#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbg s GLN 2 N 0.00 2.54 -0.14 0.54 0.74 -1.26 -5.11 119.66 116.97 1sbg s GLN 2 Ca 0.00 -0.67 0.01 0.00 0.05 0.00 0.00 55.36 54.75 1sbg s GLN 2 Cb 0.00 -2.16 -0.00 0.00 1.10 0.00 0.00 33.01 31.94 1sbg s GLN 2 CO 0.00 -0.11 -0.17 0.42 -0.55 0.00 0.00 175.29 174.88 1sbg s ILE 3 N 1.10 2.58 0.16 -2.34 1.01 -1.26 -5.11 121.20 117.34 1sbg s ILE 3 Ca -0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1sbg s ILE 3 Cb -0.14 -2.06 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 1sbg s ILE 3 CO -0.05 0.53 0.43 0.42 0.00 0.00 0.00 174.94 176.27 1sbg s THR 4 N 0.61 5.08 -0.74 2.92 -4.23 -1.26 -5.01 115.64 113.01 1sbg s THR 4 Ca -0.10 0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.67 1sbg s THR 4 Cb -0.16 -3.63 0.17 0.00 1.34 0.00 0.00 72.50 70.22 1sbg s THR 4 CO 0.03 0.05 0.82 0.18 -0.54 0.00 0.00 174.62 175.16 1sbg n LEU 5 N 0.16 2.23 0.27 4.79 4.77 -1.26 -4.29 117.00 123.67 1sbg n LEU 5 Ca -0.02 -1.13 0.18 0.00 -0.03 0.00 0.00 56.01 55.01 1sbg n LEU 5 Cb 0.52 -0.54 0.82 0.00 -2.33 0.00 0.00 43.42 41.88 1sbg n LEU 5 CO 0.47 0.37 1.03 -0.50 -1.33 0.00 0.00 177.39 177.42 1sbg h TRP 6 N 0.75 0.00 -3.57 -1.77 4.06 -2.06 -3.43 115.95 109.93 1sbg h TRP 6 Ca 0.02 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.55 1sbg h TRP 6 Cb 0.89 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.91 1sbg h TRP 6 CO 0.24 0.00 -0.58 -0.65 -3.56 0.00 0.00 178.44 173.89 1sbg s GLN 7 N -3.76 1.58 0.09 0.49 -0.21 -1.26 -5.12 119.66 111.47 1sbg s GLN 7 Ca -0.01 -1.89 -0.31 0.00 0.02 0.00 0.00 55.36 53.18 1sbg s GLN 7 Cb 0.10 -0.32 -0.07 0.00 1.00 0.00 0.00 33.01 33.71 1sbg s GLN 7 CO 0.47 -0.36 1.34 1.03 -2.12 0.00 0.00 175.29 175.64 1sbg s ARG 8 N -3.89 4.35 -1.00 2.91 0.52 -1.26 -4.92 118.95 115.65 1sbg s ARG 8 Ca 0.35 1.98 -0.24 0.00 -0.52 0.00 0.00 55.73 57.31 1sbg s ARG 8 Cb 0.06 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 1sbg s ARG 8 CO 0.15 -0.40 1.91 -1.25 0.02 0.00 0.00 175.30 175.74 1sbg s PRO 9 N 1.19 2.63 -0.13 3.54 0.04 -1.26 -4.94 135.00 136.07 1sbg s PRO 9 Ca 0.63 -0.63 -0.10 0.00 0.04 0.00 0.00 61.00 60.94 1sbg s PRO 9 Cb -0.34 -5.14 -0.05 0.00 0.04 0.00 0.00 34.50 29.01 1sbg s PRO 9 CO 0.30 -3.46 0.21 -0.51 0.04 0.00 0.00 177.00 173.58 1sbg s LEU 10 N 9.92 4.33 0.03 -3.56 1.43 -1.26 -0.95 118.68 128.62 1sbg s LEU 10 Ca 0.68 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1sbg s LEU 10 Cb -0.04 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 1sbg s LEU 10 CO 0.03 0.28 -0.11 0.54 0.23 0.00 0.00 176.35 177.32 1sbg s VAL 11 N -0.42 0.83 0.08 -1.59 0.11 0.87 -4.90 120.40 115.37 1sbg s VAL 11 Ca 0.15 -0.88 -0.29 0.00 -2.93 0.00 0.00 61.98 58.03 1sbg s VAL 11 Cb -0.13 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1sbg s VAL 11 CO 0.04 -0.08 0.94 -0.89 -3.33 0.00 0.00 175.10 171.78 1sbg s THR 12 N -0.86 4.59 0.21 5.04 2.01 -1.26 -1.02 115.64 124.35 1sbg s THR 12 Ca -0.02 2.03 0.10 0.00 0.31 0.00 0.00 61.69 64.11 1sbg s THR 12 Cb -0.07 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1sbg s THR 12 CO 0.01 0.29 -0.18 0.27 -0.69 0.00 0.00 174.62 174.32 1sbg s ILE 13 N 0.18 2.03 -0.24 1.82 -4.36 0.24 -2.41 121.20 118.45 1sbg s ILE 13 Ca 0.47 -2.13 