#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1z s GLN 2 N 0.00 2.35 -0.27 0.54 0.74 -1.26 -5.10 119.66 116.66 3d1z s GLN 2 Ca 0.00 -1.30 -0.09 0.00 0.05 0.00 0.00 55.36 54.02 3d1z s GLN 2 Cb 0.00 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.05 3d1z s GLN 2 CO 0.00 -0.59 0.13 0.42 -0.55 0.00 0.00 175.29 174.71 3d1z s ILE 3 N 1.18 4.78 0.78 -2.34 1.01 -1.26 -5.09 121.20 120.26 3d1z s ILE 3 Ca -0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 3d1z s ILE 3 Cb -0.20 -3.29 0.10 0.00 0.01 0.00 0.00 42.46 39.08 3d1z s ILE 3 CO -0.03 0.26 1.12 0.42 0.00 0.00 0.00 174.94 176.70 3d1z s THR 4 N 1.68 2.13 -0.13 2.92 -4.23 -1.26 -5.03 115.64 111.73 3d1z s THR 4 Ca 0.06 -0.17 0.17 0.00 -1.18 0.00 0.00 61.69 60.57 3d1z s THR 4 Cb -0.16 -2.96 0.28 0.00 1.34 0.00 0.00 72.50 71.00 3d1z s THR 4 CO 0.07 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.48 3d1z n LEU 5 N -3.18 2.19 0.20 4.79 4.77 -1.26 -4.61 117.00 119.90 3d1z n LEU 5 Ca 0.10 -3.01 0.05 0.00 -0.03 0.00 0.00 56.01 53.12 3d1z n LEU 5 Cb 0.60 -0.40 0.43 0.00 -2.33 0.00 0.00 43.42 41.72 3d1z n LEU 5 CO 0.51 0.75 0.77 -0.50 -1.33 0.00 0.00 177.39 177.59 3d1z h TRP 6 N 0.12 0.00 -2.15 -1.77 4.06 -2.06 -3.43 115.95 110.73 3d1z h TRP 6 Ca -0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 3d1z h TRP 6 Cb 1.04 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.06 3d1z h TRP 6 CO 0.09 0.32 -0.68 -1.59 -3.56 0.00 0.00 178.44 173.02 3d1z s LYS 7 N -4.07 1.74 0.27 0.49 -2.85 -1.26 -5.11 119.74 108.95 3d1z s LYS 7 Ca -0.02 -1.89 -0.31 0.00 -1.00 0.00 0.00 55.97 52.75 3d1z s LYS 7 Cb 0.13 -1.54 -0.12 0.00 -2.06 0.00 0.00 37.83 34.24 3d1z s LYS 7 CO 0.69 0.11 1.54 0.54 0.10 0.00 0.00 175.35 178.33 3d1z n ARG 8 N -0.73 2.49 -2.19 1.78 1.74 -1.26 -4.86 116.66 113.62 3d1z n ARG 8 Ca -0.05 0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 57.49 3d1z n ARG 8 Cb 0.63 -2.64 -0.00 0.00 -1.02 0.00 0.00 32.46 29.44 3d1z n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3d1z n PRO 9 N 2.22 3.01 -3.36 5.56 -0.04 -1.26 -4.94 135.00 136.19 3d1z n PRO 9 Ca 0.10 -2.96 -0.38 0.00 -0.04 0.00 0.00 63.50 60.21 3d1z n PRO 9 Cb 0.35 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.34 3d1z n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3d1z s LEU 10 N 3.41 4.50 0.15 1.53 1.43 -1.26 -1.04 118.68 127.41 3d1z s LEU 10 Ca 0.51 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.76 3d1z s LEU 10 Cb 0.08 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 3d1z s LEU 10 CO 0.01 0.29 0.02 0.68 0.23 0.00 0.00 176.35 177.58 3d1z s VAL 11 N -1.06 0.43 -0.01 -1.59 -7.23 -0.03 -4.97 120.40 105.94 3d1z s VAL 11 Ca 0.27 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 3d1z s VAL 11 Cb -0.18 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 3d1z s VAL 11 CO 0.17 -0.48 0.67 -0.89 -0.31 0.00 0.00 175.10 174.26 3d1z s THR 12 N -3.82 4.91 0.20 5.32 2.01 -1.26 -1.03 115.64 121.97 3d1z s THR 12 Ca 0.24 1.40 0.11 0.00 0.31 0.00 0.00 61.69 63.74 3d1z s THR 12 Cb 0.07 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3d1z s THR 12 CO 0.03 0.35 -0.19 0.27 -0.69 0.00 0.00 174.62 174.39 3d1z s ILE 13 N 0.18 2.64 -0.13 1.82 -4.36 0.65 -0.81 121.20 121.19 3d1z s ILE 13 Ca 0.35 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 3d1z s ILE 13 Cb -0.19 