#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gnn s GLN 2 N 0.00 3.11 -0.21 0.54 0.74 -1.26 -5.10 119.66 117.48 1gnn s GLN 2 Ca 0.00 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 54.58 1gnn s GLN 2 Cb 0.00 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.45 1gnn s GLN 2 CO 0.00 -0.13 -0.02 0.42 -0.55 0.00 0.00 175.29 175.02 1gnn s ILE 3 N 1.15 3.69 0.32 -2.34 1.01 -1.26 -5.10 121.20 118.66 1gnn s ILE 3 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1gnn s ILE 3 Cb -0.14 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1gnn s ILE 3 CO -0.07 0.42 0.54 0.42 0.00 0.00 0.00 174.94 176.25 1gnn s THR 4 N 1.30 5.09 -0.82 2.92 -4.23 -1.26 -5.05 115.64 113.59 1gnn s THR 4 Ca 0.04 -0.29 0.17 0.00 -1.18 0.00 0.00 61.69 60.42 1gnn s THR 4 Cb -0.14 -3.81 0.65 0.00 1.34 0.00 0.00 72.50 70.53 1gnn s THR 4 CO -0.00 -0.46 1.56 0.18 -0.54 0.00 0.00 174.62 175.36 1gnn n LEU 5 N -1.44 4.49 0.25 4.79 4.77 -1.26 -4.31 117.00 124.29 1gnn n LEU 5 Ca -0.04 -2.55 0.07 0.00 -0.03 0.00 0.00 56.01 53.46 1gnn n LEU 5 Cb 0.55 -0.54 0.60 0.00 -2.33 0.00 0.00 43.42 41.71 1gnn n LEU 5 CO 0.49 0.76 1.02 -0.50 -1.33 0.00 0.00 177.39 177.83 1gnn h TRP 6 N 3.39 0.00 -2.95 -1.77 4.06 -2.06 -3.42 115.95 113.19 1gnn h TRP 6 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 1gnn h TRP 6 Cb 1.42 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 29.42 1gnn h TRP 6 CO 0.69 0.05 -0.78 -1.14 -3.56 0.00 0.00 178.44 173.70 1gnn s GLN 7 N -4.95 1.44 0.06 0.49 2.00 -1.26 -5.08 119.66 112.36 1gnn s GLN 7 Ca -0.05 -1.55 -0.37 0.00 -2.00 0.00 0.00 55.36 51.40 1gnn s GLN 7 Cb 0.17 -1.54 -0.16 0.00 0.80 0.00 0.00 33.01 32.27 1gnn s GLN 7 CO 0.68 0.31 1.41 0.54 -0.50 0.00 0.00 175.29 177.73 1gnn n ARG 8 N -0.02 1.29 -2.16 1.67 3.00 -1.26 -4.87 116.66 114.31 1gnn n ARG 8 Ca -0.10 0.47 -0.30 0.00 -0.01 0.00 0.00 57.85 57.90 1gnn n ARG 8 Cb 0.58 -2.13 -0.05 0.00 0.00 0.00 0.00 32.46 30.86 1gnn n ARG 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1gnn s PRO 9 N 0.86 2.79 -0.06 5.56 0.04 -1.26 -4.96 135.00 137.97 1gnn s PRO 9 Ca 0.85 -0.75 -0.00 0.00 0.04 0.00 0.00 61.00 61.14 1gnn s PRO 9 Cb -0.92 -5.18 -0.03 0.00 0.04 0.00 0.00 34.50 28.40 1gnn s PRO 9 CO 0.47 -3.29 -0.01 -0.51 0.04 0.00 0.00 177.00 173.71 1gnn s LEU 10 N 9.19 3.50 0.04 -3.56 1.43 -1.26 -0.83 118.68 127.18 1gnn s LEU 10 Ca 0.65 0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.74 1gnn s LEU 10 Cb -0.03 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1gnn s LEU 10 CO 0.02 0.34 0.17 0.54 0.23 0.00 0.00 176.35 177.65 1gnn s VAL 11 N -0.94 0.11 -0.01 -1.59 0.11 0.13 -4.92 120.40 113.30 1gnn s VAL 11 Ca 0.15 -0.92 -0.28 0.00 -2.93 0.00 0.00 61.98 58.00 1gnn s VAL 11 Cb -0.11 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1gnn s VAL 11 CO 0.05 -0.51 0.89 -0.89 -3.33 0.00 0.00 175.10 171.31 1gnn s THR 12 N -2.47 4.90 0.16 5.04 2.01 -1.26 -0.22 115.64 123.80 1gnn s THR 12 Ca -0.06 1.86 0.09 0.00 0.31 0.00 0.00 61.69 63.90 1gnn s THR 12 Cb -0.02 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1gnn s THR 12 CO -0.03 0.20 -0.21 0.27 -0.69 0.00 0.00 174.62 174.16 1gnn s ILE 13 N 0.85 1.99 -0.14 1.82 -4.36 -0.65 0.41 121.20 121.12 1gnn s ILE 13 Ca 0.47 