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 1sbg s ILE 13 Cb -0.23 -2.04 0.06 0.00 1.25 0.00 0.00 42.46 41.50 1sbg s ILE 13 CO 0.29 -0.38 -0.09 -0.75 0.24 0.00 0.00 174.94 174.24 1sbg s LYS 14 N -3.17 2.00 -0.11 0.37 2.36 -0.57 -1.58 119.74 119.03 1sbg s LYS 14 Ca 0.22 -1.12 0.00 0.00 -2.55 0.00 0.00 55.97 52.52 1sbg s LYS 14 Cb -0.05 -2.69 0.02 0.00 -1.05 0.00 0.00 37.83 34.06 1sbg s LYS 14 CO 0.09 -0.55 -0.09 0.42 1.55 0.00 0.00 175.35 176.77 1sbg s ILE 15 N 1.26 1.13 -0.81 5.43 1.09 -0.23 -1.40 121.20 127.68 1sbg s ILE 15 Ca -0.06 -0.37 -0.05 0.00 -1.10 0.00 0.00 60.65 59.07 1sbg s ILE 15 Cb -0.19 -1.12 0.01 0.00 -1.06 0.00 0.00 42.46 40.10 1sbg s ILE 15 CO -0.06 0.38 0.56 0.61 -0.10 0.00 0.00 174.94 176.33 1sbg n GLY 16 N 4.75 -1.14 3.31 6.18 0.00 -1.26 -1.46 105.19 115.57 1sbg n GLY 16 Ca -0.15 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1sbg n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sbg n GLY 17 N -1.61 2.96 3.43 -0.02 0.00 -1.26 -4.99 105.19 103.70 1sbg n GLY 17 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1sbg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sbg s GLN 18 N -0.02 1.54 -0.15 1.61 -0.21 -0.54 -5.12 119.66 116.77 1sbg s GLN 18 Ca 0.00 -1.44 -0.04 0.00 0.02 0.00 0.00 55.36 53.90 1sbg s GLN 18 Cb 0.00 -1.89 -0.03 0.00 1.00 0.00 0.00 33.01 32.08 1sbg s GLN 18 CO 0.00 0.42 -0.01 -0.51 -2.12 0.00 0.00 175.29 173.07 1sbg s LEU 19 N -2.49 3.41 0.15 2.90 1.02 -1.26 -1.07 118.68 121.34 1sbg s LEU 19 Ca 0.19 -0.04 -0.04 0.00 0.02 0.00 0.00 54.13 54.26 1sbg s LEU 19 Cb -0.09 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.28 1sbg s LEU 19 CO 0.09 0.21 0.16 -0.54 0.02 0.00 0.00 176.35 176.29 1sbg s LYS 20 N 0.12 1.05 -0.03 1.70 -0.14 -0.62 -5.01 119.74 116.81 1sbg s LYS 20 Ca 0.00 -1.34 0.04 0.00 -1.36 0.00 0.00 55.97 53.31 1sbg s LYS 20 Cb -0.13 0.30 -0.03 0.00 -1.68 0.00 0.00 37.83 36.29 1sbg s LYS 20 CO 0.02 -0.34 -0.14 -1.21 -0.76 0.00 0.00 175.35 172.92 1sbg s GLU 21 N -4.02 2.45 0.06 1.68 2.02 -1.26 -0.60 118.70 119.03 1sbg s GLU 21 Ca 0.22 -0.73 -0.04 0.00 0.02 0.00 0.00 54.97 54.44 1sbg s GLU 21 Cb 0.06 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 1sbg s GLU 21 CO 0.02 0.61 0.05 0.00 0.02 0.00 0.00 175.26 175.96 1sbg s ALA 22 N -0.77 0.21 0.07 5.21 0.00 -0.19 -4.58 121.76 121.71 1sbg s ALA 22 Ca 0.12 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1sbg s ALA 22 Cb -0.11 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.28 1sbg s ALA 22 CO 0.02 -0.40 0.50 -1.17 0.00 0.00 0.00 175.76 174.70 1sbg s LEU 23 N -2.78 4.45 -0.41 0.00 0.20 -0.59 -0.09 118.68 119.46 1sbg s LEU 23 Ca 0.05 1.08 -0.22 0.00 0.69 0.00 0.00 54.13 55.73 1sbg s LEU 23 Cb 0.06 -2.88 0.02 0.00 -0.43 0.00 0.00 46.19 42.95 1sbg s LEU 23 CO -0.10 0.25 0.72 -0.76 -0.29 0.00 0.00 176.35 176.17 1sbg s LEU 24 N -1.36 4.29 -0.27 -0.68 1.02 -0.13 -0.95 118.68 120.60 1sbg s LEU 24 Ca 0.30 -0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.45 1sbg s LEU 24 Cb -0.17 -2.88 0.07 0.00 0.02 0.00 0.00 46.19 43.23 1sbg s LEU 24 CO 0.17 -0.78 -0.08 -0.62 0.02 0.00 0.00 176.35 175.06 1sbg s ASP 25 N 1.98 4.50 0.31 2.29 -1.08 -0.26 -4.82 116.67 119.59 1sbg s ASP 25 Ca 0.27 -1.54 0.26 0.00 -0.52 0.00 0.00 52.55 51.02 1sbg s ASP 25 Cb -0.13 -1.56 0.93 0.00 -1.46 0.00 0.00 42.92 40.70 1sbg s ASP 25 CO 0.19 -0.23 1.77 0.71 0.52 0.00 0.00 175.17 178.13 1sbg h THR 26 N 6.74 0.00 -0.27 1.71 1.35 -1.96 -2.74 112.91 117.75 1sbg h THR 26 Ca -0.16 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1sbg h THR 26 Cb 1.04 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1sbg h THR 26 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 1sbg n GLY 27 N 0.50 1.18 3.12 5.82 0.00 -1.26 -4.85 105.19 109.70 1sbg n GLY 27 Ca 0.03 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1sbg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbg s ALA 28 N -1.65 2.24 -0.06 4.61 0.00 -1.03 -4.99 121.76 120.88 1sbg s ALA 28 Ca 0.21 -1.13 0.20 0.00 0.00 0.00 0.00 51.96 51.24 1sbg s ALA 28 Cb 0.13 -1.10 0.51 0.00 0.00 0.00 0.00 23.12 22.67 1sbg s ALA 28 CO 0.10 -0.24 1.65 -0.44 0.00 0.00 0.00 175.76 176.83 1sbg h ASP 29 N 7.74 0.00 -2.03 0.00 3.32 -1.88 -0.34 116.42 123.22 1sbg h ASP 29 Ca -0.40 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.05 1sbg h ASP 29 Cb 1.16 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 1sbg h ASP 29 CO 0.60 0.30 -0.67 -1.81 -1.72 0.00 0.00 179.24 175.94 1sbg s ASP 30 N -6.30 3.96 -0.22 6.45 1.11 -1.26 -2.63 116.67 117.78 1sbg s ASP 30 Ca 0.03 -1.01 -0.14 0.00 0.18 0.00 0.00 52.55 51.60 1sbg s ASP 30 Cb 0.08 -0.46 -0.04 0.00 1.07 0.00 0.00 42.92 43.57 1sbg s ASP 30 CO 0.68 -0.13 0.32 -0.89 1.18 0.00 0.00 175.17 176.33 1sbg s THR 31 N -2.52 5.25 -0.12 -1.27 2.01 -1.26 -3.39 115.64 114.34 1sbg s THR 31 Ca 0.33 0.52 0.02 0.00 0.31 0.00 0.00 61.69 62.86 1sbg s THR 31 Cb -0.01 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.86 1sbg s THR 31 CO 0.18 0.27 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.52 1sbg s VAL 32 N 1.33 1.61 0.24 3.82 1.01 -0.46 -1.60 120.40 126.35 1sbg s VAL 32 Ca 0.15 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.52 1sbg s VAL 32 Cb -0.14 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1sbg s VAL 32 CO 0.07 0.46 -0.07 -0.76 0.00 0.00 0.00 175.10 174.81 1sbg s LEU 33 N 1.03 3.01 0.69 3.92 1.43 0.62 -0.83 118.68 128.55 1sbg s LEU 33 Ca -0.05 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 1sbg s LEU 33 Cb -0.15 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1sbg s LEU 33 CO -0.03 0.04 1.07 -1.83 0.23 0.00 0.00 176.35 175.83 1sbg s GLU 34 N -3.37 2.84 -0.44 1.70 -1.05 -1.26 -1.01 118.70 116.12 1sbg s GLU 34 Ca 0.29 1.09 -0.42 0.00 -0.15 0.00 0.00 54.97 55.77 1sbg s GLU 34 Cb -0.07 -1.97 -0.17 0.00 -0.44 0.00 0.00 34.13 31.48 1sbg s GLU 34 CO 0.17 -1.19 1.99 0.39 0.95 0.00 0.00 175.26 177.57 1sbg n GLU 35 N -2.96 0.39 -4.57 -4.83 -0.58 -1.09 -4.50 120.64 102.50 1sbg n GLU 35 Ca 0.08 0.12 -0.28 0.00 -0.42 0.00 0.00 57.16 56.67 1sbg n GLU 35 Cb 0.53 -1.78 -0.07 0.00 -0.57 0.00 0.00 31.44 29.54 1sbg n GLU 35 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1sbg s MET 36 N 5.09 2.04 -0.56 3.49 -1.94 -1.26 -5.03 119.30 121.13 1sbg s MET 36 Ca 1.12 -2.28 -0.06 0.00 -1.71 0.00 0.00 55.69 52.76 1sbg s MET 36 Cb -1.31 -0.68 0.15 0.00 2.01 0.00 0.00 34.83 34.99 1sbg s MET 36 CO 0.66 -0.53 0.40 1.21 -0.01 0.00 0.00 175.02 176.75 1sbg s ASN 37 N -3.68 5.55 -0.09 3.03 3.84 -1.26 -5.07 114.94 117.27 1sbg s ASN 37 Ca 0.18 -2.40 0.02 0.00 0.21 0.00 0.00 52.86 50.88 1sbg s ASN 37 Cb 0.01 -1.94 -0.02 0.00 -0.55 0.00 0.00 41.25 38.75 1sbg s ASN 37 CO 0.13 -0.52 -0.16 -0.76 -2.79 0.00 0.00 177.10 173.00 1sbg s LEU 38 N 0.62 2.61 0.25 3.21 1.43 -1.26 -5.00 118.68 120.55 1sbg s LEU 38 Ca 0.12 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 1sbg s LEU 38 Cb -0.21 -1.55 -0.11 0.00 0.03 0.00 0.00 46.19 44.35 1sbg s LEU 38 CO -0.03 0.25 1.57 -2.16 0.23 0.00 0.00 176.35 176.20 1sbg s PRO 39 N -0.14 4.17 0.00 1.29 0.04 -1.26 -4.95 135.00 134.15 1sbg s PRO 39 Ca -0.02 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1sbg s PRO 39 Cb -0.14 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1sbg s PRO 39 CO 0.04 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1sbg n GLY 40 N 2.68 0.79 3.75 0.56 0.00 -1.26 -5.00 105.19 106.70 1sbg n GLY 40 Ca 0.10 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 1sbg n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sbg s ARG 41 N -0.90 4.80 0.08 1.61 3.52 -1.26 -5.08 118.95 121.72 1sbg s ARG 41 Ca 0.00 1.56 0.01 0.00 -0.13 0.00 0.00 55.73 57.17 1sbg s ARG 41 Cb 0.00 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1sbg s ARG 41 CO 0.00 0.43 -0.06 1.67 -0.81 0.00 0.00 175.30 176.53 1sbg s TRP 42 N -1.10 0.81 0.02 5.12 1.48 -1.26 -4.79 118.94 119.22 1sbg s TRP 42 Ca 0.42 -0.88 0.06 0.00 -1.06 0.00 0.00 56.10 54.65 1sbg s TRP 42 Cb -0.27 -0.48 -0.02 0.00 -1.16 0.00 0.00 33.47 31.54 1sbg s TRP 42 CO 0.34 -0.17 -0.19 0.21 -4.06 0.00 0.00 176.95 173.07 1sbg s LYS 43 N -3.54 1.37 0.52 3.25 2.20 0.32 -4.81 119.74 119.04 1sbg s LYS 43 Ca 0.08 -0.82 -0.21 0.00 -0.36 0.00 0.00 55.97 54.66 1sbg s LYS 43 Cb 0.04 -1.41 -0.06 0.00 -1.51 0.00 0.00 37.83 34.88 1sbg s LYS 43 CO -0.05 0.37 1.22 -1.25 -0.36 0.00 0.00 175.35 175.28 1sbg s PRO 44 N -0.91 3.38 0.02 4.03 0.04 -1.26 0.24 135.00 140.53 1sbg s PRO 44 Ca 0.07 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 1sbg s PRO 44 Cb -0.08 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 32.32 1sbg s PRO 44 CO 0.01 -0.89 0.66 0.21 0.04 0.00 0.00 177.00 177.03 1sbg s LYS 45 N -2.97 1.12 -0.04 4.56 2.20 -0.88 -4.86 119.74 118.88 1sbg s LYS 45 Ca 0.70 0.02 0.05 0.00 -0.36 0.00 0.00 55.97 56.38 1sbg s LYS 45 Cb -0.31 0.52 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 1sbg s LYS 45 CO 0.36 -0.40 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.11 1sbg s MET 46 N -2.02 1.99 0.06 4.03 -1.94 -1.26 -0.99 119.30 119.17 1sbg s MET 46 Ca -0.07 -0.73 0.09 0.00 -1.71 0.00 0.00 55.69 53.27 1sbg s MET 46 Cb -0.00 -1.75 -0.03 0.00 2.01 0.00 0.00 34.83 35.05 1sbg s MET 46 CO 0.02 0.33 -0.23 0.96 -0.01 0.00 0.00 175.02 176.09 1sbg s ILE 47 N -0.14 1.90 -0.08 2.53 -4.36 -0.33 -4.94 121.20 115.78 1sbg s ILE 47 Ca -0.01 -1.38 -0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1sbg s ILE 47 Cb -0.11 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.90 1sbg s ILE 47 CO 0.02 0.21 0.03 -0.83 0.24 0.00 0.00 174.94 174.61 1sbg s GLY 48 N -1.41 1.92 0.00 6.27 0.00 -1.26 -0.66 107.32 112.17 1sbg s GLY 48 Ca 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1sbg s GLY 48 CO 0.03 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.17 1sbg n GLY 49 N 1.99 5.19 0.19 0.20 0.00 0.07 -4.98 