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.25 3d1z s ILE 13 CO 0.19 -0.16 -0.11 -0.75 0.24 0.00 0.00 174.94 174.35 3d1z s LYS 14 N -2.86 1.91 -0.07 0.37 2.20 -0.09 -1.07 119.74 120.14 3d1z s LYS 14 Ca 0.23 -0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 55.39 3d1z s LYS 14 Cb -0.08 -1.82 0.03 0.00 -1.51 0.00 0.00 37.83 34.45 3d1z s LYS 14 CO 0.12 -0.23 0.18 -1.50 -0.36 0.00 0.00 175.35 173.56 3d1z s ILE 15 N 1.52 -0.02 -1.32 5.43 2.07 -0.22 -1.07 121.20 127.59 3d1z s ILE 15 Ca 0.03 0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.31 3d1z s ILE 15 Cb -0.13 -0.27 0.03 0.00 0.13 0.00 0.00 42.46 42.23 3d1z s ILE 15 CO -0.08 0.04 0.37 0.61 -1.91 0.00 0.00 174.94 173.96 3d1z n GLY 16 N 3.63 -0.50 2.79 1.50 0.00 -1.26 -1.61 105.19 109.74 3d1z n GLY 16 Ca -0.20 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3d1z n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d1z n GLY 17 N -1.16 1.21 3.57 -0.02 0.00 -1.26 -5.00 105.19 102.53 3d1z n GLY 17 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3d1z n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d1z s GLN 18 N -0.07 2.65 0.01 1.61 -0.21 -0.63 -5.10 119.66 117.92 3d1z s GLN 18 Ca 0.00 -0.63 -0.23 0.00 0.02 0.00 0.00 55.36 54.53 3d1z s GLN 18 Cb 0.00 -2.53 -0.05 0.00 1.00 0.00 0.00 33.01 31.42 3d1z s GLN 18 CO 0.00 0.64 0.69 -0.51 -2.12 0.00 0.00 175.29 173.99 3d1z s LEU 19 N -1.01 4.42 0.06 2.90 1.43 -1.26 -1.06 118.68 124.17 3d1z s LEU 19 Ca 0.14 1.30 -0.02 0.00 -1.03 0.00 0.00 54.13 54.52 3d1z s LEU 19 Cb -0.11 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 3d1z s LEU 19 CO 0.03 0.04 -0.01 -0.54 0.23 0.00 0.00 176.35 176.10 3d1z s LYS 20 N -0.02 0.65 -0.06 1.70 1.02 -0.23 -4.99 119.74 117.82 3d1z s LYS 20 Ca 0.35 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 55.01 3d1z s LYS 20 Cb -0.19 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 3d1z s LYS 20 CO 0.20 -0.13 0.28 -2.00 -0.92 0.00 0.00 175.35 172.78 3d1z s GLU 21 N -3.93 3.73 0.05 1.68 2.12 -1.26 -0.26 118.70 120.83 3d1z s GLU 21 Ca 0.08 0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 3d1z s GLU 21 Cb 0.08 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.23 3d1z s GLU 21 CO -0.09 0.70 0.10 0.00 -0.54 0.00 0.00 175.26 175.43 3d1z s ALA 22 N -0.96 -0.03 -0.20 6.30 0.00 -0.20 -4.48 121.76 122.18 3d1z s ALA 22 Ca 0.19 -0.62 -0.15 0.00 0.00 0.00 0.00 51.96 51.38 3d1z s ALA 22 Cb -0.14 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3d1z s ALA 22 CO 0.09 -0.35 0.37 -1.17 0.00 0.00 0.00 175.76 174.70 3d1z s LEU 23 N -2.30 4.16 -0.26 0.00 2.96 0.33 -0.85 118.68 122.71 3d1z s LEU 23 Ca -0.02 0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 54.07 3d1z s LEU 23 Cb 0.01 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.23 3d1z s LEU 23 CO -0.06 -0.05 1.23 -0.76 -1.32 0.00 0.00 176.35 175.39 3d1z s LEU 24 N 1.24 3.99 -0.36 -0.68 1.43 -0.20 -0.76 118.68 123.34 3d1z s LEU 24 Ca 0.18 1.