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1gnn s ILE 13 Cb -0.20 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.64 1gnn s ILE 13 CO 0.25 -0.19 -0.17 -0.75 0.24 0.00 0.00 174.94 174.32 1gnn s LYS 14 N -2.57 2.48 -0.18 0.37 2.20 -0.46 -0.30 119.74 121.28 1gnn s LYS 14 Ca 0.16 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 55.05 1gnn s LYS 14 Cb -0.07 -2.15 0.07 0.00 -1.51 0.00 0.00 37.83 34.17 1gnn s LYS 14 CO 0.07 -0.14 0.40 -1.50 -0.36 0.00 0.00 175.35 173.82 1gnn s ILE 15 N 1.19 -0.35 -1.15 5.43 2.07 0.87 -1.42 121.20 127.85 1gnn s ILE 15 Ca -0.01 0.14 -0.06 0.00 -1.41 0.00 0.00 60.65 59.32 1gnn s ILE 15 Cb -0.14 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.84 1gnn s ILE 15 CO -0.07 0.06 0.78 0.61 -1.91 0.00 0.00 174.94 174.42 1gnn n GLY 16 N 4.87 -0.26 2.36 1.50 0.00 -1.26 -1.99 105.19 110.41 1gnn n GLY 16 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1gnn n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnn n GLY 17 N -1.59 1.65 3.58 -0.02 0.00 -1.26 -5.01 105.19 102.53 1gnn n GLY 17 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1gnn n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gnn s GLN 18 N -0.21 2.70 -0.10 1.61 -0.21 -0.84 -5.12 119.66 117.49 1gnn s GLN 18 Ca 0.00 -0.59 -0.18 0.00 0.02 0.00 0.00 55.36 54.61 1gnn s GLN 18 Cb 0.00 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1gnn s GLN 18 CO 0.00 0.65 0.47 -0.51 -2.12 0.00 0.00 175.29 173.78 1gnn s LEU 19 N -0.93 4.31 0.20 2.90 1.02 -1.26 -0.09 118.68 124.82 1gnn s LEU 19 Ca 0.13 0.85 -0.06 0.00 0.02 0.00 0.00 54.13 55.07 1gnn s LEU 19 Cb -0.11 -2.69 -0.02 0.00 0.02 0.00 0.00 46.19 43.39 1gnn s LEU 19 CO 0.03 0.05 0.24 -0.54 0.02 0.00 0.00 176.35 176.15 1gnn s LYS 20 N 0.36 1.24 -0.09 1.70 1.02 0.59 -4.98 119.74 119.59 1gnn s LYS 20 Ca 0.26 -1.41 0.02 0.00 0.02 0.00 0.00 55.97 54.85 1gnn s LYS 20 Cb -0.15 0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.48 1gnn s LYS 20 CO 0.11 -0.44 -0.14 -1.21 -0.92 0.00 0.00 175.35 172.74 1gnn s GLU 21 N -4.07 2.99 0.05 1.68 2.02 -1.26 -1.63 118.70 118.47 1gnn s GLU 21 Ca 0.28 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.60 1gnn s GLU 21 Cb 0.04 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 1gnn s GLU 21 CO 0.07 0.39 -0.09 0.00 0.02 0.00 0.00 175.26 175.66 1gnn s ALA 22 N -0.13 0.69 0.07 5.21 0.00 0.70 -4.55 121.76 123.75 1gnn s ALA 22 Ca -0.01 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 50.91 1gnn s ALA 22 Cb -0.14 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 1gnn s ALA 22 CO 0.03 0.02 0.71 -1.17 0.00 0.00 0.00 175.76 175.36 1gnn s LEU 23 N -1.58 4.49 -0.33 0.00 0.20 0.09 0.20 118.68 121.76 1gnn s LEU 23 Ca -0.08 1.42 -0.25 0.00 0.69 0.00 0.00 54.13 55.91 1gnn s LEU 23 Cb -0.10 -3.15 0.01 0.00 -0.43 0.00 0.00 46.19 42.52 1gnn s LEU 23 CO 0.01 0.11 0.88 -0.76 -0.29 0.00 0.00 176.35 176.30 1gnn s LEU 24 N -0.47 4.04 -0.31 -0.68 1.02 -0.01 -1.69 118.68 120.58 1gnn s LEU 24 Ca 0.35 0.70 0.01 0.00 0.02 0.00 0.00 54.13 55.21 1gnn s LEU 24 Cb -0.21 -3.21 0.09 0.00 0.02 0.00 0.00 46.19 42.88 1gnn s LEU 24 CO 0.22 -0.74 0.06 -0.62 0.02 0.00 0.00 176.35 175.30 1gnn s ASP 25 N 1.70 4.23 0.37 2.29 2.15 -0.88 -4.80 116.67 121.74 1gnn s ASP 25 Ca 0.36 -1.75 0.28 0.00 0.43 