54 Ca 0.40 -0.76 -0.12 0.00 -1.81 0.00 0.00 61.98 59.69 1rpi s VAL 54 Cb -0.06 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 1rpi s VAL 54 CO 0.26 0.57 0.30 -0.54 -0.31 0.00 0.00 175.10 175.38 1rpi s LYS 55 N -0.37 3.81 0.42 4.82 1.02 -1.26 -1.17 119.74 127.00 1rpi s LYS 55 Ca 0.04 0.18 0.04 0.00 0.02 0.00 0.00 55.97 56.25 1rpi s LYS 55 Cb -0.12 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 1rpi s LYS 55 CO 0.02 0.65 0.16 0.14 -0.92 0.00 0.00 175.35 175.40 1rpi s VAL 56 N -0.82 0.46 -0.14 3.17 -7.23 0.14 -4.81 120.40 111.18 1rpi s VAL 56 Ca 0.20 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1rpi s VAL 56 Cb -0.15 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1rpi s VAL 56 CO 0.09 0.00 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.71 1rpi s ARG 57 N -3.64 3.52 -0.30 4.82 0.52 -0.46 -1.57 118.95 121.85 1rpi s ARG 57 Ca 0.23 -0.51 -0.16 0.00 -0.52 0.00 0.00 55.73 54.77 1rpi s ARG 57 Cb 0.01 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 1rpi s ARG 57 CO 0.16 0.33 0.43 -1.14 0.02 0.00 0.00 175.30 175.10 1rpi s GLN 58 N 0.12 3.86 -0.22 3.54 0.74 0.39 -1.05 119.66 127.03 1rpi s GLN 58 Ca -0.01 -0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.29 1rpi s GLN 58 Cb -0.14 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 1rpi s GLN 58 CO 0.03 -0.42 0.09 0.71 -0.55 0.00 0.00 175.29 175.15 1rpi s TYR 59 N 2.19 3.20 0.42 1.67 1.51 -0.60 -1.40 117.35 124.33 1rpi s TYR 59 Ca 0.17 -0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.19 1rpi s TYR 59 Cb -0.16 -2.19 -0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1rpi s TYR 59 CO 0.11 -0.06 0.61 -0.51 -1.11 0.00 0.00 175.55 174.58 1rpi s ASP 60 N 1.02 5.81 -1.76 2.29 1.01 -1.26 -0.93 116.67 122.85 1rpi s ASP 60 Ca 0.05 0.05 -0.15 0.00 0.71 0.00 0.00 52.55 53.21 1rpi s ASP 60 Cb -0.14 -1.31 0.15 0.00 1.01 0.00 0.00 42.92 42.63 1rpi s ASP 60 CO 0.03 -0.66 0.40 0.00 0.21 0.00 0.00 175.17 175.15 1rpi n GLN 61 N -1.94 -0.95 -2.75 8.23 1.13 -1.23 -4.88 117.38 114.98 1rpi n GLN 61 Ca 0.02 0.14 -0.41 0.00 -1.94 0.00 0.00 57.00 54.81 1rpi n GLN 61 Cb 0.58 -4.34 -0.04 0.00 0.11 0.00 0.00 30.24 26.55 1rpi n GLN 61 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1rpi s VAL 62 N -3.66 4.62 -0.01 5.09 1.01 0.49 -4.60 120.40 123.35 1rpi s VAL 62 Ca 0.53 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 64.23 1rpi s VAL 62 Cb -0.31 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 1rpi s VAL 62 CO 1.01 0.28 1.04 -2.84 0.00 0.00 0.00 175.10 174.59 1rpi s PRO 63 N 0.25 4.50 0.02 2.72 0.02 -1.26 0.47 135.00 141.72 1rpi s PRO 63 Ca 0.47 1.50 -0.15 0.00 0.02 0.00 0.00 61.00 62.83 1rpi s PRO 63 Cb -0.22 -3.46 0.02 0.00 0.02 0.00 0.00 34.50 30.86 1rpi s PRO 63 CO 0.29 -0.15 0.33 -1.50 -0.33 0.00 0.00 177.00 175.64 1rpi s ILE 64 N 1.23 0.07 -0.07 2.83 2.07 0.43 -4.54 121.20 123.23 1rpi s ILE 64 Ca 0.53 -0.55 0.05 0.00 -1.41 0.00 0.00 60.65 59.28 1rpi s ILE 64 Cb -0.22 -0.81 -0.01 0.00 0.13 