#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3d s GLN 2 N 0.00 2.26 -0.34 0.54 0.74 -1.26 -5.08 119.66 116.52 2p3d s GLN 2 Ca 0.00 -1.13 -0.13 0.00 0.05 0.00 0.00 55.36 54.15 2p3d s GLN 2 Cb 0.00 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.38 2p3d s GLN 2 CO 0.00 -0.49 0.23 0.42 -0.55 0.00 0.00 175.29 174.91 2p3d s ILE 3 N 1.22 5.20 0.79 -2.34 1.01 -1.26 -5.08 121.20 120.74 2p3d s ILE 3 Ca -0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 2p3d s ILE 3 Cb -0.18 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 38.67 2p3d s ILE 3 CO -0.07 -0.02 1.12 0.42 0.00 0.00 0.00 174.94 176.39 2p3d s THR 4 N 1.71 2.76 -0.32 2.92 -4.23 -1.26 -4.99 115.64 112.23 2p3d s THR 4 Ca 0.06 0.25 0.15 0.00 -1.18 0.00 0.00 61.69 60.97 2p3d s THR 4 Cb -0.17 -3.13 0.47 0.00 1.34 0.00 0.00 72.50 71.01 2p3d s THR 4 CO 0.10 -0.32 1.37 0.18 -0.54 0.00 0.00 174.62 175.41 2p3d n LEU 5 N -3.34 3.62 -0.12 4.79 4.77 -1.26 -4.47 117.00 121.00 2p3d n LEU 5 Ca 0.07 -2.81 0.01 0.00 -0.03 0.00 0.00 56.01 53.25 2p3d n LEU 5 Cb 0.58 -0.47 0.28 0.00 -2.33 0.00 0.00 43.42 41.48 2p3d n LEU 5 CO 0.57 0.68 1.13 -0.50 -1.33 0.00 0.00 177.39 177.94 2p3d h TRP 6 N 1.76 0.77 -1.18 -1.77 4.06 -2.05 -3.43 115.95 114.12 2p3d h TRP 6 Ca 0.00 -0.01 -0.61 0.00 2.06 0.00 0.00 58.89 60.33 2p3d h TRP 6 Cb 1.28 -0.25 -0.10 0.00 -1.00 0.00 0.00 29.16 29.09 2p3d h TRP 6 CO 0.42 0.55 -0.50 0.21 -3.56 0.00 0.00 178.44 175.56 2p3d s LYS 7 N -5.52 2.16 0.27 0.49 2.47 -1.26 -5.08 119.74 113.26 2p3d s LYS 7 Ca -0.10 -2.07 -0.30 0.00 -1.56 0.00 0.00 55.97 51.95 2p3d s LYS 7 Cb 0.17 -1.81 -0.11 0.00 -1.46 0.00 0.00 37.83 34.62 2p3d s LYS 7 CO 0.77 -0.22 1.57 1.03 0.16 0.00 0.00 175.35 178.66 2p3d s ARG 8 N -3.90 4.16 -1.23 4.03 0.52 -1.26 -4.83 118.95 116.43 2p3d s ARG 8 Ca 0.30 2.51 -0.16 0.00 -0.52 0.00 0.00 55.73 57.86 2p3d s ARG 8 Cb 0.04 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2p3d s ARG 8 CO 0.17 -0.60 2.16 -0.35 0.02 0.00 0.00 175.30 176.70 2p3d n PRO 9 N 2.43 2.44 -2.86 3.54 -0.04 -1.26 -4.95 135.00 134.30 2p3d n PRO 9 Ca 0.09 -2.30 -0.40 0.00 -0.04 0.00 0.00 63.50 60.84 2p3d n PRO 9 Cb 0.38 -3.12 -0.05 0.00 -0.04 0.00 0.00 33.50 30.67 2p3d n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2p3d s ILE 10 N 3.74 4.48 0.16 0.52 -1.09 -1.26 -1.34 121.20 126.40 2p3d s ILE 10 Ca 0.51 1.87 0.04 0.00 -2.23 0.00 0.00 60.65 60.84 2p3d s ILE 10 Cb 0.14 -4.23 -0.05 0.00 -1.58 0.00 0.00 42.46 36.75 2p3d s ILE 10 CO -0.02 0.40 -0.07 0.68 -1.23 0.00 0.00 174.94 174.70 2p3d s VAL 11 N -0.40 1.03 0.06 2.92 -7.23 0.28 -4.93 120.40 112.13 2p3d s VAL 11 Ca 0.41 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 2p3d s VAL 11 Cb -0.23 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 2p3d s VAL 11 CO 0.27 -0.67 1.04 -0.89 -0.31 0.00 0.00 175.10 174.54 2p3d s THR 12 N -3.42 4.49 0.21 5.32 2.01 -1.26 -0.27 115.64 122.72 2p3d s THR 12 Ca 0.19 1.88 0.09 0.00 0.31 0.00 0.00 61.69 64.16 2p3d s THR 12 Cb 0.04 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 2p3d s THR 12 CO 0.02 0.20 -0.16 0.27 -0.69 0.00 0.00 174.62 174.26 2p3d s ILE 13 N 0.65 1.87 -0.20 1.82 -4.36 0.44 -0.30 121.20 121.13 2p3d s ILE 13 Ca 0.52 -2.21 -0.02 0.00 -0.26 0.00 0.00 60.65 58.68 2p3d s ILE 13 Cb -0.24 -2.06 0.06 