#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fma s VAL 14 N 0.00 5.21 -0.10 2.46 1.01 -1.26 -5.06 120.40 122.66 3fma s VAL 14 Ca 0.00 0.75 -0.00 0.00 0.00 0.00 0.00 61.98 62.73 3fma s VAL 14 Cb 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3fma s VAL 14 CO 0.00 0.41 -0.09 -0.70 0.00 0.00 0.00 175.10 174.72 3fma s GLU 15 N 0.20 3.08 0.72 2.72 2.12 -1.26 -5.13 118.70 121.15 3fma s GLU 15 Ca 0.21 -0.60 -0.11 0.00 0.36 0.00 0.00 54.97 54.84 3fma s GLU 15 Cb -0.14 -2.64 0.02 0.00 0.26 0.00 0.00 34.13 31.62 3fma s GLU 15 CO 0.08 0.45 1.07 -1.12 -0.54 0.00 0.00 175.26 175.20 3fma s SER 16 N -0.25 5.23 0.11 -1.70 0.01 -1.26 -4.93 113.70 110.91 3fma s SER 16 Ca 0.03 1.48 0.10 0.00 1.31 0.00 0.00 55.95 58.87 3fma s SER 16 Cb -0.13 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 3fma s SER 16 CO 0.03 -1.52 -0.26 -0.44 0.41 0.00 0.00 173.24 171.46 3fma s SER 17 N -3.90 3.37 0.06 2.44 0.01 -1.26 -2.19 113.70 112.23 3fma s SER 17 Ca 0.58 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 57.18 3fma s SER 17 Cb -0.14 -0.28 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 3fma s SER 17 CO 0.54 0.20 -0.08 0.26 0.41 0.00 0.00 173.24 174.57 3fma s TRP 18 N -1.02 0.76 0.22 2.43 0.52 0.70 -1.99 118.94 120.57 3fma s TRP 18 Ca 0.14 -0.57 0.09 0.00 0.02 0.00 0.00 56.10 55.78 3fma s TRP 18 Cb -0.10 -0.45 -0.05 0.00 -1.15 0.00 0.00 33.47 31.72 3fma s TRP 18 CO 0.06 -0.08 -0.17 1.03 0.02 0.00 0.00 176.95 177.81 3fma s ARG 19 N -2.02 1.44 0.03 4.98 0.52 -0.33 -0.34 118.95 123.24 3fma s ARG 19 Ca -0.05 -1.63 -0.10 0.00 -0.52 0.00 0.00 55.73 53.43 3fma s ARG 19 Cb -0.07 -1.37 0.01 0.00 0.52 0.00 0.00 34.95 34.04 3fma s ARG 19 CO -0.00 0.25 0.22 1.52 0.02 0.00 0.00 175.30 177.30 3fma s TYR 20 N -2.70 0.01 -0.21 -0.53 -0.85 -0.49 -1.10 117.35 111.48 3fma s TYR 20 Ca 0.24 -0.18 -0.09 0.00 -0.52 0.00 0.00 57.07 56.52 3fma s TYR 20 Cb -0.03 0.00 -0.05 0.00 0.38 0.00 0.00 41.96 42.27 3fma s TYR 20 CO 0.10 -0.43 0.11 0.42 -1.52 0.00 0.00 175.55 174.23 3fma s ILE 21 N -2.37 5.15 0.39 -3.49 1.01 -0.66 -0.40 121.20 120.83 3fma s ILE 21 Ca -0.07 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 3fma s ILE 21 Cb -0.02 -3.36 0.08 0.00 0.01 0.00 0.00 42.46 39.18 3fma s ILE 21 CO -0.03 0.42 0.54 -0.90 0.00 0.00 0.00 174.94 174.97 3fma n ASP 22 N 3.77 0.41 0.23 3.58 5.68 -0.18 -4.40 116.55 125.64 3fma n ASP 22 Ca -0.16 -1.42 0.08 0.00 -0.50 0.00 0.00 54.79 52.80 3fma n ASP 22 Cb 0.52 -0.38 0.57 0.00 -1.14 0.00 0.00 41.12 40.69 3fma n ASP 22 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3fma h THR 23 N -0.84 0.88 -0.01 2.12 2.02 -1.99 -2.19 112.91 112.90 3fma h THR 23 Ca -0.18 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.25 3fma h THR 23 Cb 0.57 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3fma h THR 23 CO 0.16 0.20 -0.08 0.00 0.37 0.00 0.00 175.52 176.17 3fma n GLN 24 N -3.91 1.07 -0.55 6.66 1.13 -1.26 -4.92 117.38 115.60 3fma n GLN 24 Ca -0.02 -0.46 0.00 0.00 -1.94 0.00 0.00 57.00 54.58 3fma n GLN 24 Cb 0.29 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.15 3fma n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fma n GLY 25 N 1.21 0.74 3.74 1.08 0.00 -0.82 -5.06 105.19 106.07 3fma n GLY 25 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3fma n GLY 25 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fma s GLN 26 N -0.45 4.65 -0.29 1.61 0.74 -1.26 -4.76 119.66 119.90 3fma s GLN 26 Ca 0.00 1.32 -0.19 0.00 0.05 0.00 0.00 55.36 56.54 3fma s GLN 26 Cb 0.00 -3.35 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 3fma s GLN 26 CO 0.00 0.30 0.58 0.42 -0.55 0.00 0.00 175.29 176.04 3fma s ILE 27 N -0.26 4.99 -0.09 -2.34 1.01 -1.26 -1.01 121.20 122.24 3fma s ILE 27 Ca 0.43 0.85 -0.01 0.00 0.00 0.00 0.00 60.65 61.92 3fma s ILE 27 Cb -0.23 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3fma s ILE 27 CO 0.28 -0.05 -0.02 -1.00 0.00 0.00 0.00 174.94 174.14 3fma s HIS 28 N 2.48 3.09 -0.21 3.97 3.76 0.46 -4.96 115.29 123.89 3fma s HIS 28 Ca 0.23 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 3fma s HIS 28 Cb -0.15 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.75 3fma s HIS 28 CO 0.11 0.38 0.00 0.41 -0.85 0.00 0.00 174.74 174.79 3fma n GLY 29 N 2.30 0.55 3.76 -2.22 0.00 -1.26 -1.40 105.19 106.92 3fma n GLY 29 Ca -0.18 -2.26 -0.40 0.00 0.00 0.00 0.00 46.02 43.18 3fma n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fma s PRO 30 N -0.08 4.50 0.04 1.61 0.04 -1.26 -5.05 135.00 134.80 3fma s PRO 30 Ca 0.00 1.90 0.09 0.00 0.04 0.00 0.00 61.00 63.03 3fma s PRO 30 Cb 0.00 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 3fma s PRO 30 CO 0.00 0.05 -0.25 -0.06 0.04 0.00 0.00 177.00 176.78 3fma s PHE 31 N -1.20 2.23 0.79 0.56 0.08 0.54 -4.81 117.98 116.18 3fma s PHE 31 Ca 0.47 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 57.01 3fma s PHE 31 Cb -0.33 -1.34 0.07 0.00 -0.57 0.00 0.00 43.02 40.85 3fma s PHE 31 CO 0.43 0.11 1.10 0.95 -0.10 0.00 0.00 175.22 177.72 3fma s THR 32 N -0.79 3.09 0.19 0.64 -4.23 -1.26 -0.22 115.64 113.06 3fma s THR 32 Ca 0.11 0.36 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 3fma s THR 32 Cb -0.10 -2.77 0.16 0.00 1.34 0.00 0.00 72.50 71.13 3fma s THR 32 CO 0.02 -0.45 1.62 0.74 -0.54 0.00 0.00 174.62 176.01 3fma h THR 33 N -1.21 0.36 0.00 3.99 2.02 -1.80 -3.42 112.91 112.85 3fma h THR 33 Ca -0.44 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 3fma h THR 33 Cb 1.24 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3fma h THR 33 CO 0.50 0.00 0.36 1.67 0.37 0.00 0.00 175.52 178.41 3fma n GLN 34 N -5.41 0.00 0.00 6.66 -0.06 -1.26 -4.54 117.38 112.78 3fma n GLN 34 Ca 0.05 -0.16 0.00 0.00 -2.00 0.00 0.00 57.00 54.88 3fma n GLN 34 Cb 0.31 -1.31 0.00 0.00 -4.06 0.00 0.00 30.24 25.18 3fma n GLN 34 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3fma n SER 37 N 3.49 0.00 -0.09 1.69 2.88 -1.26 -4.71 113.62 115.62 3fma