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.62 3d1z s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 3d1z s LEU 24 CO 0.07 -0.92 0.13 -0.62 0.23 0.00 0.00 176.35 175.25 3d1z s ASP 25 N 2.22 4.09 0.36 2.29 -1.08 -0.27 -4.78 116.67 119.49 3d1z s ASP 25 Ca 0.53 -2.08 0.27 0.00 -0.52 0.00 0.00 52.55 50.75 3d1z s ASP 25 Cb -0.17 -1.10 1.16 0.00 -1.46 0.00 0.00 42.92 41.34 3d1z s ASP 25 CO 0.18 -0.36 1.81 0.71 0.52 0.00 0.00 175.17 178.03 3d1z h THR 26 N 6.12 0.00 -0.04 1.71 1.35 -1.94 -2.26 112.91 117.86 3d1z h THR 26 Ca -0.08 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3d1z h THR 26 Cb 0.99 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3d1z h THR 26 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 3d1z n GLY 27 N -0.13 -0.44 3.50 5.82 0.00 -1.26 -4.79 105.19 107.88 3d1z n GLY 27 Ca 0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 3d1z n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1z s ALA 28 N -1.95 3.21 0.23 4.61 0.00 -0.85 -4.98 121.76 122.02 3d1z s ALA 28 Ca 0.37 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 3d1z s ALA 28 Cb 0.19 -1.99 0.23 0.00 0.00 0.00 0.00 23.12 21.55 3d1z s ALA 28 CO 0.30 -0.25 1.69 -0.44 0.00 0.00 0.00 175.76 177.07 3d1z h ASP 29 N 7.69 0.83 -3.48 0.00 3.32 -1.86 0.96 116.42 123.88 3d1z h ASP 29 Ca -0.37 -0.24 -0.62 0.00 0.02 0.00 0.00 57.03 55.81 3d1z h ASP 29 Cb 1.18 -0.22 -0.19 0.00 0.22 0.00 0.00 39.33 40.31 3d1z h ASP 29 CO 0.61 0.94 -0.82 -1.81 -1.72 0.00 0.00 179.24 176.44 3d1z s ASP 30 N -6.67 3.18 -0.07 6.45 1.01 -1.26 -2.47 116.67 116.84 3d1z s ASP 30 Ca -0.10 -0.83 -0.25 0.00 0.71 0.00 0.00 52.55 52.09 3d1z s ASP 30 Cb 0.14 -0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.82 3d1z s ASP 30 CO 0.83 0.09 0.76 -0.89 0.21 0.00 0.00 175.17 176.17 3d1z s THR 31 N -1.60 5.00 -0.07 -1.27 2.01 -1.26 -3.52 115.64 114.93 3d1z s THR 31 Ca 0.17 1.56 -0.00 0.00 0.31 0.00 0.00 61.69 63.74 3d1z s THR 31 Cb -0.08 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.36 3d1z s THR 31 CO 0.08 0.21 -0.04 0.54 -0.69 0.00 0.00 174.62 174.72 3d1z s VAL 32 N 0.98 0.65 0.12 3.82 0.11 -0.20 -1.16 120.40 124.73 3d1z s VAL 32 Ca 0.40 -0.10 0.10 0.00 -2.93 0.00 0.00 61.98 59.44 3d1z s VAL 32 Cb -0.18 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 3d1z s VAL 32 CO 0.19 0.29 -0.24 0.27 -3.33 0.00 0.00 175.10 172.28 3d1z s ILE 33 N 1.49 2.00 0.94 7.04 -4.36 0.22 -0.44 121.20 128.09 3d1z s ILE 33 Ca -0.01 -1.68 -0.10 0.00 -0.26 0.00 0.00 60.65 58.59 3d1z s ILE 33 Cb -0.13 -1.80 0.16 0.00 1.25 0.00 0.00 42.46 41.94 3d1z s ILE 33 CO -0.04 -0.00 1.13 -1.61 0.24 0.00 0.00 174.94 174.66 3d1z s GLU 34 N -2.05 0.82 0.17 0.37 2.02 -1.25 -1.45 118.70 117.34 3d1z s GLU 34 Ca 0.11 1.44 -0.33 0.00 0.02 0.00 0.00 54.97 56.20 3d1z s GLU 34 Cb -0.10 -1.71 -0.14 0.00 0.10 0.00 0.00 34.13 32.28 3d1z s GLU 34 CO 0.05 -2.73 1.53 0.39 0.02 0.00 0.00 175.26 174.52 3d1z n GLU 35 N -4.29 2.06 -3.58 1.61 -0.58 -1.25 -4.62 120.64 109.99 3d1z n GLU 35 Ca 0.11 0.74 -0.08 0.00 -0.42 0.00 0.00 57.16 57.51 3d1z n GLU 35 Cb 0.52 -2.48 -0.02 0.00 -0.57 0.00 0.00 31.44 28.90 3d1z n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3d1z s MET 36 N 0.61 1.07 -0.03 3.49 0.23 -1.26 -5.06 119.30 118.35 3d1z s MET 36 Ca 0.77 -0.48 -0.19 0.00 -1.03 0.00 0.00 55.69 54.76 3d1z s MET 36 Cb -0.69 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.00 3d1z s MET 36 CO 0.41 -0.48 0.53 -1.12 -2.03 0.00 0.00 175.02 172.33 3d1z s SER 37 N -2.69 6.87 0.08 -1.18 0.01 -1.26 -5.06 113.70 110.47 3d1z s SER 37 Ca 0.07 1.03 0.04 0.00 1.31 0.00 0.00 55.95 58.40 3d1z s SER 37 Cb -0.01 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 3d1z s SER 37 CO -0.05 0.12 -0.11 -0.76 0.41 0.00 0.00 