0.00 1.25 0.00 0.00 42.46 41.46 2p3d s ILE 13 CO 0.29 -0.53 0.01 -0.75 0.24 0.00 0.00 174.94 174.20 2p3d s LYS 14 N -3.51 0.95 -0.26 0.37 2.47 0.68 -0.67 119.74 119.77 2p3d s LYS 14 Ca 0.23 -0.55 0.02 0.00 -1.56 0.00 0.00 55.97 54.10 2p3d s LYS 14 Cb -0.02 -2.18 0.07 0.00 -1.46 0.00 0.00 37.83 34.23 2p3d s LYS 14 CO 0.08 -0.60 -0.05 0.08 0.16 0.00 0.00 175.35 175.02 2p3d s VAL 15 N 1.73 1.76 -0.85 4.02 1.01 0.10 -0.51 120.40 127.66 2p3d s VAL 15 Ca -0.02 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.44 2p3d s VAL 15 Cb -0.17 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2p3d s VAL 15 CO -0.07 -0.18 0.71 -0.62 0.00 0.00 0.00 175.10 174.94 2p3d n GLU 16 N 4.56 -1.43 -1.00 2.72 1.02 -1.26 -1.63 120.64 123.62 2p3d n GLU 16 Ca -0.10 1.07 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 2p3d n GLU 16 Cb 0.43 -4.53 0.00 0.00 -0.02 0.00 0.00 31.44 27.32 2p3d n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2p3d n GLY 17 N -1.68 0.06 3.17 0.62 0.00 -1.26 -4.94 105.19 101.15 2p3d n GLY 17 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2p3d n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p3d s GLN 18 N -1.77 3.03 -0.03 1.61 -0.21 -0.65 -5.09 119.66 116.56 2p3d s GLN 18 Ca 0.00 -0.83 -0.26 0.00 0.02 0.00 0.00 55.36 54.29 2p3d s GLN 18 Cb 0.00 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.47 2p3d s GLN 18 CO 0.00 -0.08 0.80 -0.51 -2.12 0.00 0.00 175.29 173.38 2p3d s LEU 19 N 0.98 4.35 0.25 2.90 1.43 -1.26 -0.72 118.68 126.60 2p3d s LEU 19 Ca -0.03 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 2p3d s LEU 19 Cb -0.15 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 42.76 2p3d s LEU 19 CO -0.05 -0.15 0.06 -0.13 0.23 0.00 0.00 176.35 176.31 2p3d s ARG 20 N 0.76 1.38 -0.22 1.70 0.52 0.16 -4.99 118.95 118.26 2p3d s ARG 20 Ca 0.42 -1.73 -0.06 0.00 -0.52 0.00 0.00 55.73 53.84 2p3d s ARG 20 Cb -0.19 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 34.85 2p3d s ARG 20 CO 0.22 -0.22 0.04 -1.21 0.02 0.00 0.00 175.30 174.15 2p3d s GLU 21 N -3.97 3.68 0.15 3.54 2.02 -1.26 -0.42 118.70 122.45 2p3d s GLU 21 Ca 0.34 -0.48 0.11 0.00 0.02 0.00 0.00 54.97 54.96 2p3d s GLU 21 Cb 0.07 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.06 2p3d s GLU 21 CO 0.11 -0.04 -0.24 0.00 0.02 0.00 0.00 175.26 175.11 2p3d s ALA 22 N 1.19 2.32 -0.18 5.21 0.00 0.62 -4.29 121.76 126.63 2p3d s ALA 22 Ca 0.04 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.37 2p3d s ALA 22 Cb -0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2p3d s ALA 22 CO 0.02 0.45 0.24 -1.17 0.00 0.00 0.00 175.76 175.30 2p3d s LEU 23 N -2.32 4.22 -0.42 0.00 2.96 0.56 0.98 118.68 124.66 2p3d s LEU 23 Ca 0.16 0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 54.17 2p3d s LEU 23 Cb -0.09 -2.28 0.02 0.00 0.50 0.00 0.00 46.19 44.35 2p3d s LEU 23 CO 0.07 0.11 1.16 -0.76 -1.32 0.00 0.00 176.35 175.62 2p3d s LEU 24 N 0.51 3.72 -0.33 -0.68 1.43 -0.45 -0.51 118.68 122.37 2p3d s LEU 24 Ca 0.13 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 2p3d s LEU 24 Cb -0.12 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.65 2p3d s LEU 24 CO 0.02 -1.17 0.05 -0.62 0.23 0.00 0.00 176.35 174.86 2p3d s ASP 25 N 2.44 4.62 0.45 2.29 -1.08 -0.38 -4.79 116.67 120.22 2p3d s