n SER 37 Ca 0.02 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.49 3fma n SER 37 Cb 0.04 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 3fma n SER 37 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3fma h GLN 38 N 0.00 -0.20 -0.51 -1.46 1.08 -1.96 -1.32 115.11 110.74 3fma h GLN 38 Ca 0.00 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 3fma h GLN 38 Cb 0.00 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3fma h GLN 38 CO 0.00 -0.14 0.19 -1.49 -0.95 0.00 0.00 178.83 176.45 3fma h TRP 39 N -0.21 0.73 0.35 2.96 6.55 -1.94 -0.82 115.95 123.57 3fma h TRP 39 Ca 0.17 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 59.96 3fma h TRP 39 Cb 0.48 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 3fma h TRP 39 CO -0.45 0.58 -0.17 -0.92 -1.05 0.00 0.00 178.44 176.43 3fma h TYR 40 N 0.73 -0.44 -0.94 0.49 3.20 -1.87 -2.14 116.97 115.99 3fma h TYR 40 Ca 0.17 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.15 3fma h TYR 40 Cb 0.16 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.50 3fma h TYR 40 CO 0.01 -0.21 0.60 0.82 -1.64 0.00 0.00 178.16 177.74 3fma h ILE 41 N -0.59 0.92 0.00 1.81 2.04 -1.02 0.18 117.51 120.86 3fma h ILE 41 Ca -0.05 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3fma h ILE 41 Cb 0.43 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3fma h ILE 41 CO 0.08 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.00 3fma n GLY 42 N -1.39 -0.76 2.12 5.37 0.00 -0.33 -4.89 105.19 105.31 3fma n GLY 42 Ca 0.17 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 3fma n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fma n GLY 43 N -0.19 0.35 0.13 -0.02 0.00 0.63 -4.95 105.19 101.14 3fma n GLY 43 Ca 0.05 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.47 3fma n GLY 43 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3fma h TYR 44 N 0.00 0.00 -3.72 1.61 0.05 -1.56 -3.45 116.97 109.90 3fma h TYR 44 Ca -0.13 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.02 3fma h TYR 44 Cb 0.87 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.46 3fma h TYR 44 CO 0.15 0.08 -0.24 -0.06 -1.05 0.00 0.00 178.16 177.04 3fma s PHE 45 N -3.27 3.24 0.52 4.88 0.08 -1.26 -5.05 117.98 117.12 3fma s PHE 45 Ca 0.01 0.35 -0.20 0.00 0.12 0.00 0.00 56.93 57.21 3fma s PHE 45 Cb 0.09 -2.59 -0.07 0.00 -0.57 0.00 0.00 43.02 39.88 3fma s PHE 45 CO 0.77 -0.26 1.09 0.00 -0.10 0.00 0.00 175.22 176.72 3fma s ALA 46 N 2.07 2.76 0.54 5.36 0.00 -1.26 -4.94 121.76 126.29 3fma s ALA 46 Ca 0.15 0.72 0.36 0.00 0.00 0.00 0.00 51.96 53.19 3fma s ALA 46 Cb -0.16 -3.31 1.98 0.00 0.00 0.00 0.00 23.12 21.63 3fma s ALA 46 CO 0.10 -0.60 2.25 0.66 0.00 0.00 0.00 175.76 178.17 3fma h SER 47 N 1.30 0.00 0.34 0.00 4.64 -1.97 -2.19 113.55 115.67 3fma h SER 47 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3fma h SER 47 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3fma h SER 47 CO 0.58 0.02 -0.21 0.35 -0.87 0.00 0.00 176.83 