0.00 0.00 52.55 51.87 1gnn s ASP 25 Cb -0.13 -1.15 1.12 0.00 -0.30 0.00 0.00 42.92 42.46 1gnn s ASP 25 CO 0.15 -0.38 1.82 0.71 -0.17 0.00 0.00 175.17 177.29 1gnn h THR 26 N 6.55 0.00 -0.11 1.71 1.35 -1.94 -2.66 112.91 117.81 1gnn h THR 26 Ca -0.11 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1gnn h THR 26 Cb 1.02 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1gnn h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1gnn n GLY 27 N 0.07 -0.46 3.19 5.82 0.00 -1.26 -4.76 105.19 107.79 1gnn n GLY 27 Ca 0.02 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1gnn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnn s ALA 28 N -1.86 2.54 0.23 4.61 0.00 -1.00 -4.99 121.76 121.29 1gnn s ALA 28 Ca 0.12 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 1gnn s ALA 28 Cb 0.06 -1.43 0.21 0.00 0.00 0.00 0.00 23.12 21.96 1gnn s ALA 28 CO 0.09 -0.47 1.90 -0.44 0.00 0.00 0.00 175.76 176.84 1gnn h ASP 29 N 8.00 1.03 -1.91 0.00 3.32 -1.86 0.45 116.42 125.44 1gnn h ASP 29 Ca -0.42 -0.04 -0.55 0.00 0.02 0.00 0.00 57.03 56.04 1gnn h ASP 29 Cb 1.14 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 40.35 1gnn h ASP 29 CO 0.61 0.76 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.52 1gnn s ASP 30 N -6.04 4.58 -0.26 6.45 1.01 -1.26 -1.89 116.67 119.27 1gnn s ASP 30 Ca -0.13 -0.80 -0.08 0.00 0.71 0.00 0.00 52.55 52.25 1gnn s ASP 30 Cb 0.17 -0.71 -0.03 0.00 1.01 0.00 0.00 42.92 43.36 1gnn s ASP 30 CO 0.80 -0.26 0.10 -0.89 0.21 0.00 0.00 175.17 175.13 1gnn s THR 31 N -2.43 4.57 -0.15 -1.27 2.01 -1.26 -3.35 115.64 113.76 1gnn s THR 31 Ca 0.37 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1gnn s THR 31 Cb -0.02 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1gnn s THR 31 CO 0.22 0.32 -0.16 0.54 -0.69 0.00 0.00 174.62 174.85 1gnn s VAL 32 N 1.63 1.70 0.05 3.82 0.11 -0.48 -0.61 120.40 126.60 1gnn s VAL 32 Ca 0.06 -0.72 0.09 0.00 -2.93 0.00 0.00 61.98 58.48 1gnn s VAL 32 Cb -0.15 -1.56 -0.03 0.00 -1.53 0.00 0.00 36.38 33.10 1gnn s VAL 32 CO 0.05 0.48 -0.26 -0.76 -3.33 0.00 0.00 175.10 171.29 1gnn s LEU 33 N 1.34 2.17 0.53 2.54 2.01 -0.37 0.55 118.68 127.44 1gnn s LEU 33 Ca 0.03 -0.58 -0.18 0.00 0.01 0.00 0.00 54.13 53.40 1gnn s LEU 33 Cb -0.13 -1.25 -0.12 0.00 0.01 0.00 0.00 46.19 44.69 1gnn s LEU 33 CO -0.09 0.25 0.18 -1.84 1.01 0.00 0.00 176.35 175.85 1gnn n GLU 34 N 1.78 0.24 -1.61 1.70 0.28 -1.26 -1.92 120.64 119.84 1gnn n GLU 34 Ca -0.17 0.09 -0.50 0.00 -0.16 0.00 0.00 57.16 56.42 1gnn n GLU 34 Cb 0.52 -1.32 -0.06 0.00 1.43 0.00 0.00 31.44 32.02 1gnn n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1gnn n GLU 35 N 0.80 1.65 -4.08 3.44 0.00 -1.20 -4.56 120.64 116.69 1gnn n GLU 35 Ca 0.10 0.56 -0.12 0.00 0.00 0.00 0.00 57.16 57.70 1gnn n GLU 35 Cb 0.47 -2.54 -0.06 0.00 0.00 0.00 0.00 31.44 29.31 1gnn n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1gnn s MET 36 N 4.82 1.58 -0.48 5.31 0.23 -1.26 -5.04 119.30 124.45 1gnn s MET 36 Ca 1.00 -1.52 -0.28 0.00 -1.03 0.00 0.00 55.69 53.86 1gnn s MET 36 Cb -0.78 0.41 0.03 0.00 -1.53 0.00 0.00 34.83 32.96 1gnn s MET 36 CO 0.52 -0.63 1.07 -1.12 -2.03 0.00 0.00 175.02 172.84 1gnn s SER 37 N -3.13 6.57 -0.06 -1.18 0.01 -1.26 -5.02 113.70 109.64 1gnn s SER 37 Ca 0.29 