ASP 25 Ca 0.49 -2.02 0.30 0.00 -0.52 0.00 0.00 52.55 50.80 2p3d s ASP 25 Cb -0.10 -1.50 1.21 0.00 -1.46 0.00 0.00 42.92 41.07 2p3d s ASP 25 CO 0.27 -0.37 1.88 0.71 0.52 0.00 0.00 175.17 178.18 2p3d h THR 26 N 6.60 0.00 -0.34 1.71 1.35 -1.94 -2.42 112.91 117.87 2p3d h THR 26 Ca -0.06 -0.43 -0.04 0.00 -0.55 0.00 0.00 66.41 65.32 2p3d h THR 26 Cb 1.02 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 68.76 2p3d h THR 26 CO 0.51 0.00 0.05 0.61 -0.25 0.00 0.00 175.52 176.44 2p3d n GLY 27 N 0.08 2.45 3.00 5.82 0.00 -1.26 -4.79 105.19 110.48 2p3d n GLY 27 Ca 0.01 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 2p3d n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3d s ALA 28 N -1.90 1.61 0.16 4.61 0.00 -0.91 -5.00 121.76 120.33 2p3d s ALA 28 Ca 0.29 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.41 2p3d s ALA 28 Cb 0.23 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.48 2p3d s ALA 28 CO 0.08 -0.26 1.69 -0.44 0.00 0.00 0.00 175.76 176.83 2p3d h ASP 29 N 7.81 0.78 -1.53 0.00 3.32 -1.87 0.11 116.42 125.04 2p3d h ASP 29 Ca -0.33 -0.20 -0.56 0.00 0.02 0.00 0.00 57.03 55.96 2p3d h ASP 29 Cb 1.15 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.42 2p3d h ASP 29 CO 0.48 0.77 -0.47 -1.81 -1.72 0.00 0.00 179.24 176.49 2p3d s ASP 30 N -6.11 4.52 -0.19 6.45 1.01 -1.26 -2.49 116.67 118.60 2p3d s ASP 30 Ca -0.13 -1.05 -0.06 0.00 0.71 0.00 0.00 52.55 52.03 2p3d s ASP 30 Cb 0.12 -0.45 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 2p3d s ASP 30 CO 0.79 -0.59 0.03 -0.89 0.21 0.00 0.00 175.17 174.72 2p3d s THR 31 N -2.59 4.34 -0.16 -1.27 2.01 -1.26 -2.50 115.64 114.21 2p3d s THR 31 Ca 0.41 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2p3d s THR 31 Cb 0.03 -2.95 0.03 0.00 0.01 0.00 0.00 72.50 69.61 2p3d s THR 31 CO 0.23 0.45 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.78 2p3d s VAL 32 N 0.64 1.58 -0.15 3.82 1.01 0.14 -0.57 120.40 126.87 2p3d s VAL 32 Ca 0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 2p3d s VAL 32 Cb -0.14 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2p3d s VAL 32 CO 0.02 0.40 0.04 -0.76 0.00 0.00 0.00 175.10 174.80 2p3d s LEU 33 N 1.47 3.75 -0.57 3.92 1.02 0.24 0.35 118.68 128.87 2p3d s LEU 33 Ca 0.04 0.12 -0.24 0.00 0.02 0.00 0.00 54.13 54.06 2p3d s LEU 33 Cb -0.13 -1.92 0.05 0.00 0.02 0.00 0.00 46.19 44.20 2p3d s LEU 33 CO -0.10 0.25 0.95 -0.70 0.02 0.00 0.00 176.35 176.77 2p3d s GLU 34 N -0.10 3.29 -1.53 1.70 2.12 -1.26 -1.75 118.70 121.17 2p3d s GLU 34 Ca 0.06 -0.36 -0.13 0.00 0.36 0.00 0.00 54.97 54.91 2p3d s GLU 34 Cb -0.12 -4.08 0.08 0.00 0.26 0.00 0.00 34.13 30.27 2p3d s GLU 34 CO 0.01 -1.54 0.93 -0.25 -0.54 0.00 0.00 175.26 173.87 2p3d n ASP 35 N 7.52 -4.24 -3.92 -1.70 10.43 -1.24 -4.95 116.55 118.45 2p3d n ASP 35 Ca 0.01 -0.81 -0.31 0.00 2.57 0.00 0.00 54.79 56.25 2p3d n ASP 35 Cb 0.47 -3.78 -0.15 0.00 1.84 0.00 0.00 41.12 39.50 2p3d n ASP 35 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 2p3d s ILE 36 N -3.35 1.72 -0.15 0.53 -5.25 -1.26 -5.10 121.20 108.34 2p3d s ILE 36 Ca 0.60 -1.88 -0.41 0.00 -0.99 0.00 0.00 60.65 57.96 2p3d s ILE 36 Cb -0.30 -2.23 -0.19 0.00 2.95 0.00 0.00 42.46 42.69 2p3d s ILE 36 CO 0.84 -0.56 1.33 0.59 -1.79 0.00 0.00 174.94 175.35 2p3d n ASN 37 N 4.50 