173.24 172.85 3d1z s LEU 38 N -0.17 2.35 0.60 2.44 1.43 -1.26 -4.94 118.68 119.12 3d1z s LEU 38 Ca 0.28 -0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 3d1z s LEU 38 Cb -0.17 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 3d1z s LEU 38 CO 0.15 -0.20 1.03 -2.16 0.23 0.00 0.00 176.35 175.40 3d1z s PRO 39 N -2.30 3.51 0.52 1.29 0.04 -1.26 -4.94 135.00 131.85 3d1z s PRO 39 Ca 0.01 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3d1z s PRO 39 Cb -0.06 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3d1z s PRO 39 CO 0.01 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.82 3d1z n GLY 40 N -1.85 -2.00 3.88 0.56 0.00 -1.26 -4.94 105.19 99.59 3d1z n GLY 40 Ca 0.07 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 3d1z n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d1z s ARG 41 N -0.07 3.75 0.30 1.61 0.52 -1.26 -5.10 118.95 118.70 3d1z s ARG 41 Ca 0.00 0.37 0.08 0.00 -0.52 0.00 0.00 55.73 55.66 3d1z s ARG 41 Cb 0.00 -2.45 -0.06 0.00 0.52 0.00 0.00 34.95 32.96 3d1z s ARG 41 CO 0.00 0.02 -0.09 1.67 0.02 0.00 0.00 175.30 176.92 3d1z s TRP 42 N -2.30 2.16 0.16 -0.53 1.48 -1.26 -4.60 118.94 114.05 3d1z s TRP 42 Ca 0.50 -0.57 0.08 0.00 -1.06 0.00 0.00 56.10 55.05 3d1z s TRP 42 Cb -0.10 -1.19 -0.04 0.00 -1.16 0.00 0.00 33.47 30.97 3d1z s TRP 42 CO 0.31 0.46 -0.18 0.15 -4.06 0.00 0.00 176.95 173.62 3d1z s LYS 43 N -3.65 1.26 0.45 3.25 1.02 -0.43 -4.91 119.74 116.73 3d1z s LYS 43 Ca 0.30 -1.40 -0.21 0.00 0.02 0.00 0.00 55.97 54.69 3d1z s LYS 43 Cb 0.02 -1.30 -0.10 0.00 -0.52 0.00 0.00 37.83 35.93 3d1z s LYS 43 CO 0.14 0.26 0.97 -1.25 -0.92 0.00 0.00 175.35 174.55 3d1z s PRO 44 N -2.81 4.12 -0.14 -1.68 0.04 -1.26 -0.69 135.00 132.57 3d1z s PRO 44 Ca 0.15 1.17 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 3d1z s PRO 44 Cb -0.06 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.38 3d1z s PRO 44 CO 0.06 -0.14 0.52 0.21 0.04 0.00 0.00 177.00 177.70 3d1z s LYS 45 N -3.23 0.71 -0.18 4.56 2.47 -1.16 -4.84 119.74 118.07 3d1z s LYS 45 Ca 0.63 0.51 -0.03 0.00 -1.56 0.00 0.00 55.97 55.52 3d1z s LYS 45 Cb -0.11 0.34 -0.02 0.00 -1.46 0.00 0.00 37.83 36.58 3d1z s LYS 45 CO 0.15 -0.14 -0.06 -1.64 0.16 0.00 0.00 175.35 173.83 3d1z s MET 46 N -0.23 3.49 0.23 4.03 -1.94 -1.26 -1.12 119.30 122.50 3d1z s MET 46 Ca -0.04 -0.60 0.11 0.00 -1.71 0.00 0.00 55.69 53.45 3d1z s MET 46 Cb -0.03 -2.91 -0.05 0.00 2.01 0.00 0.00 34.83 33.86 3d1z s MET 46 CO 0.03 0.05 -0.17 0.96 -0.01 0.00 0.00 175.02 175.88 3d1z s ILE 47 N 0.84 2.72 -0.11 2.53 -4.36 -0.16 -4.95 121.20 117.71 3d1z s ILE 47 Ca -0.01 -2.05 0.03 0.00 -0.26 0.00 0.00 60.65 58.36 3d1z s ILE 47 Cb -0.15 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.20 3d1z s ILE 47 CO 0.01 -0.23 -0.23 -0.83 0.24 0.00 0.00 174.94 173.90 3d1z s GLY 48 N -3.09 1.31 0.00 6.27 0.00 -1.26 -0.87 107.32 109.68 3d1z s GLY 48 Ca 0.26 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.99 3d1z s GLY 48 CO 0.14 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.66 3d1z n GLY 49 N 3.74 6.62 3.75 0.20 0.00 -0.67 -4.98 105.19 113.85 3d1z n GLY 49 Ca -0.19 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 3d1z n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3d1z s ILE 50 N 0.14 3.15 0.00 -0.61 1.10 -1.26 -2.25 121.20 121.47 3d1z s ILE 50 Ca 0.00 1.04 0.00 0.00 -0.51 0.00 0.00 