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1gnn s SER 37 Cb 0.01 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.75 1gnn s SER 37 CO 0.14 -1.21 -0.03 -0.22 0.41 0.00 0.00 173.24 172.33 1gnn s LEU 38 N 4.27 1.06 0.56 2.44 2.96 -1.26 -4.92 118.68 123.79 1gnn s LEU 38 Ca 0.44 -0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 54.03 1gnn s LEU 38 Cb -0.08 -0.48 -0.05 0.00 0.50 0.00 0.00 46.19 46.08 1gnn s LEU 38 CO 0.30 -0.11 1.18 -2.16 -1.32 0.00 0.00 176.35 174.24 1gnn s PRO 39 N 1.34 3.19 0.00 0.98 0.04 -1.26 -4.94 135.00 134.35 1gnn s PRO 39 Ca -0.04 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1gnn s PRO 39 Cb -0.13 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1gnn s PRO 39 CO -0.02 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1gnn n GLY 40 N 0.37 -0.07 3.77 0.56 0.00 -1.26 -5.04 105.19 103.53 1gnn n GLY 40 Ca 0.12 -2.27 -0.25 0.00 0.00 0.00 0.00 46.02 43.61 1gnn n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gnn s ARG 41 N -0.16 2.79 0.22 1.61 3.00 -1.26 -5.12 118.95 120.03 1gnn s ARG 41 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 55.73 54.67 1gnn s ARG 41 Cb 0.00 -2.56 -0.01 0.00 0.00 0.00 0.00 34.95 32.38 1gnn s ARG 41 CO 0.00 0.46 0.35 1.67 0.00 0.00 0.00 175.30 177.78 1gnn s TRP 42 N -1.84 0.58 -0.04 -0.53 1.48 -1.26 -4.68 118.94 112.65 1gnn s TRP 42 Ca 0.31 -0.91 0.07 0.00 -1.06 0.00 0.00 56.10 54.51 1gnn s TRP 42 Cb -0.09 -0.06 -0.02 0.00 -1.16 0.00 0.00 33.47 32.14 1gnn s TRP 42 CO 0.23 -0.84 -0.24 0.15 -4.06 0.00 0.00 176.95 172.18 1gnn s LYS 43 N -4.05 2.32 0.38 3.25 1.02 -1.10 -4.86 119.74 116.71 1gnn s LYS 43 Ca 0.26 -0.90 -0.28 0.00 0.02 0.00 0.00 55.97 55.08 1gnn s LYS 43 Cb 0.02 -2.12 -0.11 0.00 -0.52 0.00 0.00 37.83 35.10 1gnn s LYS 43 CO 0.08 0.50 1.46 -2.30 -0.92 0.00 0.00 175.35 174.17 1gnn n PRO 44 N 2.62 2.58 -4.00 -1.68 -0.02 -1.26 0.18 135.00 133.42 1gnn n PRO 44 Ca -0.17 0.91 -0.09 0.00 -2.02 0.00 0.00 63.50 62.13 1gnn n PRO 44 Cb 0.51 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 1gnn n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1gnn s LYS 45 N -2.13 1.45 -0.05 -0.52 2.20 -0.16 -4.81 119.74 115.71 1gnn s LYS 45 Ca 0.54 -1.26 -0.04 0.00 -0.36 0.00 0.00 55.97 54.85 1gnn s LYS 45 Cb -0.48 0.44 0.02 0.00 -1.51 0.00 0.00 37.83 36.30 1gnn s LYS 45 CO 0.63 -0.58 0.13 -1.64 -0.36 0.00 0.00 175.35 173.52 1gnn s MET 46 N -4.02 0.12 0.22 4.03 -1.94 -1.26 -1.40 119.30 115.05 1gnn s MET 46 Ca 0.23 0.24 0.09 0.00 -1.71 0.00 0.00 55.69 54.54 1gnn s MET 46 Cb 0.01 -0.03 -0.05 0.00 2.01 0.00 0.00 34.83 36.77 1gnn s MET 46 CO 0.07 -0.07 -0.16 0.96 -0.01 0.00 0.00 175.02 175.81 1gnn s ILE 47 N 0.47 1.94 0.25 2.53 -4.36 -0.86 -4.96 121.20 116.20 1gnn s ILE 47 Ca -0.03 -2.27 0.10 0.00 -0.26 0.00 0.00 60.65 58.19 1gnn s ILE 47 Cb -0.05 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 1gnn s ILE 47 CO -0.02 -0.54 -0.06 -0.83 0.24 0.00 0.00 174.94 173.72 1gnn s GLY 48 N -3.37 1.71 0.00 6.27 0.00 -1.26 0.41 107.32 111.09 1gnn s GLY 48 Ca 0.24 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1gnn s GLY 48 CO 0.09 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.09 1gnn n GLY 49 N -0.61 3.87 3.75 0.20 0.00 -0.77 -5.00 105.19 106.62 1gnn n GLY 49 Ca -0.07 