176.70 3fma n THR 48 N -3.39 0.00 -1.86 2.95 -2.24 -1.26 -0.04 114.28 108.44 3fma n THR 48 Ca -0.02 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 3fma n THR 48 Cb 0.13 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 3fma n THR 48 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3fma s LEU 49 N -2.55 4.38 -0.10 3.22 2.96 -0.82 -4.69 118.68 121.07 3fma s LEU 49 Ca 0.25 2.55 -0.30 0.00 -0.22 0.00 0.00 54.13 56.41 3fma s LEU 49 Cb 0.19 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 3fma s LEU 49 CO 0.52 -0.94 1.09 -1.10 -1.32 0.00 0.00 176.35 174.60 3fma s GLN 50 N 3.00 4.38 0.18 1.98 -0.21 -1.26 -0.62 119.66 127.10 3fma s GLN 50 Ca 0.77 1.49 0.03 0.00 0.02 0.00 0.00 55.36 57.67 3fma s GLN 50 Cb -0.41 -3.56 -0.05 0.00 1.00 0.00 0.00 33.01 29.99 3fma s GLN 50 CO 0.34 -0.40 -0.02 0.96 -2.12 0.00 0.00 175.29 174.05 3fma s ILE 51 N 2.24 0.86 -0.12 1.08 -5.25 0.28 -1.65 121.20 118.63 3fma s ILE 51 Ca 0.51 -2.01 -0.08 0.00 -0.99 0.00 0.00 60.65 58.08 3fma s ILE 51 Cb -0.20 -2.12 0.04 0.00 2.95 0.00 0.00 42.46 43.13 3fma s ILE 51 CO 0.18 -0.49 0.31 -0.55 -1.79 0.00 0.00 174.94 172.59 3fma s SER 52 N -3.20 -0.34 -0.36 4.36 0.15 -0.26 -1.41 113.70 112.64 3fma s SER 52 Ca 0.23 0.65 -0.21 0.00 0.70 0.00 0.00 55.95 57.33 3fma s SER 52 Cb 0.05 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 3fma s SER 52 CO 0.04 -0.15 0.64 -0.60 1.20 0.00 0.00 173.24 174.38 3fma s ARG 53 N 0.87 3.68 0.25 5.44 3.00 -1.26 -1.18 118.95 129.74 3fma s ARG 53 Ca -0.06 0.06 -0.31 0.00 -1.00 0.00 0.00 55.73 54.42 3fma s ARG 53 Cb -0.07 -3.81 -0.12 0.00 0.00 0.00 0.00 34.95 30.96 3fma s ARG 53 CO -0.06 -0.74 1.66 -0.51 0.00 0.00 0.00 175.30 175.64 3fma s LEU 54 N 2.73 4.36 -1.36 -0.88 1.02 -0.84 -0.10 118.68 123.61 3fma s LEU 54 Ca 0.25 2.90 -0.12 0.00 0.02 0.00 0.00 54.13 57.18 3fma s LEU 54 Cb -0.14 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.40 3fma s LEU 54 CO 0.15 -0.94 2.48 0.61 0.02 0.00 0.00 176.35 178.67 3fma n GLY 55 N 3.11 3.91 0.12 -3.19 0.00 -1.26 -4.57 105.19 103.32 3fma n GLY 55 Ca 0.12 -1.39 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 3fma n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fma h SER 56 N 5.85 0.00 -5.43 1.61 4.64 -1.94 -3.47 113.55 114.80 3fma h SER 56 Ca 0.67 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.79 3fma h SER 56 Cb 0.41 -0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.35 3fma h SER 56 CO 1.78 0.69 -0.64 0.42 -0.87 0.00 0.00 176.83 178.20 3fma s THR 57 N -3.45 0.10 0.74 2.95 -4.23 -1.26 -5.15 115.64 105.34 3fma s THR 57 Ca -0.01 -1.92 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 3fma s THR 57 Cb 0.12 -2.11 0.05 0.00 1.34 0.00 0.00 72.50 71.90 3fma s THR 57 CO 0.77 -0.40 1.18 -2.84 -0.54 0.00 0.00 174.62 172.80 3fma s PRO 58 N -4.06 2.12 0.13 3.99 0.02 -1.26 -5.03 135.00 130.91 3fma s PRO 58 Ca 0.26 1.67 -0.16 0.00 0.02 0.00 0.00 61.00 62.78 3fma s PRO 58 Cb 0.07 