60.65 61.18 3d1z s ILE 50 Cb 0.00 -3.67 0.00 0.00 0.15 0.00 0.00 42.46 38.94 3d1z s ILE 50 CO 0.00 0.20 0.00 0.61 -2.11 0.00 0.00 174.94 173.64 3d1z n GLY 51 N 1.65 3.18 0.00 1.50 0.00 -1.26 -4.96 105.19 105.30 3d1z n GLY 51 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3d1z n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d1z n GLY 52 N 0.00 0.42 3.84 -0.02 0.00 -0.95 -5.08 105.19 103.38 3d1z n GLY 52 Ca 0.00 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.46 3d1z n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d1z s PHE 53 N -0.38 3.40 -0.08 1.61 0.40 -1.26 -1.66 117.98 120.00 3d1z s PHE 53 Ca 0.00 1.49 -0.04 0.00 -0.60 0.00 0.00 56.93 57.79 3d1z s PHE 53 Cb 0.00 -2.79 0.04 0.00 0.51 0.00 0.00 43.02 40.78 3d1z s PHE 53 CO 0.00 -0.24 0.19 1.41 0.70 0.00 0.00 175.22 177.27 3d1z s MET 54 N -3.69 0.13 0.23 0.44 1.75 -0.05 -4.96 119.30 113.15 3d1z s MET 54 Ca 0.60 0.44 -0.27 0.00 -1.25 0.00 0.00 55.69 55.21 3d1z s MET 54 Cb -0.10 -0.16 -0.09 0.00 2.84 0.00 0.00 34.83 37.33 3d1z s MET 54 CO 0.24 -0.17 0.88 0.15 -0.65 0.00 0.00 175.02 175.46 3d1z s LYS 55 N 1.26 4.69 0.19 4.11 1.02 -1.26 -0.99 119.74 128.76 3d1z s LYS 55 Ca -0.09 1.32 0.01 0.00 0.02 0.00 0.00 55.97 57.23 3d1z s LYS 55 Cb -0.11 -3.17 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 3d1z s LYS 55 CO -0.07 0.49 0.05 0.14 -0.92 0.00 0.00 175.35 175.04 3d1z s VAL 56 N -1.26 0.48 -0.22 3.17 -7.23 -0.27 -4.73 120.40 110.33 3d1z s VAL 56 Ca 0.41 -1.97 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 3d1z s VAL 56 Cb -0.23 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 3d1z s VAL 56 CO 0.28 -0.32 0.21 -0.13 -0.31 0.00 0.00 175.10 174.83 3d1z s ARG 57 N -3.99 4.11 -0.29 4.82 0.52 -0.14 -2.99 118.95 120.99 3d1z s ARG 57 Ca 0.29 -0.16 -0.11 0.00 -0.52 0.00 0.00 55.73 55.22 3d1z s ARG 57 Cb 0.07 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 3d1z s ARG 57 CO 0.07 0.08 0.20 -1.14 0.02 0.00 0.00 175.30 174.52 3d1z s GLN 58 N 0.99 3.83 -0.18 3.54 0.74 0.13 -0.51 119.66 128.21 3d1z s GLN 58 Ca 0.10 -0.40 -0.05 0.00 0.05 0.00 0.00 55.36 55.06 3d1z s GLN 58 Cb -0.13 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 3d1z s GLN 58 CO 0.04 -0.24 0.00 0.71 -0.55 0.00 0.00 175.29 175.25 3d1z s TYR 59 N 1.75 3.10 0.19 1.67 1.51 -0.45 -1.31 117.35 123.80 3d1z s TYR 59 Ca 0.07 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3d1z s TYR 59 Cb -0.16 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 3d1z s TYR 59 CO 0.11 -0.03 0.33 -0.51 -1.11 0.00 0.00 175.55 174.34 3d1z s ASP 60 N 0.55 6.34 -1.40 2.29 1.01 -1.26 -1.00 116.67 123.20 3d1z s ASP 60 Ca -0.01 0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.38 3d1z s ASP 60 Cb -0.14 -1.93 0.04 0.00 1.01 0.00 0.00 42.92 41.90 3d1z s ASP 60 CO 0.02 -0.01 1.05 1.67 0.21 0.00 0.00 175.17 178.12 3d1z n GLN 61 N -0.80 -6.71 -3.27 8.23 7.27 -1.09 -4.89 117.38 116.12 3d1z n GLN 61 Ca -0.07 0.73 -0.38 0.00 0.07 0.00 0.00 57.00 57.35 3d1z n GLN 61 Cb 0.55 -5.68 -0.06 0.00 2.41 0.00 0.00 30.24 27.46 3d1z n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3d1z s ILE 62 N -3.35 5.10 -0.06 1.69 -1.09 -0.30 -4.67 121.20 118.52 3d1z s ILE 62 Ca 0.50 1.07 -0.30 0.00 -2.23 0.00 0.00 60.65 59.70 3d1z s ILE 62 Cb -0.23 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 3d1z s ILE 62 CO 0.77 