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1gnn n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gnn s ILE 50 N -0.71 3.79 0.00 -0.61 2.07 -1.26 -2.90 121.20 121.58 1gnn s ILE 50 Ca 0.00 1.67 0.00 0.00 -1.41 0.00 0.00 60.65 60.91 1gnn s ILE 50 Cb 0.00 -4.07 0.00 0.00 0.13 0.00 0.00 42.46 38.52 1gnn s ILE 50 CO 0.00 0.35 0.00 0.61 -1.91 0.00 0.00 174.94 173.99 1gnn n GLY 51 N 1.65 3.05 0.00 1.50 0.00 -1.26 -4.97 105.19 105.16 1gnn n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gnn n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnn n GLY 52 N -0.79 0.73 3.57 -0.02 0.00 -1.14 -5.10 105.19 102.44 1gnn n GLY 52 Ca 0.00 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 1gnn n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gnn s PHE 53 N -3.39 2.90 0.22 1.61 -0.71 -1.26 -1.85 117.98 115.50 1gnn s PHE 53 Ca 0.00 -0.01 0.10 0.00 -1.04 0.00 0.00 56.93 55.98 1gnn s PHE 53 Cb 0.00 -1.68 -0.05 0.00 -1.21 0.00 0.00 43.02 40.08 1gnn s PHE 53 CO 0.00 0.32 -0.18 0.96 -1.34 0.00 0.00 175.22 174.98 1gnn s ILE 54 N -0.83 2.06 -0.19 -4.49 -4.36 0.17 -4.98 121.20 108.57 1gnn s ILE 54 Ca 0.13 -2.21 -0.14 0.00 -0.26 0.00 0.00 60.65 58.17 1gnn s ILE 54 Cb -0.11 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 1gnn s ILE 54 CO 0.02 -0.44 0.31 -0.75 0.24 0.00 0.00 174.94 174.33 1gnn s LYS 55 N -3.36 4.19 0.19 0.37 2.20 -1.26 -2.04 119.74 120.03 1gnn s LYS 55 Ca 0.24 0.07 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 1gnn s LYS 55 Cb -0.04 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1gnn s LYS 55 CO 0.10 0.08 -0.05 0.14 -0.36 0.00 0.00 175.35 175.26 1gnn s VAL 56 N 0.96 1.08 -0.14 4.02 -7.23 -0.49 -4.31 120.40 114.29 1gnn s VAL 56 Ca 0.16 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1gnn s VAL 56 Cb -0.14 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1gnn s VAL 56 CO 0.06 -0.53 0.03 -0.13 -0.31 0.00 0.00 175.10 174.22 1gnn s ARG 57 N -3.81 3.58 -0.31 4.82 0.52 -1.06 -0.99 118.95 121.69 1gnn s ARG 57 Ca 0.23 -0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 54.93 1gnn s ARG 57 Cb 0.04 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 1gnn s ARG 57 CO 0.05 0.44 0.29 -1.14 0.02 0.00 0.00 175.30 174.96 1gnn s GLN 58 N -0.13 3.71 -0.23 3.54 0.74 0.13 -2.22 119.66 125.20 1gnn s GLN 58 Ca 0.06 -0.38 -0.05 0.00 0.05 0.00 0.00 55.36 55.04 1gnn s GLN 58 Cb -0.12 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.22 1gnn s GLN 58 CO 0.02 -0.38 -0.00 0.71 -0.55 0.00 0.00 175.29 175.09 1gnn s TYR 59 N 1.88 3.00 0.25 1.67 1.51 -0.57 -2.69 117.35 122.40 1gnn s TYR 59 Ca 0.10 -0.73 -0.04 0.00 -1.01 0.00 0.00 57.07 55.39 1gnn s TYR 59 Cb -0.17 -2.14 -0.05 0.00 -0.11 0.00 0.00 41.96 39.49 1gnn s TYR 59 CO 0.11 -0.46 0.49 -0.51 -1.11 0.00 0.00 175.55 174.07 1gnn s ASP 60 N 1.47 6.45 -1.55 2.29 1.11 -1.26 0.33 116.67 125.52 1gnn s ASP 60 Ca 0.05 0.64 -0.11 0.00 0.18 0.00 0.00 52.55 53.31 1gnn s ASP 60 Cb -0.15 -2.11 0.09 0.00 1.07 0.00 0.00 42.92 41.82 1gnn s ASP 60 CO -0.01 -0.12 0.75 0.00 1.18 0.00 0.00 175.17 176.97 1gnn n GLN 61 N -0.69 -4.05 -3.12 8.23 6.02 -1.08 -4.87 117.38 117.82 1gnn n GLN 61 Ca -0.02 0.47 -0.39 0.00 -0.01 0.00 0.00 57.00 57.04 1gnn n GLN 61 Cb 0.53 -5.08 -0.06 0.00 1.02 