0.00 0.00 42.46 41.55 1rpi s ILE 64 CO 0.26 -0.30 -0.24 -0.70 -1.91 0.00 0.00 174.94 172.05 1rpi s GLU 65 N -2.01 2.58 -0.21 3.50 2.12 -0.64 0.25 118.70 124.30 1rpi s GLU 65 Ca -0.09 -0.86 -0.02 0.00 0.36 0.00 0.00 54.97 54.36 1rpi s GLU 65 Cb -0.03 -2.12 0.06 0.00 0.26 0.00 0.00 34.13 32.30 1rpi s GLU 65 CO 0.00 0.32 0.01 0.42 -0.54 0.00 0.00 175.26 175.47 1rpi s ILE 66 N -0.02 0.85 -1.41 -3.70 1.01 -0.20 0.13 121.20 117.86 1rpi s ILE 66 Ca -0.07 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 1rpi s ILE 66 Cb -0.15 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1rpi s ILE 66 CO 0.05 -0.19 0.37 0.00 0.00 0.00 0.00 174.94 175.16 1rpi n GLY 68 N -2.08 0.44 3.51 0.00 0.00 -1.26 -4.98 105.19 100.82 1rpi n GLY 68 Ca -0.30 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 1rpi n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rpi s HIS 69 N -1.69 3.21 -0.10 1.61 4.02 0.33 -5.06 115.29 117.61 1rpi s HIS 69 Ca 0.00 -0.26 -0.23 0.00 1.02 0.00 0.00 55.06 55.59 1rpi s HIS 69 Cb 0.00 -2.42 -0.03 0.00 -1.02 0.00 0.00 32.58 29.11 1rpi s HIS 69 CO 0.00 -0.35 0.71 0.15 1.02 0.00 0.00 174.74 176.27 1rpi s LYS 70 N 1.70 4.38 0.15 1.40 1.02 -1.26 -1.03 119.74 126.10 1rpi s LYS 70 Ca 0.06 0.87 0.05 0.00 0.02 0.00 0.00 55.97 56.97 1rpi s LYS 70 Cb -0.17 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 1rpi s LYS 70 CO 0.09 -0.04 -0.11 0.54 -0.92 0.00 0.00 175.35 174.90 1rpi s VAL 71 N 1.18 1.29 -0.19 3.17 0.11 0.14 -4.98 120.40 121.12 1rpi s VAL 71 Ca 0.37 -2.05 -0.03 0.00 -2.93 0.00 0.00 61.98 57.34 1rpi s VAL 71 Cb -0.17 -1.84 -0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1rpi s VAL 71 CO 0.16 -0.68 -0.06 -0.63 -3.33 0.00 0.00 175.10 170.56 1rpi s ILE 72 N -3.13 3.41 0.28 7.04 -1.09 -1.26 -0.43 121.20 126.03 1rpi s ILE 72 Ca 0.17 -0.50 -0.20 0.00 -2.23 0.00 0.00 60.65 57.89 1rpi s ILE 72 Cb 0.01 -2.52 0.04 0.00 -1.58 0.00 0.00 42.46 38.42 1rpi s ILE 72 CO 0.02 0.46 0.82 -0.83 -1.23 0.00 0.00 174.94 174.18 1rpi s GLY 73 N 1.01 0.04 0.03 6.18 0.00 0.18 -4.80 107.32 109.95 1rpi s GLY 73 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 1rpi s GLY 73 CO 0.00 0.12 1.10 -1.59 0.00 0.00 0.00 173.10 172.73 1rpi s THR 74 N -3.14 4.42 -0.07 0.90 2.01 -1.26 -0.38 115.64 118.12 1rpi s THR 74 Ca 0.14 1.73 0.04 0.00 0.31 0.00 0.00 61.69 63.91 1rpi s THR 74 Cb -0.05 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1rpi s THR 74 CO 0.07 0.13 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.26 1rpi s VAL 75 N 1.08 1.59 -0.16 3.82 1.01 -0.11 -4.53 120.40 123.10 1rpi s VAL 75 Ca 0.56 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1rpi s VAL 75 Cb -0.25 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1rpi s VAL 75 CO 0.28 0.45 0.24 -0.76 0.00 0.00 0.00 175.10 175.32 1rpi s LEU 76 N 0.35 4.26 -0.21 3.92 1.43 0.94 -1.56 118.68 127.81 1rpi s LEU 76 Ca -0.13 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1rpi s LEU 76 Cb -0.15 