0.85 -4.27 4.36 4.13 -1.26 -4.96 115.26 118.61 2p3d n ASN 37 Ca -0.00 1.15 -0.35 0.00 1.68 0.00 0.00 54.58 57.06 2p3d n ASN 37 Cb 0.42 -0.98 -0.14 0.00 -1.54 0.00 0.00 39.78 37.54 2p3d n ASN 37 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2p3d s LEU 38 N 1.27 2.80 0.42 3.41 1.43 -1.26 -5.09 118.68 121.65 2p3d s LEU 38 Ca 0.94 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 53.35 2p3d s LEU 38 Cb -1.26 -1.69 -0.12 0.00 0.03 0.00 0.00 46.19 43.15 2p3d s LEU 38 CO 0.63 -0.02 0.69 -1.54 0.23 0.00 0.00 176.35 176.34 2p3d n SER 39 N 4.76 -0.23 0.00 2.29 3.41 -1.26 -4.84 113.62 117.76 2p3d n SER 39 Ca -0.18 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.38 2p3d n SER 39 Cb 0.50 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2p3d n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p3d n GLY 40 N 1.61 2.22 3.91 5.00 0.00 -1.26 -5.06 105.19 111.60 2p3d n GLY 40 Ca 0.11 -2.13 -0.27 0.00 0.00 0.00 0.00 46.02 43.73 2p3d n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p3d s LYS 41 N -1.93 3.59 0.26 1.61 -2.85 -1.26 -5.12 119.74 114.04 2p3d s LYS 41 Ca 0.00 0.04 0.02 0.00 -1.00 0.00 0.00 55.97 55.03 2p3d s LYS 41 Cb 0.00 -2.54 -0.04 0.00 -2.06 0.00 0.00 37.83 33.19 2p3d s LYS 41 CO 0.00 0.05 0.15 1.67 0.10 0.00 0.00 175.35 177.32 2p3d s TRP 42 N -2.36 1.47 0.06 1.78 1.48 -1.26 -4.59 118.94 115.51 2p3d s TRP 42 Ca 0.45 -1.37 0.05 0.00 -1.06 0.00 0.00 56.10 54.17 2p3d s TRP 42 Cb -0.10 -0.76 -0.03 0.00 -1.16 0.00 0.00 33.47 31.42 2p3d s TRP 42 CO 0.36 -0.56 -0.14 0.15 -4.06 0.00 0.00 176.95 172.70 2p3d s LYS 43 N -3.93 0.86 0.41 3.25 -0.14 -0.75 -4.93 119.74 114.51 2p3d s LYS 43 Ca 0.38 -0.85 -0.24 0.00 -1.36 0.00 0.00 55.97 53.90 2p3d s LYS 43 Cb 0.06 -0.87 -0.09 0.00 -1.68 0.00 0.00 37.83 35.26 2p3d s LYS 43 CO 0.16 0.20 1.07 -2.14 -0.76 0.00 0.00 175.35 173.88 2p3d s PRO 44 N -1.44 4.09 0.11 -1.68 0.02 -1.26 -1.29 135.00 133.55 2p3d s PRO 44 Ca -0.00 1.54 -0.23 0.00 0.02 0.00 0.00 61.00 62.32 2p3d s PRO 44 Cb -0.09 -2.50 0.06 0.00 0.02 0.00 0.00 34.50 31.99 2p3d s PRO 44 CO 0.02 -0.21 0.58 0.21 -0.33 0.00 0.00 177.00 177.26 2p3d s LYS 45 N -2.56 1.19 -0.08 5.54 2.47 -0.82 -4.85 119.74 120.64 2p3d s LYS 45 Ca 0.59 -0.37 -0.02 0.00 -1.56 0.00 0.00 55.97 54.61 2p3d s LYS 45 Cb -0.23 0.55 0.04 0.00 -1.46 0.00 0.00 37.83 36.73 2p3d s LYS 45 CO 0.28 -0.49 0.05 0.42 0.16 0.00 0.00 175.35 175.77 2p3d s ILE 46 N -3.25 0.05 -0.01 5.43 1.01 -1.26 -0.17 121.20 123.00 2p3d s ILE 46 Ca -0.01 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 2p3d s ILE 46 Cb -0.00 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 2p3d s ILE 46 CO -0.08 0.11 0.22 0.27 0.00 0.00 0.00 174.94 175.46 2p3d s ILE 47 N 2.10 5.38 0.21 2.92 -4.36 -0.71 -4.94 121.20 121.80 2p3d s ILE 47 Ca 0.04 0.04 0.07 0.00 -0.26 0.00 0.00 60.65 60.54 2p3d s ILE 47 Cb -0.13 -3.