0.00 0.00 30.24 26.66 1gnn n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1gnn s ILE 62 N -3.49 4.78 0.05 5.09 -1.09 -0.26 -4.68 121.20 121.60 1gnn s ILE 62 Ca 0.47 1.41 -0.30 0.00 -2.23 0.00 0.00 60.65 60.01 1gnn s ILE 62 Cb -0.25 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1gnn s ILE 62 CO 0.88 0.43 0.96 -0.22 -1.23 0.00 0.00 174.94 175.76 1gnn s LEU 63 N -0.35 4.43 -0.00 2.97 2.96 -1.26 -2.30 118.68 125.12 1gnn s LEU 63 Ca 0.34 1.71 0.04 0.00 -0.22 0.00 0.00 54.13 55.99 1gnn s LEU 63 Cb -0.20 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 1gnn s LEU 63 CO 0.20 -0.17 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.31 1gnn s ILE 64 N 0.56 0.95 -0.21 6.68 1.01 -1.02 -4.48 121.20 124.68 1gnn s ILE 64 Ca 0.49 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1gnn s ILE 64 Cb -0.22 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1gnn s ILE 64 CO 0.29 0.23 -0.05 -1.61 0.00 0.00 0.00 174.94 173.79 1gnn s GLU 65 N -0.38 3.40 -0.27 2.79 2.02 -0.50 -2.38 118.70 123.38 1gnn s GLU 65 Ca 0.04 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.35 1gnn s GLU 65 Cb -0.05 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1gnn s GLU 65 CO -0.00 -0.12 0.05 0.42 0.02 0.00 0.00 175.26 175.62 1gnn s ILE 66 N 1.29 3.86 -1.33 -1.63 1.01 0.41 -1.35 121.20 123.45 1gnn s ILE 66 Ca 0.03 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1gnn s ILE 66 Cb -0.14 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.43 1gnn s ILE 66 CO -0.02 0.19 0.45 0.00 0.00 0.00 0.00 174.94 175.57 1gnn n GLY 68 N -2.19 -0.20 3.13 0.00 0.00 -1.26 -5.01 105.19 99.66 1gnn n GLY 68 Ca -0.20 0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 1gnn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gnn s HIS 69 N -4.16 1.25 -0.09 1.61 4.02 -0.66 -5.10 115.29 112.17 1gnn s HIS 69 Ca 0.03 -0.29 -0.03 0.00 1.02 0.00 0.00 55.06 55.78 1gnn s HIS 69 Cb -0.01 -0.77 -0.04 0.00 -1.02 0.00 0.00 32.58 30.74 1gnn s HIS 69 CO 0.95 0.01 0.06 0.15 1.02 0.00 0.00 174.74 176.93 1gnn s LYS 70 N -0.73 3.16 0.06 1.40 1.02 -1.26 -0.44 119.74 122.95 1gnn s LYS 70 Ca 0.04 -0.32 -0.05 0.00 0.02 0.00 0.00 55.97 55.66 1gnn s LYS 70 Cb -0.07 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.28 1gnn s LYS 70 CO 0.00 0.72 0.09 0.00 -0.92 0.00 0.00 175.35 175.25 1gnn s ALA 71 N -0.98 0.08 -0.04 5.17 0.00 -1.00 -4.92 121.76 120.08 1gnn s ALA 71 Ca 0.15 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1gnn s ALA 71 Cb -0.12 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.37 1gnn s ALA 71 CO 0.04 -0.42 -0.13 0.42 0.00 0.00 0.00 175.76 175.68 1gnn s ILE 72 N -3.66 1.07 0.04 0.00 1.01 -1.26 -2.43 121.20 115.97 1gnn s ILE 72 Ca 0.04 -0.51 -0.19 0.00 0.00 0.00 0.00 60.65 59.99 1gnn s ILE 72 Cb 0.05 -0.94 0.06 0.00 0.01 0.00 0.00 42.46 41.64 1gnn s ILE 72 CO -0.09 0.32 0.86 0.61 0.00 0.00 0.00 174.94 176.64 1gnn n GLY 73 N 3.29 0.50 3.77 6.18 0.00 -0.97 -4.89 105.19 113.06 1gnn n GLY 73 Ca -0.19 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1gnn n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gnn s THR 74 N -2.11 4.25 -0.08 2.61 2.01 -1.26 -1.10 115.64 119.96 1gnn s THR 74 Ca 0.20 1.85 -0.01 0.00 0.31 0.00 0.00 61.69 64.04 1gnn s THR 74 Cb -0.01 -4.20 0.03 0.00 0.01 0.00 0.00 72.50 68.33 1gnn s THR 74 CO 0.01 0.48 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.70 1gnn s VAL 75 N -1.20 0.63 -0.08 3.82 1.01 0.15 -4.57 120.40 120.17 1gnn s VAL 75 Ca 0.39 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1gnn s VAL 75 Cb -0.24 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1gnn s VAL 75 CO 0.28 0.30 0.28 -0.76 0.00 0.00 0.00 175.10 175.20 1gnn s LEU 76 N 1.75 4.40 -0.22 3.92 1.43 0.22 -1.52 118.68 128.66 1gnn s LEU 76 Ca 0.03 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1gnn s LEU 76 Cb -0.13 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.81 1gnn s LEU 76 CO -0.06 0.32 -0.09 -0.69 0.23 0.00 0.00 176.35 176.07 1gnn s VAL 77 N -0.78 1.63 0.00 -1.59 1.01 -0.94 -1.23 120.40 118.50 1gnn s VAL 77 Ca 0.19 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1gnn s VAL 77 Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1gnn s VAL 77 CO 0.08 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1gnn n GLY 78 N 4.66 1.60 1.78 4.51 0.00 -0.81 -2.56 105.19 114.38 1gnn n GLY 78 Ca -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1gnn n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gnn n PRO 79 N 0.00 0.10 -2.85 1.61 -0.04 -1.26 -3.22 135.00 129.34 1gnn n PRO 79 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1gnn n PRO 79 Cb 0.00 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 1gnn n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gnn s THR 80 N 1.64 4.29 0.21 0.52 -1.32 -1.26 -4.99 115.64 114.73 1gnn s THR 80 Ca 0.00 1.70 -0.08 0.00 -1.21 0.00 0.00 61.69 62.09 1gnn s THR 80 Cb 0.00 -3.95 0.16 0.00 -1.51 0.00 0.00 72.50 67.19 1gnn s THR 80 CO 0.00 0.13 1.78 1.55 -2.21 0.00 0.00 174.62 175.87 1gnn h PRO 81 N 3.14 1.17 -5.28 7.08 0.13 -1.98 -3.42 132.00 132.83 1gnn h PRO 81 Ca -0.47 -0.20 -0.53 0.00 -0.87 0.00 0.00 66.00 63.93 1gnn h PRO 81 Cb 1.19 -0.20 -0.14 0.00 0.13 0.00 0.00 31.00 31.99 1gnn h PRO 81 CO 0.65 0.93 -0.59 -0.80 -0.23 0.00 0.00 178.00 177.96 1gnn s ASN 82 N -6.30 2.82 -0.07 1.44 -0.87 -1.26 -5.02 114.94 105.68 1gnn s ASN 82 Ca -0.12 -1.43 -0.21 0.00 -1.57 0.00 0.00 52.86 49.53 1gnn s ASN 82 Cb 0.16 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.25 41.31 1gnn s ASN 82 CO 0.83 -0.63 0.59 0.20 -2.57 0.00 0.00 177.10 175.52 1gnn s ASN 83 N -3.57 6.88 -0.08 -1.22 0.01 -1.26 -4.43 114.94 111.27 1gnn s ASN 83 Ca 0.33 1.05 0.05 0.00 -0.71 0.00 0.00 52.86 53.58 1gnn s ASN 83 Cb 0.08 -2.35 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 1gnn s ASN 83 CO 0.15 -0.02 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.85 1gnn s ILE 84 N 0.48 2.02 -0.24 0.60 1.01 0.19 -0.73 121.20 124.52 1gnn s ILE 84 Ca 0.32 -1.02 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 1gnn s ILE 84 Cb -0.17 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1gnn s ILE 84 CO 0.15 0.56 0.17 -0.63 0.00 0.00 0.00 174.94 175.19 1gnn s ILE 85 N 0.09 5.35 0.05 2.92 -1.09 -0.68 -1.38 121.20 126.45 1gnn s ILE 85 Ca -0.11 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1gnn s ILE 85 Cb -0.16 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1gnn s ILE 85 CO 0.06 0.33 0.03 0.61 -1.23 0.00 0.00 174.94 174.74 1gnn n GLY 86 N 4.39 3.20 0.25 