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.79 3fma s PRO 58 CO 0.03 -1.83 0.42 -1.83 -0.33 0.00 0.00 177.00 173.46 3fma s GLU 59 N -4.05 1.11 0.00 5.54 4.04 -1.26 -5.10 118.70 118.99 3fma s GLU 59 Ca 0.72 -0.72 0.18 0.00 0.04 0.00 0.00 54.97 55.19 3fma s GLU 59 Cb -0.27 0.48 -0.13 0.00 0.02 0.00 0.00 34.13 34.23 3fma s GLU 59 CO 0.46 -0.44 0.82 0.25 -1.84 0.00 0.00 175.26 174.52 3fma n THR 60 N -0.24 0.00 0.17 1.83 -2.24 -1.26 -4.34 114.28 108.19 3fma n THR 60 Ca -0.15 -0.15 0.06 0.00 -2.27 0.00 0.00 64.05 61.54 3fma n THR 60 Cb 0.64 1.07 0.08 0.00 -2.10 0.00 0.00 70.33 70.02 3fma n THR 60 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3fma h LEU 61 N 0.69 0.00 -2.88 3.22 5.85 -1.99 -3.48 115.31 116.71 3fma h LEU 61 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3fma h LEU 61 Cb 0.49 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.55 3fma h LEU 61 CO 0.00 0.30 -0.11 0.61 -0.34 0.00 0.00 178.44 178.91 3fma n GLY 62 N 1.18 0.09 0.00 3.75 0.00 -1.26 -5.03 105.19 103.92 3fma n GLY 62 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3fma n GLY 62 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fma n ILE 63 N -1.58 0.00 -1.62 -0.61 -5.35 -1.26 -5.07 119.36 103.87 3fma n ILE 63 Ca -0.01 -0.12 -0.51 0.00 -0.27 0.00 0.00 62.75 61.84 3fma n ILE 63 Cb 0.51 1.63 -0.06 0.00 -1.74 0.00 0.00 39.64 39.99 3fma n ILE 63 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3fma n ASN 64 N -0.04 2.06 -0.86 7.28 3.02 -1.26 -2.85 115.26 122.60 3fma n ASN 64 Ca 0.00 1.10 -0.11 0.00 -0.03 0.00 0.00 54.58 55.54 3fma n ASN 64 Cb 0.16 -1.24 -0.05 0.00 -0.61 0.00 0.00 39.78 38.04 3fma n ASN 64 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3fma n ASP 65 N 3.09 -5.52 -4.77 6.41 8.00 0.86 -4.87 116.55 119.75 3fma n ASP 65 Ca 0.19 0.28 -0.25 0.00 0.71 0.00 0.00 54.79 55.71 3fma n ASP 65 Cb 0.21 -4.01 -0.06 0.00 -0.02 0.00 0.00 41.12 37.24 3fma n ASP 65 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3fma s ILE 66 N -2.03 4.29 -0.29 0.53 -4.36 -1.13 -5.02 121.20 113.19 3fma s ILE 66 Ca 0.00 -1.24 -0.11 0.00 -0.26 0.00 0.00 60.65 59.04 3fma s ILE 66 Cb 0.00 -3.21 -0.05 0.00 1.25 0.00 0.00 42.46 40.45 3fma s ILE 66 CO 0.00 -0.16 0.20 -0.36 0.24 0.00 0.00 174.94 174.86 3fma s PHE 67 N -1.84 3.22 0.18 1.37 0.08 -1.26 -4.24 117.98 115.50 3fma s PHE 67 Ca 0.31 0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.48 3fma s PHE 67 Cb -0.09 -2.39 -0.05 0.00 -0.57 0.00 0.00 43.02 39.92 3fma s PHE 67 CO 0.23 -0.19 -0.09 0.96 -0.10 0.00 0.00 175.22 176.03 3fma s ILE 68 N 1.75 1.32 0.60 0.64 -4.36 -0.50 -4.90 121.20 115.75 3fma s ILE 68 Ca 0.07 -2.10 -0.14 0.00 -0.26 0.00 0.00 60.65 58.22 3fma s ILE 68 Cb -0.16 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 3fma s ILE 68 CO 0.11 -0.61 1.04 0.42 0.24 0.00 0.00 174.94 176.14 3fma s THR 69 N -3.23 4.15 0.25 8.37 -4.23 -1.26 -0.55 115.64 119.13 3fma s THR 69 Ca 0.21 0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 