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.00 2p3d s ILE 47 CO -0.05 0.38 0.11 -0.83 0.24 0.00 0.00 174.94 174.79 2p3d s GLY 48 N -1.72 1.60 0.00 6.27 0.00 -1.26 -0.85 107.32 111.35 2p3d s GLY 48 Ca 0.26 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2p3d s GLY 48 CO 0.16 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 172.45 2p3d n GLY 49 N -0.69 5.60 3.68 0.20 0.00 0.12 -4.97 105.19 109.13 2p3d n GLY 49 Ca -0.08 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2p3d n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p3d s ILE 50 N 1.83 4.86 0.00 -0.61 -1.09 -1.26 -4.47 121.20 120.46 2p3d s ILE 50 Ca 0.00 1.75 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 2p3d s ILE 50 Cb 0.00 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 2p3d s ILE 50 CO 0.00 0.04 0.00 -1.14 -1.23 0.00 0.00 174.94 172.61 2p3d n ARG 51 N 5.03 0.00 -1.22 2.79 3.00 -1.26 -4.94 116.66 120.05 2p3d n ARG 51 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2p3d n ARG 51 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 2p3d n ARG 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2p3d n GLY 52 N 0.00 4.80 2.90 5.14 0.00 -1.26 -5.16 105.19 111.61 2p3d n GLY 52 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 2p3d n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p3d s PHE 53 N -1.23 1.86 0.25 1.61 0.40 -1.26 0.11 117.98 119.71 2p3d s PHE 53 Ca 0.00 -1.23 -0.03 0.00 -0.60 0.00 0.00 56.93 55.07 2p3d s PHE 53 Cb 0.00 -1.38 -0.05 0.00 0.51 0.00 0.00 43.02 42.10 2p3d s PHE 53 CO 0.00 -0.65 0.48 0.14 0.70 0.00 0.00 175.22 175.88 2p3d s VAL 54 N 1.58 5.11 -0.08 -0.44 -7.23 -0.03 -4.90 120.40 114.41 2p3d s VAL 54 Ca -0.01 -0.14 -0.16 0.00 -1.81 0.00 0.00 61.98 59.86 2p3d s VAL 54 Cb -0.16 -3.73 -0.05 0.00 0.56 0.00 0.00 36.38 33.00 2p3d s VAL 54 CO -0.08 -0.25 0.43 -0.54 -0.31 0.00 0.00 175.10 174.35 2p3d s LYS 55 N -3.44 4.18 0.12 4.82 1.02 -1.26 -1.74 119.74 123.44 2p3d s LYS 55 Ca 0.41 0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.82 2p3d s LYS 55 Cb -0.11 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2p3d s LYS 55 CO 0.29 0.36 -0.07 0.14 -0.92 0.00 0.00 175.35 175.16 2p3d s VAL 56 N -0.02 0.81 -0.23 3.17 -7.23 0.76 -4.44 120.40 113.22 2p3d s VAL 56 Ca 0.24 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.29 2p3d s VAL 56 Cb -0.15 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2p3d s VAL 56 CO 0.11 -0.79 0.34 -0.54 -0.31 0.00 0.00 175.10 173.90 2p3d s LYS 57 N -3.82 4.10 -0.06 4.82 1.02 0.38 -1.94 119.74 124.24 2p3d s LYS 57 Ca 0.15 0.04 -0.17 0.00 0.02 0.00 0.00 55.97 56.01 2p3d s LYS 57 Cb 0.05 -3.58 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 2p3d s LYS 57 CO -0.02 -0.09 0.46 -1.14 -0.92 0.00 0.00 175.35 173.63 2p3d s GLN 58 N 1.50 4.19 -0.08 1.68 0.74 -0.41 -0.09 119.66 127.18 2p3d s GLN 58 Ca 0.15 0.46 0.05 0.00 0.05 0.00 0.00 55.36 56.07 2p3d s GLN 58 Cb -0.15 -3.35 -0.00 0.00 1.10 0.00 0.00 33.01 30.61 2p3d s GLN 58 CO 0.08 0.38 -0.24 0.71 -0.55 0.00 0.00 175.29 175.67 2p3d s TYR 59 N -0.11 2.45 0.65 1.67 1.51 0.13 -1.81 117.35 121.83 2p3d s TYR 59 Ca 0.25 -0.89 -0.03 0.00 -1.01 0.00 0.00 57.07 55.39 2p3d s TYR 59 Cb -0.16 -1.63 0.05 0.00 -0.11 0.00 0.00 41.96 40.11 2p3d s TYR 59 CO 0.12 -0.33 0.92 -1.21 -1.11 0.00 0.00 175.55 173.94 2p3d s GLU 60 N 0.15 2.31 -0.72 -0.62 0.41 -1.26 0.12 118.70 119.09 2p3d s GLU 60 Ca -0.13 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 53.95 2p3d s GLU 60 Cb -0.16 -2.