6.18 0.00 -1.21 -2.06 105.19 115.93 1gnn n GLY 86 Ca -0.15 -2.19 0.10 0.00 0.00 0.00 0.00 46.02 43.79 1gnn n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gnn h ARG 87 N 0.00 0.00 -0.96 1.61 3.08 -0.02 -2.34 114.38 115.75 1gnn h ARG 87 Ca -0.03 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.08 1gnn h ARG 87 Cb 0.11 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1gnn h ARG 87 CO 0.05 0.14 0.62 -2.95 -1.07 0.00 0.00 179.97 176.77 1gnn h ASN 88 N 0.00 0.98 0.21 7.04 -1.07 -1.64 -2.76 115.58 118.34 1gnn h ASN 88 Ca -0.00 0.01 -0.35 0.00 0.07 0.00 0.00 56.30 56.03 1gnn h ASN 88 Cb 0.32 -0.20 -0.04 0.00 -2.07 0.00 0.00 38.32 36.33 1gnn h ASN 88 CO 0.02 0.62 -2.03 0.18 0.07 0.00 0.00 177.43 176.29 1gnn n LEU 89 N -4.50 1.74 -0.03 6.14 7.99 -1.07 -4.05 117.00 123.23 1gnn n LEU 89 Ca 0.15 0.19 0.07 0.00 -0.01 0.00 0.00 56.01 56.41 1gnn n LEU 89 Cb 0.19 -0.43 0.46 0.00 -0.11 0.00 0.00 43.42 43.53 1gnn n LEU 89 CO 0.32 0.67 1.17 -0.07 -1.51 0.00 0.00 177.39 177.97 1gnn h LEU 90 N 0.03 0.42 -0.91 2.23 3.38 -1.45 0.44 115.31 119.45 1gnn h LEU 90 Ca -0.42 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 1gnn h LEU 90 Cb 2.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1gnn h LEU 90 CO 0.05 0.29 -0.29 0.71 0.09 0.00 0.00 178.44 179.29 1gnn h THR 91 N 0.49 0.66 -0.23 0.22 1.35 -1.67 -0.35 112.91 113.38 1gnn h THR 91 Ca 0.20 -1.34 -0.20 0.00 -0.55 0.00 0.00 66.41 64.51 1gnn h THR 91 Cb 0.18 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1gnn h THR 91 CO -0.05 0.28 -0.65 1.56 -0.25 0.00 0.00 175.52 176.41 1gnn h GLN 92 N 0.00 0.83 -0.33 4.72 4.20 -0.27 -3.10 115.11 121.17 1gnn h GLN 92 Ca -0.00 -0.59 0.00 0.00 0.06 0.00 0.00 58.65 58.11 1gnn h GLN 92 Cb 0.86 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1gnn h GLN 92 CO 0.04 1.22 0.00 0.44 -0.67 0.00 0.00 178.83 179.85 1gnn n ILE 93 N -3.97 0.42 -2.03 2.54 -5.35 -0.92 -4.93 119.36 105.11 1gnn n ILE 93 Ca -0.06 -0.37 -0.07 0.00 -0.27 0.00 0.00 62.75 61.99 1gnn n ILE 93 Cb 0.68 0.11 -0.01 0.00 -1.74 0.00 0.00 39.64 38.69 1gnn n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gnn n GLY 94 N 0.84 0.17 3.71 3.28 0.00 -1.16 -5.02 105.19 107.02 1gnn n GLY 94 Ca 0.09 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1gnn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnn s THR 96 N 0.80 1.89 -0.17 0.00 -4.23 -1.26 -4.72 115.64 107.95 1gnn s THR 96 Ca 0.49 -2.16 -0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1gnn s THR 96 Cb -0.21 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 1gnn s THR 96 CO 0.27 -0.26 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.80 1gnn s LEU 97 N -3.51 3.00 -0.12 4.79 2.96 -1.26 -5.08 118.68 119.46 1gnn s LEU 97 Ca 0.31 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1gnn s LEU 97 Cb 0.03 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1gnn s LEU 97 CO 0.14 0.11 -0.23 0.20 -1.32 0.00 0.00 176.35 175.25 1gnn s ASN 98 N 0.72 3.12 0.00 3.68 0.01 -1.26 -5.29 114.94 115.91 1gnn s ASN 98 Ca -0.03 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.54 1gnn s ASN 98 Cb -0.15 -1.43 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1gnn s ASN 98 CO 0.02 0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.95