61.60 3fma s THR 69 Cb 0.02 -3.53 0.22 0.00 1.34 0.00 0.00 72.50 70.55 3fma s THR 69 CO 0.04 -0.70 1.73 0.25 -0.54 0.00 0.00 174.62 175.40 3fma h LEU 70 N 0.26 0.29 -0.21 4.79 5.85 -0.60 -0.78 115.31 124.90 3fma h LEU 70 Ca -0.46 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.42 3fma h LEU 70 Cb 1.21 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 3fma h LEU 70 CO 0.59 0.10 -0.08 1.23 -0.34 0.00 0.00 178.44 179.94 3fma h GLY 71 N 0.45 0.12 1.21 3.75 0.00 -0.76 -2.76 103.07 105.07 3fma h GLY 71 Ca 0.42 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 3fma h GLY 71 CO -0.41 -0.11 0.42 0.83 0.00 0.00 0.00 176.54 177.28 3fma h GLU 72 N -0.04 1.04 -0.01 4.80 5.08 -1.52 -0.27 114.58 123.66 3fma h GLU 72 Ca 0.11 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fma h GLU 72 Cb 0.21 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fma h GLU 72 CO -0.25 0.75 0.00 -0.11 -1.00 0.00 0.00 179.01 178.41 3fma n LEU 73 N -4.36 0.01 0.00 1.33 7.94 -0.40 -0.92 117.00 120.59 3fma n LEU 73 Ca 0.08 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 3fma n LEU 73 Cb 0.09 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 3fma n LEU 73 CO 0.38 0.00 0.00 0.41 -1.11 0.00 0.00 177.39 177.07 3fma n THR 75 N 0.35 0.00 -0.18 1.96 -1.04 -0.11 -1.41 114.28 113.84 3fma n THR 75 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 3fma n THR 75 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 3fma n THR 75 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3fma h LYS 76 N 0.00 0.53 -0.59 -2.82 1.57 -1.29 -0.29 116.57 113.68 3fma h LYS 76 Ca 0.00 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3fma h LYS 76 Cb 0.00 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 3fma h LYS 76 CO 0.00 0.35 0.35 -0.07 -0.57 0.00 0.00 179.45 179.51 3fma h LEU 77 N 0.55 0.56 0.50 2.94 3.38 -1.50 -1.83 115.31 119.92 3fma h LEU 77 Ca 0.23 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3fma h LEU 77 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3fma h LEU 77 CO -0.15 0.39 -0.24 -0.33 0.09 0.00 0.00 178.44 178.20 3fma h GLU 78 N 0.69 -0.65 -0.88 1.13 5.08 -1.72 -3.21 114.58 115.02 3fma h GLU 78 Ca 0.24 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.88 3fma h GLU 78 Cb 0.05 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3fma h GLU 78 CO -0.11 -0.35 0.61 0.87 -1.00 0.00 0.00 179.01 179.03 3fma h LYS 79 N -0.92 0.16 -0.11 2.33 1.79 -0.97 -0.75 116.57 118.10 3fma h LYS 79 Ca -0.07 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3fma h LYS 79 Cb 0.60 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.21 3fma h LYS 79 CO 0.11 0.11 0.09 -0.92 -1.08 0.00 0.00 179.45 177.76 3fma h TYR 80 N 0.17 0.00 -5.81 -1.35 5.03 -1.33 -3.47 116.97 110.21 3fma h TYR 80 Ca 0.44 0.00 -0.35 0.00 2.58 0.00 0.00 58.73 61.40 3fma h TYR 80 Cb 1.46 0.00 0.13 0.00 1.55 0.00 0.00 36.73 39.87 3fma h TYR 80 CO -0.00 0.00 -0.85 -3.47 -1.32 0.00 