0.35 1.18 -0.63 -1.23 0.00 0.00 174.94 175.38 3d1z s ILE 63 N 0.36 4.31 -0.06 2.92 1.01 -1.26 -1.29 121.20 127.18 3d1z s ILE 63 Ca 0.28 1.63 -0.04 0.00 0.00 0.00 0.00 60.65 62.52 3d1z s ILE 63 Cb -0.16 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.29 3d1z s ILE 63 CO 0.13 0.00 0.16 -0.51 0.00 0.00 0.00 174.94 174.72 3d1z s ILE 64 N 2.14 -0.02 -0.17 2.92 2.07 -0.22 -4.48 121.20 123.44 3d1z s ILE 64 Ca 0.55 0.09 -0.10 0.00 -1.41 0.00 0.00 60.65 59.78 3d1z s ILE 64 Cb -0.24 -0.24 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 3d1z s ILE 64 CO 0.22 0.04 0.17 -0.70 -1.91 0.00 0.00 174.94 172.76 3d1z s GLU 65 N 0.65 4.07 -0.23 3.50 2.12 -0.23 -0.55 118.70 128.02 3d1z s GLU 65 Ca -0.05 -0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.17 3d1z s GLU 65 Cb -0.06 -3.38 0.06 0.00 0.26 0.00 0.00 34.13 31.01 3d1z s GLU 65 CO -0.03 0.38 -0.06 0.42 -0.54 0.00 0.00 175.26 175.43 3d1z s ILE 66 N 0.10 1.61 -1.37 -3.70 1.01 0.84 -0.91 121.20 118.79 3d1z s ILE 66 Ca 0.11 -1.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 3d1z s ILE 66 Cb -0.12 -1.85 0.06 0.00 0.01 0.00 0.00 42.46 40.56 3d1z s ILE 66 CO 0.01 -0.07 0.56 0.00 0.00 0.00 0.00 174.94 175.44 3d1z n ALA 67 N 4.64 -1.06 -0.53 9.38 0.00 0.01 -0.53 120.51 132.41 3d1z n ALA 67 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3d1z n ALA 67 Cb 0.44 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.69 3d1z n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d1z n GLY 68 N -1.30 0.97 3.72 0.00 0.00 -1.26 -5.03 105.19 102.28 3d1z n GLY 68 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3d1z n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d1z s HIS 69 N -3.15 3.35 0.01 1.61 4.02 0.31 -5.08 115.29 116.35 3d1z s HIS 69 Ca 0.00 0.25 -0.28 0.00 1.02 0.00 0.00 55.06 56.04 3d1z s HIS 69 Cb 0.00 -2.01 -0.04 0.00 -1.02 0.00 0.00 32.58 29.51 3d1z s HIS 69 CO 0.00 0.37 0.90 0.15 1.02 0.00 0.00 174.74 177.18 3d1z s LYS 70 N -0.19 4.55 0.09 1.40 1.02 -1.26 -0.11 119.74 125.23 3d1z s LYS 70 Ca 0.08 1.27 0.03 0.00 0.02 0.00 0.00 55.97 57.38 3d1z s LYS 70 Cb -0.12 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3d1z s LYS 70 CO 0.01 0.05 -0.09 0.00 -0.92 0.00 0.00 175.35 174.40 3d1z s ALA 71 N 0.69 1.01 -0.15 5.17 0.00 0.29 -4.80 121.76 123.98 3d1z s ALA 71 Ca 0.47 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 3d1z s ALA 71 Cb -0.21 0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.02 3d1z s ALA 71 CO 0.26 -0.05 0.15 0.42 0.00 0.00 0.00 175.76 176.54 3d1z s ILE 72 N -2.36 -0.22 0.00 0.00 1.01 -1.26 -1.05 121.20 117.32 3d1z s ILE 72 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3d1z s ILE 72 Cb -0.03 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.93 3d1z s ILE 72 CO -0.00 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.44 3d1z n GLY 73 N 5.31 0.87 3.73 6.18 0.00 -0.41 -4.80 105.19 116.06 3d1z n GLY 73 Ca -0.06 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 3d1z n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d1z s THR 74 N -2.14 4.39 -0.12 2.61 2.01 -1.26 -1.15 115.64 119.98 3d1z s THR 74 Ca 0.00 2.00 0.01 0.00 0.31 0.00 0.00 61.69 64.01 3d1z s THR 74 Cb 0.00 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.25 3d1z s THR 74 CO 0.00 0.31 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.40 3d1z s VAL 75 