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.81 1rpi s LEU 76 CO 0.05 0.15 -0.16 -0.69 0.23 0.00 0.00 176.35 175.93 1rpi s VAL 77 N 0.26 2.17 -2.97 -1.59 1.01 -0.22 0.48 120.40 119.54 1rpi s VAL 77 Ca 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1rpi s VAL 77 Cb -0.13 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1rpi s VAL 77 CO 0.03 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1rpi n GLY 78 N 4.58 -2.02 3.63 4.51 0.00 0.28 -1.36 105.19 114.81 1rpi n GLY 78 Ca -0.19 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1rpi n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rpi n PRO 79 N -0.47 1.59 -3.65 1.61 -0.02 -1.26 -3.72 135.00 129.09 1rpi n PRO 79 Ca 0.00 0.56 -0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1rpi n PRO 79 Cb 0.00 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.38 1rpi n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1rpi s THR 80 N -1.12 0.00 0.59 3.45 -1.32 -1.26 -4.95 115.64 111.02 1rpi s THR 80 Ca 0.59 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.37 1rpi s THR 80 Cb -0.63 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 69.78 1rpi s THR 80 CO 0.60 0.00 1.72 -0.65 -2.21 0.00 0.00 174.62 174.08 1rpi h PRO 81 N 5.49 0.00 -2.89 7.08 0.11 -1.99 -3.42 132.00 136.37 1rpi h PRO 81 Ca -0.27 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.91 1rpi h PRO 81 Cb 1.17 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 1rpi h PRO 81 CO 0.21 0.00 0.27 0.00 -0.21 0.00 0.00 178.00 178.27 1rpi s ALA 82 N -4.62 -1.35 0.19 -0.75 0.00 -1.26 -5.14 121.76 108.84 1rpi s ALA 82 Ca -0.04 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 1rpi s ALA 82 Cb 0.16 0.82 -0.09 0.00 0.00 0.00 0.00 23.12 24.01 1rpi s ALA 82 CO 0.57 -0.99 1.32 -0.80 0.00 0.00 0.00 175.76 175.86 1rpi s ASN 83 N -2.89 6.87 -0.10 0.00 0.01 -1.26 -4.80 114.94 112.77 1rpi s ASN 83 Ca 0.10 2.41 0.01 0.00 -0.71 0.00 0.00 52.86 54.66 1rpi s ASN 83 Cb -0.05 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.03 1rpi s ASN 83 CO 0.03 -0.55 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.28 1rpi s VAL 84 N 0.21 1.15 -0.36 1.60 1.01 -0.01 -1.82 120.40 122.18 1rpi s VAL 84 Ca 0.58 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1rpi s VAL 84 Cb -0.37 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1rpi s VAL 84 CO 0.38 0.38 0.54 -0.63 0.00 0.00 0.00 175.10 175.77 1rpi s ILE 85 N 1.28 4.98 0.40 2.22 -1.09 -0.13 -1.58 121.20 127.29 1rpi s ILE 85 Ca -0.02 0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.75 1rpi s ILE 85 Cb -0.14 -4.01 0.08 0.00 -1.58 0.00 0.00 42.46 36.81 1rpi s ILE 85 CO -0.04 -0.27 0.56 0.61 -1.23 0.00 0.00 174.94 174.57 1rpi n GLY 86 N 4.80 0.91 0.24 6.18 0.00 -1.17 -0.79 105.19 115.37 1rpi n GLY 86 Ca -0.04 -2.03 0.08 0.00 0.00 0.00 0.00 46.02 44.03 1rpi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rpi h ARG 87 N 0.00 0.00 -0.85 1.61 3.08 -0.93 -2.19 114.38 115.10 1rpi h ARG 87 Ca -0.18 