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.89 2p3d s GLU 60 CO 0.07 -1.04 0.00 -0.25 -0.49 0.00 0.00 175.26 173.54 2p3d n ASP 61 N -2.70 -2.00 -4.73 -0.19 10.43 -1.10 -4.81 116.55 111.46 2p3d n ASP 61 Ca 0.08 0.17 -0.42 0.00 2.57 0.00 0.00 54.79 57.19 2p3d n ASP 61 Cb 0.60 -2.02 -0.03 0.00 1.84 0.00 0.00 41.12 41.51 2p3d n ASP 61 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2p3d s ILE 62 N -1.51 2.90 -0.27 0.53 -1.09 -0.37 -4.62 121.20 116.78 2p3d s ILE 62 Ca 0.00 0.68 -0.20 0.00 -2.23 0.00 0.00 60.65 58.89 2p3d s ILE 62 Cb 0.00 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2p3d s ILE 62 CO 0.00 0.07 0.64 -0.22 -1.23 0.00 0.00 174.94 174.20 2p3d s LEU 63 N 0.64 4.08 -0.16 2.97 0.20 -1.26 -0.36 118.68 124.79 2p3d s LEU 63 Ca 0.64 0.64 -0.00 0.00 0.69 0.00 0.00 54.13 56.11 2p3d s LEU 63 Cb -0.40 -2.86 -0.01 0.00 -0.43 0.00 0.00 46.19 42.49 2p3d s LEU 63 CO 0.34 -0.41 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.23 2p3d s ILE 64 N 2.55 2.83 -0.50 6.68 1.01 0.12 -4.39 121.20 129.50 2p3d s ILE 64 Ca 0.26 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 2p3d s ILE 64 Cb -0.15 -2.20 0.06 0.00 0.01 0.00 0.00 42.46 40.18 2p3d s ILE 64 CO 0.09 0.51 0.56 -0.70 0.00 0.00 0.00 174.94 175.40 2p3d s GLU 65 N 0.78 3.08 -0.34 2.79 2.12 0.34 -1.34 118.70 126.12 2p3d s GLU 65 Ca -0.05 -1.04 -0.10 0.00 0.36 0.00 0.00 54.97 54.13 2p3d s GLU 65 Cb -0.15 -4.11 0.01 0.00 0.26 0.00 0.00 34.13 30.14 2p3d s GLU 65 CO 0.01 -1.17 0.18 0.42 -0.54 0.00 0.00 175.26 174.16 2p3d s ILE 66 N 2.32 4.59 -1.26 -3.70 1.01 0.18 -0.23 121.20 124.11 2p3d s ILE 66 Ca 0.12 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.84 2p3d s ILE 66 Cb -0.21 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 38.84 2p3d s ILE 66 CO 0.10 -0.10 0.51 0.00 0.00 0.00 0.00 174.94 175.46 2p3d n GLY 68 N -2.19 3.09 3.50 0.00 0.00 -1.26 -4.99 105.19 103.33 2p3d n GLY 68 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2p3d n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p3d s HIS 69 N -1.50 3.10 0.86 1.61 3.76 0.23 -5.11 115.29 118.23 2p3d s HIS 69 Ca 0.00 -0.30 -0.12 0.00 -0.15 0.00 0.00 55.06 54.49 2p3d s HIS 69 Cb 0.00 -2.12 0.11 0.00 1.11 0.00 0.00 32.58 31.68 2p3d s HIS 69 CO 0.00 -0.16 1.12 -0.98 -0.85 0.00 0.00 174.74 173.87 2p3d s ARG 70 N 0.98 1.58 -0.29 1.40 1.70 -1.26 0.49 118.95 123.54 2p3d s ARG 70 Ca 0.03 0.41 -0.16 0.00 -0.47 0.00 0.00 55.73 55.53 2p3d s ARG 70 Cb -0.14 -1.88 0.17 0.00 -0.57 0.00 0.00 34.95 32.52 2p3d s ARG 70 CO 0.02 -1.92 1.06 0.00 -1.08 0.00 0.00 175.30 173.38 2p3d s ALA 71 N -3.26 -2.43 -0.11 7.88 0.00 -0.45 -4.63 121.76 118.76 2p3d s ALA 71 Ca 0.62 2.13 -0.08 0.00 0.00 0.00 0.00 51.96 54.63 2p3d s ALA 71 Cb -0.14 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 2p3d s ALA 71 CO 0.53 -0.39 0.17 0.08 0.00 0.00 0.00 175.76 176.14 2p3d s VAL 72 N 1.35 5.46 0.14 0.00 1.01 -1.26 0.16 120.40 127.27 2p3d s VAL 72 Ca -0.08 0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 2p3d s VAL 72 Cb -0.03 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 32.99 2p3d s VAL 72 CO -0.14 0.61 1.06 -0.83 0.00 0.00 0.00 175.10 175.81 2p3d s GLY 73 N -1.00 -0.04 0.11 4.51 0.00 0.51 -4.92 107.32 106.50 2p3d s GLY 73 Ca 0.16 -0.