105.19 107.85 1sbg n GLY 49 Ca -0.18 -1.65 0.01 0.00 0.00 0.00 0.00 46.02 44.20 1sbg n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1sbg h ILE 50 N 0.36 1.28 -0.59 -0.61 -0.00 -2.01 -2.81 117.51 113.13 1sbg h ILE 50 Ca 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 64.86 63.52 1sbg h ILE 50 Cb 0.00 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 38.50 1sbg h ILE 50 CO 0.00 0.39 0.00 0.61 -0.00 0.00 0.00 178.15 179.15 1sbg n GLY 51 N -0.39 2.96 0.00 0.16 0.00 -1.26 -5.05 105.19 101.60 1sbg n GLY 51 Ca -0.02 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1sbg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sbg n GLY 52 N 0.77 0.73 3.41 -0.02 0.00 -1.06 -5.09 105.19 103.93 1sbg n GLY 52 Ca 0.27 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 1sbg n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sbg s PHE 53 N -1.45 2.54 0.19 1.61 0.40 -1.26 -0.75 117.98 119.26 1sbg s PHE 53 Ca 0.00 -0.28 0.08 0.00 -0.60 0.00 0.00 56.93 56.13 1sbg s PHE 53 Cb 0.00 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1sbg s PHE 53 CO 0.00 0.10 -0.16 0.96 0.70 0.00 0.00 175.22 176.82 1sbg s ILE 54 N -0.70 1.80 -0.25 0.64 -4.36 0.16 -4.92 121.20 113.57 1sbg s ILE 54 Ca 0.11 -2.10 -0.16 0.00 -0.26 0.00 0.00 60.65 58.24 1sbg s ILE 54 Cb -0.10 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 1sbg s ILE 54 CO 0.00 -0.48 0.40 -0.54 0.24 0.00 0.00 174.94 174.56 1sbg s LYS 55 N -3.30 4.08 0.26 0.37 3.01 -1.26 -1.19 119.74 121.71 1sbg s LYS 55 Ca 0.20 0.13 0.06 0.00 -1.01 0.00 0.00 55.97 55.35 1sbg s LYS 55 Cb -0.03 -3.61 -0.06 0.00 -1.01 0.00 0.00 37.83 33.12 1sbg s LYS 55 CO 0.07 -0.20 -0.04 0.14 0.51 0.00 0.00 175.35 175.83 1sbg s VAL 56 N 1.84 1.44 -0.12 3.17 -7.23 -0.16 -4.53 120.40 114.80 1sbg s VAL 56 Ca 0.17 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 58.19 1sbg s VAL 56 Cb -0.15 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1sbg s VAL 56 CO 0.09 -0.31 0.10 0.00 -0.31 0.00 0.00 175.10 174.68 1sbg s ARG 57 N -3.77 3.45 -0.11 4.82 3.03 -0.05 -2.07 118.95 124.24 1sbg s ARG 57 Ca 0.29 -0.21 -0.02 0.00 2.03 0.00 0.00 55.73 57.82 1sbg s ARG 57 Cb 0.04 -3.13 -0.03 0.00 -1.03 0.00 0.00 34.95 30.81 1sbg s ARG 57 CO 0.11 0.69 -0.04 -1.14 -1.13 0.00 0.00 175.30 173.78 1sbg s GLN 58 N -0.78 3.21 -0.10 3.89 0.74 0.14 -0.64 119.66 126.12 1sbg s GLN 58 Ca 0.13 -0.51 0.04 0.00 0.05 0.00 0.00 55.36 55.07 1sbg s GLN 58 Cb -0.12 -2.78 -0.00 0.00 1.10 0.00 0.00 33.01 31.22 1sbg s GLN 58 CO 0.03 0.48 -0.23 0.71 -0.55 0.00 0.00 175.29 175.73 1sbg s TYR 59 N -0.29 2.59 0.19 1.67 2.02 0.11 -0.52 117.35 123.12 1sbg s TYR 59 Ca 0.05 -1.03 0.10 0.00 -0.37 0.00 0.00 57.07 55.82 1sbg s TYR 59 Cb -0.13 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1sbg s TYR 59 CO 0.02 -0.41 -0.14 -0.51 -1.57 0.00 0.00 175.55 172.94 1sbg s ASP 60 N 0.36 3.96 -1.41 2.29 1.01 -1.26 -0.73 116.67 120.89 1sbg s ASP 60 Ca -0.18 -0.70 -0.09 0.00 0.71 0.00 0.00 52.55 52.30 1sbg s ASP 60 Cb -0.18 -0.55 0.04 0.00 1.01 0.00 0.00 42.92 43.24 1sbg s ASP 60 CO 0.08 0.10 0.99 0.00 0.21 0.00 0.00 175.17 176.56 1sbg n GLN 61 N 0.05 -6.22 -3.33 8.23 1.13 -0.98 -4.94 117.38 111.33 1sbg n GLN 61 Ca -0.11 0.69 -0.38 0.00 -1.94 0.00 0.00 57.00 55.26 1sbg n GLN 61 Cb 