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.90 1rpi h ARG 87 Cb 0.71 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 1rpi h ARG 87 CO 0.21 0.12 0.55 -2.95 -1.07 0.00 0.00 179.97 176.83 1rpi h ASN 88 N 0.00 0.90 0.63 7.04 -1.07 -1.69 -1.36 115.58 120.04 1rpi h ASN 88 Ca -0.00 -0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.09 1rpi h ASN 88 Cb 0.24 -0.20 -0.04 0.00 -2.07 0.00 0.00 38.32 36.26 1rpi h ASN 88 CO 0.02 0.62 -1.47 -0.07 0.07 0.00 0.00 177.43 176.60 1rpi h LEU 89 N 1.05 0.07 -1.71 6.14 3.38 -1.78 -3.28 115.31 119.19 1rpi h LEU 89 Ca 0.34 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1rpi h LEU 89 Cb 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1rpi h LEU 89 CO -0.12 1.10 -0.18 0.24 0.09 0.00 0.00 178.44 179.57 1rpi h MET 90 N 0.01 0.00 0.00 1.13 2.86 -1.08 0.88 114.93 118.73 1rpi h MET 90 Ca -0.20 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 1rpi h MET 90 Cb 1.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.58 1rpi h MET 90 CO 0.11 0.18 -0.44 1.79 1.06 0.00 0.00 176.91 179.61 1rpi h THR 91 N 0.00 0.98 -0.30 2.22 1.35 -1.34 0.36 112.91 116.18 1rpi h THR 91 Ca -0.00 -1.73 -0.13 0.00 -0.55 0.00 0.00 66.41 64.00 1rpi h THR 91 Cb 0.36 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 1rpi h THR 91 CO 0.02 0.43 -0.35 1.56 -0.25 0.00 0.00 175.52 176.94 1rpi h GLN 92 N 0.00 0.67 -0.14 4.72 1.08 -0.92 -2.22 115.11 118.31 1rpi h GLN 92 Ca -0.00 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1rpi h GLN 92 Cb 1.00 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1rpi h GLN 92 CO 0.06 0.92 0.00 0.44 -0.95 0.00 0.00 178.83 179.29 1rpi n ILE 93 N -4.06 0.17 -3.08 2.54 -5.35 -0.74 -4.92 119.36 103.94 1rpi n ILE 93 Ca -0.01 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.08 1rpi n ILE 93 Cb 0.49 0.19 0.04 0.00 -1.74 0.00 0.00 39.64 38.62 1rpi n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rpi n GLY 94 N 1.02 0.13 3.73 3.28 0.00 -0.83 -5.00 105.19 107.51 1rpi n GLY 94 Ca 0.15 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1rpi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rpi s THR 96 N 0.39 1.56 -0.18 0.00 -4.23 -1.26 -4.60 115.64 107.31 1rpi s THR 96 Ca 0.13 -2.14 -0.18 0.00 -1.18 0.00 0.00 61.69 58.32 1rpi s THR 96 Cb -0.12 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 1rpi s THR 96 CO 0.01 -0.43 0.51 -0.76 -0.54 0.00 0.00 174.62 173.41 1rpi s LEU 97 N -3.36 4.17 -0.01 4.79 1.43 -1.26 -5.08 118.68 119.37 1rpi s LEU 97 Ca 0.26 0.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.12 1rpi s LEU 97 Cb 0.02 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 1rpi s LEU 97 CO 0.09 -0.14 -0.18 0.20 0.23 0.00 0.00 176.35 176.55 1rpi s ASN 98 N 1.05 2.09 0.00 2.29 0.01 -1.26 -5.30 114.94 113.82 1rpi s ASN 98 Ca 0.24 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1rpi s ASN 98 Cb -0.15 -0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.28 1rpi s ASN 98 CO 0.10 0.20 0.00 2.22 -1.51 0.00 0.00 177.10 178.11