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.47 2p3d s GLY 73 CO 0.05 1.84 1.36 0.00 0.00 0.00 0.00 173.10 176.34 2p3d s ALA 74 N -2.46 3.56 -0.10 3.20 0.00 -1.26 -1.23 121.76 123.48 2p3d s ALA 74 Ca 0.19 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.26 2p3d s ALA 74 Cb -0.01 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2p3d s ALA 74 CO 0.03 -0.58 -0.17 0.08 0.00 0.00 0.00 175.76 175.12 2p3d s VAL 75 N 1.02 1.58 0.03 0.00 1.01 0.32 -4.59 120.40 119.77 2p3d s VAL 75 Ca 0.63 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.71 2p3d s VAL 75 Cb -0.36 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 2p3d s VAL 75 CO 0.31 0.46 0.54 -0.76 0.00 0.00 0.00 175.10 175.65 2p3d s LEU 76 N 0.73 4.48 -0.11 3.92 1.43 0.26 0.18 118.68 129.57 2p3d s LEU 76 Ca -0.12 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 2p3d s LEU 76 Cb -0.16 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.24 2p3d s LEU 76 CO 0.02 0.22 -0.13 -0.69 0.23 0.00 0.00 176.35 176.00 2p3d s VAL 77 N -0.77 1.38 -0.05 -1.59 1.01 0.87 0.82 120.40 122.08 2p3d s VAL 77 Ca 0.28 -0.56 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 2p3d s VAL 77 Cb -0.18 -1.29 0.12 0.00 0.00 0.00 0.00 36.38 35.03 2p3d s VAL 77 CO 0.17 0.42 1.34 -0.83 0.00 0.00 0.00 175.10 176.20 2p3d s GLY 78 N 1.13 -0.35 -1.11 4.51 0.00 -0.72 -0.47 107.32 110.31 2p3d s GLY 78 Ca -0.04 0.55 -0.20 0.00 0.00 0.00 0.00 44.72 45.03 2p3d s GLY 78 CO -0.03 2.29 1.97 -1.55 0.00 0.00 0.00 173.10 175.78 2p3d n PRO 79 N -0.65 2.12 -4.04 2.90 -0.04 -1.26 -3.64 135.00 130.38 2p3d n PRO 79 Ca -0.04 -2.40 -0.29 0.00 -0.04 0.00 0.00 63.50 60.72 2p3d n PRO 79 Cb 0.62 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.73 2p3d n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2p3d s THR 80 N 5.81 4.63 0.35 0.52 -1.32 -1.26 -5.03 115.64 119.34 2p3d s THR 80 Ca 0.57 -0.79 0.25 0.00 -1.21 0.00 0.00 61.69 60.51 2p3d s THR 80 Cb 0.09 -3.27 0.26 0.00 -1.51 0.00 0.00 72.50 68.07 2p3d s THR 80 CO 0.07 0.07 1.99 -0.65 -2.21 0.00 0.00 174.62 173.89 2p3d h PRO 81 N 3.06 0.00 -4.36 7.08 0.11 -1.98 -3.44 132.00 132.47 2p3d h PRO 81 Ca -0.47 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 2p3d h PRO 81 Cb 1.17 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 2p3d h PRO 81 CO 0.66 0.17 -0.68 0.00 -0.21 0.00 0.00 178.00 177.95 2p3d s ALA 82 N -4.07 0.68 0.02 -0.75 0.00 -1.26 -5.05 121.76 111.33 2p3d s ALA 82 Ca -0.02 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.34 2p3d s ALA 82 Cb 0.13 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 2p3d s ALA 82 CO 0.61 -0.37 1.28 -0.80 0.00 0.00 0.00 175.76 176.48 2p3d s ASN 83 N -2.97 6.98 -0.21 0.00 0.01 -1.26 -4.31 114.94 113.18 2p3d s ASN 83 Ca 0.12 2.03 -0.00 0.00 -0.71 0.00 0.00 52.86 54.30 2p3d s ASN 83 Cb 0.07 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.18 2p3d s ASN 83 CO -0.06 -0.59 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.17 2p3d s ILE 84 N 1.73 2.49 -0.54 0.60 1.01 0.16 -0.32 121.20 126.32 2p3d s ILE 84 Ca 0.60 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 60.11 2p3d s ILE 84 Cb -0.30 -2.15 0.06 0.00 0.01 0.00 0.00 42.46 40.08 2p3d s ILE 84 CO 0.27 0.39 0.73 -0.63 0.00 0.00 0.00 174.94 175.70 2p3d s ILE 85 N 1.32 4.72 0.80 2.92 -1.09 0.33 0.23 121.20 130.43 2p3d s ILE 85 Ca 0.03 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 57.97 2p3d s ILE 85 Cb -0.15 -4.40 0.10 0.00 -1.58 0.00 0.00 42.46 36.43 2p3d s ILE 85 CO -0.09 -0.96 1.15 -0.83 -1.23 0.00 0.00 174.94 172.98 2p3d s GLY 86 N 2.91 1.66 0.38 6.18 0.00 -1.04 -1.24 107.32 116.17 2p3d s GLY 86 Ca 0.18 -0.88 0.17 0.00 0.00 0.00 0.00 44.72 44.19 2p3d s GLY 86 CO 0.13 -0.37 1.74 3.21 0.00 0.00 0.00 173.10 177.81 2p3d h ARG 87 N -1.00 0.39 -1.01 2.90 3.08 -0.82 0.11 114.38 118.04 2p3d h ARG 87 Ca -0.45 -0.02 0.22 0.00 0.07 0.00 0.00 59.98 59.80 2p3d h ARG 87 Cb 1.31 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 31.16 2p3d h ARG 87 CO 0.58 0.26 0.62 -2.95 -1.07 0.00 0.00 179.97 177.41 2p3d h ASN 88 N 0.40 0.66 0.40 7.04 -1.07 -1.73 0.55 115.58 121.83 2p3d h ASN 88 Ca 0.64 0.10 -0.31 0.00 0.07 0.00 0.00 56.30 56.80 2p3d h ASN 88 Cb 1.56 -0.01 -0.04 0.00 -2.07 0.00 0.00 38.32 37.76 2p3d h ASN 88 CO -0.37 0.17 -1.77 0.24 0.07 0.00 0.00 177.43 175.78 2p3d h MET 89 N 0.60 0.09 -0.02 4.14 2.86 -1.36 -3.39 114.93 117.85 2p3d h MET 89 Ca 0.60 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.99 2p3d h MET 89 Cb 1.15 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 2p3d h MET 89 CO -0.38 0.73 -0.45 -0.07 1.06 0.00 0.00 176.91 177.80 2p3d h LEU 90 N 0.02 0.06 -1.03 1.22 3.38 0.26 -2.77 115.31 116.46 2p3d h LEU 90 Ca -0.32 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 2p3d h LEU 90 Cb 2.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 2p3d h LEU 90 CO 0.09 0.51 -0.42 0.71 0.09 0.00 0.00 178.44 179.41 2p3d h THR 91 N 0.05 1.31 -0.04 0.22 1.35 -1.15 -0.54 112.91 114.11 2p3d h THR 91 Ca 0.00 -1.51 -0.24 0.00 -0.55 0.00 0.00 66.41 64.12 2p3d h THR 91 Cb 0.82 1.74 0.01 0.00 -1.73 0.00 0.00 68.15 68.99 2p3d h THR 91 CO 0.06 0.44 -0.92 1.56 -0.25 0.00 0.00 175.52 176.41 2p3d h GLN 92 N 0.11 0.60 -0.01 4.72 4.20 -1.70 -2.28 115.11 120.74 2p3d h GLN 92 Ca 0.01 -0.59 0.00 0.00 0.06 0.00 0.00 58.65 58.13 2p3d h GLN 92 Cb 0.79 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2p3d h GLN 92 CO 0.06 1.20 0.00 0.44 -0.67 0.00 0.00 178.83 179.86 2p3d n ILE 93 N -3.84 0.00 -3.57 2.54 -5.35 -1.16 -4.86 119.36 103.11 2p3d n ILE 93 Ca -0.08 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.18 2p3d n ILE 93 Cb 0.82 -0.10 0.07 0.00 -1.74 0.00 0.00 39.64 38.69 2p3d n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p3d n GLY 94 N 0.31 -0.44 3.73 3.28 0.00 -0.86 -4.99 105.19 106.22 2p3d n GLY 94 Ca 0.00 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2p3d n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3d s THR 96 N 0.49 1.38 0.21 0.00 -4.23 -1.26 -4.66 115.64 107.57 2p3d s THR 96 Ca 0.22 -1.54 -0.22 0.00 -1.18 0.00 0.00 61.69 58.97 2p3d s THR 96 Cb -0.14 -1.39 -0.08 0.00 1.34 0.00 0.00 72.50 72.22 2p3d s THR 96 CO 0.08 -0.25 0.76 -0.76 -0.54 0.00 0.00 174.62 173.91 2p3d s LEU 97 N -2.07 4.44 -0.17 4.79 1.43 -1.26 -5.06 118.68 120.78 2p3d s LEU 97 Ca 0.05 1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 54.64 2p3d s LEU 97 Cb -0.08 -3.50 0.07 0.00 0.03 0.00 0.00 46.19 42.71 2p3d s LEU 97 CO 0.03 0.09 0.16 0.20 0.23 0.00 0.00 176.35 177.07 2p3d s ASN 98 N -1.45 1.60 0.00 2.29 0.02 -1.26 -5.28 114.94 110.87 2p3d s ASN 98 Ca 0.41 -0.26 0.00 0.00 -1.02 0.00 0.00 52.86 51.98 2p3d s ASN 98 Cb -0.19 0.14 0.00 0.00 0.02 0.00 0.00 41.25 41.22 2p3d s ASN 98 CO 0.23 -0.32 0.00 2.22 0.02 0.00 0.00 177.10 179.25