0.56 -5.58 -0.06 0.00 0.11 0.00 0.00 30.24 25.27 1sbg n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1sbg s ILE 62 N -3.38 5.17 0.02 5.09 -1.09 -0.20 -4.80 121.20 122.02 1sbg s ILE 62 Ca 0.46 0.95 -0.24 0.00 -2.23 0.00 0.00 60.65 59.58 1sbg s ILE 62 Cb -0.22 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 1sbg s ILE 62 CO 0.79 0.35 0.74 -0.22 -1.23 0.00 0.00 174.94 175.37 1sbg s LEU 63 N 0.48 4.43 -0.02 2.97 2.96 -1.26 -2.01 118.68 126.22 1sbg s LEU 63 Ca 0.26 1.39 0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1sbg s LEU 63 Cb -0.15 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.36 1sbg s LEU 63 CO 0.11 -0.00 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.45 1sbg s ILE 64 N 0.08 0.49 -0.35 6.68 1.01 -0.68 -4.34 121.20 124.08 1sbg s ILE 64 Ca 0.38 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 1sbg s ILE 64 Cb -0.20 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.84 1sbg s ILE 64 CO 0.22 0.16 0.19 -1.61 0.00 0.00 0.00 174.94 173.90 1sbg s GLU 65 N 0.21 3.06 -0.31 2.79 2.02 -0.49 -1.38 118.70 124.59 1sbg s GLU 65 Ca -0.02 -0.92 -0.07 0.00 0.02 0.00 0.00 54.97 53.98 1sbg s GLU 65 Cb -0.06 -3.67 0.02 0.00 0.10 0.00 0.00 34.13 30.51 1sbg s GLU 65 CO -0.00 -0.58 0.10 0.42 0.02 0.00 0.00 175.26 175.22 1sbg s ILE 66 N 1.59 3.99 -1.36 -1.63 1.01 0.61 -1.52 121.20 123.89 1sbg s ILE 66 Ca 0.03 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 1sbg s ILE 66 Cb -0.18 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1sbg s ILE 66 CO 0.07 0.00 0.47 0.00 0.00 0.00 0.00 174.94 175.48 1sbg n GLY 68 N -1.97 0.39 3.47 0.00 0.00 -1.26 -4.95 105.19 100.87 1sbg n GLY 68 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1sbg n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sbg s HIS 69 N -1.89 3.06 -0.02 1.61 4.02 -0.20 -5.08 115.29 116.79 1sbg s HIS 69 Ca 0.00 -0.38 -0.11 0.00 1.02 0.00 0.00 55.06 55.59 1sbg s HIS 69 Cb 0.00 -2.07 -0.05 0.00 -1.02 0.00 0.00 32.58 29.44 1sbg s HIS 69 CO 0.00 -0.18 0.31 0.15 1.02 0.00 0.00 174.74 176.05 1sbg s LYS 70 N 0.87 3.72 0.15 1.40 1.02 -1.26 -0.28 119.74 125.35 1sbg s LYS 70 Ca 0.01 0.17 -0.05 0.00 0.02 0.00 0.00 55.97 56.11 1sbg s LYS 70 Cb -0.14 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1sbg s LYS 70 CO 0.02 0.69 0.18 0.00 -0.92 0.00 0.00 175.35 175.33 1sbg s ALA 71 N -1.14 0.38 -0.06 5.17 0.00 -0.48 -4.93 121.76 120.70 1sbg s ALA 71 Ca 0.23 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1sbg s ALA 71 Cb -0.15 0.86 0.03 0.00 0.00 0.00 0.00 23.12 23.87 1sbg s ALA 71 CO 0.12 -0.58 0.15 -1.50 0.00 0.00 0.00 175.76 173.95 1sbg s ILE 72 N -4.00 -0.04 0.00 0.00 2.07 -1.26 -1.69 121.20 116.28 1sbg s ILE 72 Ca 0.20 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.57 1sbg s ILE 72 Cb 0.05 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.41 1sbg s ILE 72 CO 0.01 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 1sbg n GLY 73 N 3.90 1.55 3.73 1.50 0.00 -0.85 -4.92 105.19 110.10 1sbg n GLY 73 Ca -0.23 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1sbg n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sbg s THR 74 N -2.52 5.03 -0.11 2.61 2.01 -1.26 -1.03 115.64 120.38 1sbg s THR 74 Ca 0.00 1.35 0.04 0.00 0.31 0.00 0.00 61.69 63.39 1sbg