N -0.04 1.51 -0.06 3.82 1.01 -0.17 -4.55 120.40 121.91 3d1z s VAL 75 Ca 0.47 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 3d1z s VAL 75 Cb -0.24 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3d1z s VAL 75 CO 0.31 0.45 0.43 -0.76 0.00 0.00 0.00 175.10 175.53 3d1z s LEU 76 N 1.13 4.37 -0.14 3.92 1.43 -0.31 -1.34 118.68 127.74 3d1z s LEU 76 Ca -0.03 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 3d1z s LEU 76 Cb -0.14 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.45 3d1z s LEU 76 CO -0.04 0.16 -0.20 -0.69 0.23 0.00 0.00 176.35 175.81 3d1z s VAL 77 N -0.18 2.29 -0.04 -1.59 1.01 0.33 -0.61 120.40 121.62 3d1z s VAL 77 Ca 0.24 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.02 3d1z s VAL 77 Cb -0.16 -1.93 0.10 0.00 0.00 0.00 0.00 36.38 34.40 3d1z s VAL 77 CO 0.11 0.54 1.31 -0.83 0.00 0.00 0.00 175.10 176.24 3d1z s GLY 78 N 0.73 -0.21 -1.41 4.51 0.00 -0.53 -0.97 107.32 109.45 3d1z s GLY 78 Ca -0.08 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 44.74 3d1z s GLY 78 CO 0.00 4.65 2.53 -1.55 0.00 0.00 0.00 173.10 178.73 3d1z n PRO 79 N -0.83 3.03 -2.95 2.90 -0.04 -1.26 -3.85 135.00 132.01 3d1z n PRO 79 Ca 0.01 -2.21 -0.36 0.00 -0.04 0.00 0.00 63.50 60.91 3d1z n PRO 79 Cb 0.60 -2.93 -0.06 0.00 -0.04 0.00 0.00 33.50 31.07 3d1z n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3d1z s THR 80 N 2.91 4.41 0.02 0.52 -1.32 -1.26 -4.99 115.64 115.92 3d1z s THR 80 Ca 0.57 1.52 0.32 0.00 -1.21 0.00 0.00 61.69 62.89 3d1z s THR 80 Cb 0.15 -3.90 0.38 0.00 -1.51 0.00 0.00 72.50 67.63 3d1z s THR 80 CO -0.05 0.13 1.93 1.55 -2.21 0.00 0.00 174.62 175.97 3d1z h PRO 81 N 3.17 0.00 -3.13 7.08 0.14 -1.98 -3.45 132.00 133.83 3d1z h PRO 81 Ca -0.47 0.00 -0.13 0.00 0.14 0.00 0.00 66.00 65.54 3d1z h PRO 81 Cb 1.19 0.00 -0.21 0.00 0.14 0.00 0.00 31.00 32.12 3d1z h PRO 81 CO 0.65 0.00 -0.33 0.54 0.14 0.00 0.00 178.00 179.00 3d1z s VAL 82 N -3.60 0.06 0.10 1.56 0.11 -1.26 -5.12 120.40 112.24 3d1z s VAL 82 Ca 0.02 -0.48 -0.31 0.00 -2.93 0.00 0.00 61.98 58.28 3d1z s VAL 82 Cb 0.08 -0.56 -0.08 0.00 -1.53 0.00 0.00 36.38 34.30 3d1z s VAL 82 CO 0.56 -0.26 1.39 0.20 -3.33 0.00 0.00 175.10 173.65 3d1z s ASN 83 N -1.21 6.83 -0.10 3.54 0.01 -1.26 -4.83 114.94 117.93 3d1z s ASN 83 Ca -0.13 2.29 0.04 0.00 -0.71 0.00 0.00 52.86 54.35 3d1z s ASN 83 Cb -0.05 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.03 3d1z s ASN 83 CO 0.03 -0.66 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.12 3d1z s ILE 84 N 1.26 1.93 -0.40 0.60 1.01 0.42 -0.52 121.20 125.51 3d1z s ILE 84 Ca 0.64 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3d1z s ILE 84 Cb -0.36 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.44 3d1z s ILE 84 CO 0.30 0.53 0.30 -0.63 0.00 0.00 0.00 174.94 175.44 3d1z s ILE 85 N 0.43 5.25 0.64 2.92 -1.09 0.06 -1.03 121.20 128.37 3d1z s ILE 85 Ca -0.17 -0.53 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 3d1z s ILE 85 Cb -0.17 -3.89 0.12 0.00 -1.58 0.00 0.00 42.46 36.93 3d1z s ILE 85 CO 0.07 -0.25 0.88 0.61 -1.23 0.00 0.00 174.94 175.02 3d1z n GLY 86 N 5.14 1.05 0.24 6.18 0.00 -1.23 -1.12 105.19 115.45 3d1z n GLY 86 Ca -0.11 -2.09 0.08 0.00 0.00 0.00 0.00 46.02 43.91 3d1z n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d1z h ARG 87 N 0.00 0.00 -0.90 1.61 3.08 -0.74 -0.29 114.38 117.14 3d1z h ARG 87 Ca -0.29 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.86 3d1z h ARG 87 Cb 1.15 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.14 3d1z h ARG 87 CO 0.34 0.12 0.58 -2.95 -1.07 0.00 0.00 179.97 177.00 3d1z h ASN 88 N 0.00 0.81 0.11 7.04 -0.00 -1.74 -1.14 115.58 120.65 3d1z h ASN 88 Ca -0.00 0.03 -0.19 0.00 -0.00 0.00 0.00 56.30 56.14 3d1z h ASN 88 Cb 0.24 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.39 3d1z h ASN 88 CO 0.02 0.47 -2.08 0.18 -0.00 0.00 0.00 177.43 176.02 3d1z n LEU 89 N -4.54 0.13 -0.19 6.14 4.77 -0.70 -4.11 117.00 118.50 3d1z n LEU 89 Ca 0.16 0.06 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 3d1z n LEU 89 Cb 0.32 0.23 0.26 0.00 -2.33 0.00 0.00 43.42 41.90 3d1z n LEU 89 CO 0.31 0.24 1.21 -0.07 -1.33 0.00 0.00 177.39 177.74 3d1z h LEU 90 N 0.00 0.82 -1.34 2.23 3.38 -0.81 -1.33 115.31 118.26 3d1z h LEU 90 Ca -0.27 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3d1z h LEU 90 Cb 1.63 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.16 3d1z h LEU 90 CO 0.02 0.61 -0.01 0.71 0.09 0.00 0.00 178.44 179.86 3d1z h THR 91 N 0.96 1.18 0.00 0.22 1.35 -1.39 -1.27 112.91 113.95 3d1z h THR 91 Ca 0.25 -0.70 -0.08 0.00 -0.55 0.00 0.00 66.41 65.33 3d1z h THR 91 Cb -0.07 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 67.32 3d1z h THR 91 CO -0.05 0.24 -0.38 1.56 -0.25 0.00 0.00 175.52 176.63 3d1z h GLN 92 N 0.41 0.00 -0.27 4.72 4.20 -1.41 -2.34 115.11 120.42 3d1z h GLN 92 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3d1z h GLN 92 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3d1z h GLN 92 CO 0.01 0.38 0.00 0.44 -0.67 0.00 0.00 178.83 178.99 3d1z n ILE 93 N -3.94 0.34 -1.29 2.54 -5.35 -0.99 -4.93 119.36 105.74 3d1z n ILE 93 Ca -0.02 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 3d1z n ILE 93 Cb 0.43 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 3d1z n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d1z n GLY 94 N 1.33 0.49 3.75 3.28 0.00 -0.88 -5.02 105.19 108.13 3d1z n GLY 94 Ca 0.18 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 3d1z n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1z s ALA 95 N -2.00 3.34 0.10 4.61 0.00 -0.52 -5.03 121.76 122.26 3d1z s ALA 95 Ca 0.00 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.63 3d1z s ALA 95 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3d1z s ALA 95 CO 0.00 0.18 -0.09 0.95 0.00 0.00 0.00 175.76 176.80 3d1z s THR 96 N -1.13 0.92 -0.07 0.00 -4.23 -1.26 -4.71 115.64 105.15 3d1z s THR 96 Ca 0.41 -1.72 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 3d1z s THR 96 Cb -0.26 -1.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 3d1z s THR 96 CO 0.32 -0.63 0.30 -0.76 -0.54 0.00 0.00 174.62 173.32 3d1z s LEU 97 N -2.60 4.41 -0.02 4.79 1.43 -1.26 -5.09 118.68 120.34 3d1z s LEU 97 Ca 0.07 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 3d1z s LEU 97 Cb -0.01 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.84 3d1z s LEU 97 CO -0.01 0.31 -0.02 0.20 0.23 0.00 0.00 176.35 177.07 3d1z s ASN 98 N -0.78 0.42 0.00 2.29 0.01 -1.26 -5.29 114.94 110.33 3d1z s ASN 98 Ca 0.20 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 3d1z s ASN 98 Cb -0.14 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.38 3d1z s ASN 98 CO 0.09 -0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.88