s THR 74 Cb 0.00 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1sbg s THR 74 CO 0.00 0.29 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.30 1sbg s VAL 75 N 0.59 2.03 -0.18 3.82 1.01 0.09 -4.47 120.40 123.30 1sbg s VAL 75 Ca 0.35 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 1sbg s VAL 75 Cb -0.18 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1sbg s VAL 75 CO 0.17 0.55 0.07 -0.76 0.00 0.00 0.00 175.10 175.14 1sbg s LEU 76 N 0.43 3.89 -0.06 3.92 1.43 -0.63 -0.71 118.68 126.95 1sbg s LEU 76 Ca -0.17 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1sbg s LEU 76 Cb -0.18 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1sbg s LEU 76 CO 0.07 0.20 -0.15 -0.69 0.23 0.00 0.00 176.35 176.01 1sbg s VAL 77 N 0.21 3.00 -0.87 -1.59 1.01 0.19 -0.28 120.40 122.07 1sbg s VAL 77 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1sbg s VAL 77 Cb -0.12 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1sbg s VAL 77 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1sbg n GLY 78 N 2.44 -0.75 2.44 4.51 0.00 -0.18 -0.87 105.19 112.79 1sbg n GLY 78 Ca -0.17 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 1sbg n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sbg n PRO 79 N 0.00 3.16 -3.52 1.61 -0.04 -1.26 -2.68 135.00 132.27 1sbg n PRO 79 Ca 0.00 -2.02 -0.35 0.00 -0.04 0.00 0.00 63.50 61.09 1sbg n PRO 79 Cb 0.00 -2.75 -0.05 0.00 -0.04 0.00 0.00 33.50 30.66 1sbg n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1sbg s THR 80 N 2.65 5.04 0.36 0.52 -1.32 -1.26 -5.01 115.64 116.61 1sbg s THR 80 Ca 0.60 0.53 0.04 0.00 -1.21 0.00 0.00 61.69 61.65 1sbg s THR 80 Cb 0.16 -3.67 0.22 0.00 -1.51 0.00 0.00 72.50 67.70 1sbg s THR 80 CO -0.05 0.27 1.96 -0.65 -2.21 0.00 0.00 174.62 173.94 1sbg h PRO 81 N 3.64 0.63 -4.59 7.08 0.11 -1.99 -3.44 132.00 133.44 1sbg h PRO 81 Ca -0.49 -0.08 -0.22 0.00 0.11 0.00 0.00 66.00 65.32 1sbg h PRO 81 Cb 1.19 -0.12 -0.16 0.00 0.11 0.00 0.00 31.00 32.02 1sbg h PRO 81 CO 0.66 0.51 -0.70 0.14 -0.21 0.00 0.00 178.00 178.40 1sbg s VAL 82 N -5.33 0.61 0.11 3.15 -7.23 -1.26 -5.07 120.40 105.38 1sbg s VAL 82 Ca -0.09 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 1sbg s VAL 82 Cb 0.17 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.62 1sbg s VAL 82 CO 0.76 -0.78 0.95 0.20 -0.31 0.00 0.00 175.10 175.91 1sbg s ASN 83 N -2.71 7.48 -0.08 4.85 0.01 -1.26 -4.67 114.94 118.57 1sbg s ASN 83 Ca 0.07 1.78 0.05 0.00 -0.71 0.00 0.00 52.86 54.04 1sbg s ASN 83 Cb 0.02 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.10 1sbg s ASN 83 CO -0.04 -0.05 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.64 1sbg s ILE 84 N -0.06 1.93 -0.34 0.60 1.01 -0.01 -1.54 121.20 122.79 1sbg s ILE 84 Ca 0.46 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 1sbg s ILE 84 Cb -0.23 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1sbg s ILE 84 CO 0.29 0.53 0.16 -0.63 0.00 0.00 0.00 174.94 175.30 1sbg s ILE 85 N 0.19 4.40 0.27 2.92 -1.09 -0.13 -1.35 121.20 126.41 1sbg s ILE 85 Ca -0.13 -0.72 0.04 0.00 -2.23 0.00 0.00 60.65 57.61 1sbg s ILE 85 Cb -0.16 -3.36 0.04 0.00 -1.58 0.00 0.00 42.46 37.39 1sbg s ILE 85 CO 0.06 -0.08 0.31 0.61 -1.23 0.00 0.00 174.94 174.61 1sbg n GLY 86 N 4.95 2.30 0.25 6.18 0.00 -1.22 -1.10 105.19 116.54 1sbg n GLY 86 Ca -0.13 -2.20 0.08 0.00 0.00 0.00 0.00 46.02 43.78 1sbg n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sbg h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -1.10 -1.49 114.38 116.49 1sbg h ARG 87 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1sbg h ARG 87 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1sbg h ARG 87 CO 0.21 0.12 0.00 -2.95 -1.07 0.00 0.00 179.97 176.28 1sbg h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.77 -2.73 115.58 117.05 1sbg h ASN 88 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.27 1sbg h ASN 88 Cb 0.24 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.48 1sbg h ASN 88 CO 0.02 0.00 -1.45 0.18 0.07 0.00 0.00 177.43 176.24 1sbg n LEU 89 N -2.95 0.00 -0.12 6.14 4.32 -0.64 -4.64 117.00 119.11 1sbg n LEU 89 Ca -0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.96 1sbg n LEU 89 Cb 0.12 0.13 0.24 0.00 -1.62 0.00 0.00 43.42 42.29 1sbg n LEU 89 CO 0.20 0.13 1.05 -0.07 -1.22 0.00 0.00 177.39 177.48 1sbg h LEU 90 N 0.00 0.73 -1.05 2.23 3.38 -1.15 -1.66 115.31 117.79 1sbg h LEU 90 Ca -0.14 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1sbg h LEU 90 Cb 1.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1sbg h LEU 90 CO 0.01 0.66 -0.43 0.71 0.09 0.00 0.00 178.44 179.48 1sbg h THR 91 N 0.79 1.13 -0.27 0.22 1.35 -1.76 -1.97 112.91 112.40 1sbg h THR 91 Ca 0.19 -1.56 -0.12 0.00 -0.55 0.00 0.00 66.41 64.37 1sbg h THR 91 Cb 0.17 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1sbg h THR 91 CO -0.02 0.42 -0.34 1.56 -0.25 0.00 0.00 175.52 176.90 1sbg h GLN 92 N 0.00 0.58 -0.36 4.72 4.20 -1.56 -2.44 115.11 120.25 1sbg h GLN 92 Ca -0.00 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1sbg h GLN 92 Cb 0.85 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1sbg h GLN 92 CO 0.06 0.84 0.00 0.44 -0.67 0.00 0.00 178.83 179.49 1sbg n ILE 93 N -4.06 0.48 -2.09 2.54 -5.35 -1.20 -4.91 119.36 104.77 1sbg n ILE 93 Ca -0.01 -0.47 -0.04 0.00 -0.27 0.00 0.00 62.75 61.96 1sbg n ILE 93 Cb 0.48 0.22 -0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1sbg n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sbg n GLY 94 N 1.05 0.23 3.68 3.28 0.00 -0.92 -5.01 105.19 107.50 1sbg n GLY 94 Ca 0.12 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1sbg n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbg s THR 96 N 1.98 2.51 0.00 0.00 -4.23 -1.26 -4.70 115.64 109.95 1sbg s THR 96 Ca 0.42 -1.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1sbg s THR 96 Cb -0.17 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 1sbg s THR 96 CO 0.15 -0.10 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.80 1sbg s LEU 97 N -3.81 2.99 -0.11 4.79 2.96 -1.26 -5.10 118.68 119.15 1sbg s LEU 97 Ca 0.38 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 1sbg s LEU 97 Cb 0.02 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 45.03 1sbg s LEU 97 CO 0.21 0.29 0.29 0.20 -1.32 0.00 0.00 176.35 176.02 1sbg s ASN 98 N -1.32 -0.31 0.00 3.68 0.01 -1.26 -5.29 114.94 110.46 1sbg s ASN 98 Ca 0.16 0.59 0.00 0.00 -0.71 0.00 0.00 52.86 52.90 1sbg s ASN 98 Cb -0.11 0.58 0.00 0.00 0.41 0.00 0.00 41.25 42.13 1sbg s ASN 98 CO 0.06 -0.11 0.00 2.22 -1.51 0.00 0.00 177.10 177.76