0.00 178.16 172.52 3fma n ASP 81 N -4.18 -4.00 -4.68 -2.11 2.03 -0.29 -4.94 116.55 98.39 3fma n ASP 81 Ca -0.00 -0.78 -0.42 0.00 0.52 0.00 0.00 54.79 54.10 3fma n ASP 81 Cb 0.21 -4.53 -0.03 0.00 -0.72 0.00 0.00 41.12 36.05 3fma n ASP 81 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3fma s THR 82 N -3.48 3.58 0.33 5.18 2.01 -1.26 -4.94 115.64 117.06 3fma s THR 82 Ca 0.25 0.91 -0.27 0.00 0.31 0.00 0.00 61.69 62.89 3fma s THR 82 Cb -0.05 -3.59 -0.13 0.00 0.01 0.00 0.00 72.50 68.74 3fma s THR 82 CO 0.78 -0.02 0.95 -0.90 -0.69 0.00 0.00 174.62 174.73 3fma n ASP 83 N 5.88 0.99 -0.17 3.53 5.68 -1.26 -4.71 116.55 126.49 3fma n ASP 83 Ca 0.15 1.12 0.15 0.00 -0.50 0.00 0.00 54.79 55.71 3fma n ASP 83 Cb 0.43 -1.27 0.49 0.00 -1.14 0.00 0.00 41.12 39.63 3fma n ASP 83 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 3fma h PRO 84 N 1.74 0.42 -0.14 0.11 0.13 -1.99 -0.36 132.00 131.92 3fma h PRO 84 Ca -0.40 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 3fma h PRO 84 Cb 1.35 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3fma h PRO 84 CO 0.59 0.28 -0.29 0.74 -0.23 0.00 0.00 178.00 179.09 3fma h PHE 85 N 0.44 0.56 -0.61 1.56 -1.00 -1.99 -0.22 116.94 115.67 3fma h PHE 85 Ca 0.37 -0.20 -0.07 0.00 2.81 0.00 0.00 57.97 60.88 3fma h PHE 85 Cb 0.83 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.27 3fma h PHE 85 CO -0.00 0.91 0.09 1.15 -1.61 0.00 0.00 178.31 178.85 3fma h THR 86 N 0.04 1.26 0.55 -1.55 2.02 -1.87 -1.51 112.91 111.85 3fma h THR 86 Ca 0.00 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 3fma h THR 86 Cb 0.88 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3fma h THR 86 CO 0.06 0.38 -0.27 0.74 0.37 0.00 0.00 175.52 176.80 3fma h THR 87 N 0.92 0.45 -0.07 3.16 2.02 -0.95 0.98 112.91 119.41 3fma h THR 87 Ca 0.18 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.35 3fma h THR 87 Cb 0.44 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 3fma h THR 87 CO 0.01 0.01 -0.51 0.15 0.37 0.00 0.00 175.52 175.55 3fma h PHE 88 N -0.77 -1.48 -0.69 3.16 3.57 -1.02 0.16 116.94 119.86 3fma h PHE 88 Ca -0.08 0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.63 3fma h PHE 88 Cb 0.58 0.66 -0.11 0.00 2.79 0.00 0.00 35.95 39.87 3fma h PHE 88 CO -0.03 -0.54 0.09 -0.44 -2.23 0.00 0.00 178.31 175.16 3fma h ASP 89 N -0.60 -0.13 1.07 0.41 5.19 -1.10 0.23 116.42 121.49 3fma h ASP 89 Ca 0.04 0.15 -0.08 0.00 -0.62 0.00 0.00 57.03 56.52 3fma h ASP 89 Cb 0.69 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 3fma h ASP 89 CO -0.39 -0.08 -0.36 0.11 -3.12 0.00 0.00 179.24 175.40 3fma h LYS 90 N 0.20 0.00 0.00 3.56 1.79 0.20 -3.30 116.57 119.01 3fma h LYS 90 Ca 0.38 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.61 3fma h LYS 90 Cb 0.64 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.24 3fma h LYS 90 CO -0.53 0.36 -1.93 1.28 -1.08 0.00 0.00 179.45 177.55 3fma n LEU 91 N -3.40 0.00 -0.00 2.94 4.77 0.45 -4.82 117.00 116.95 3fma n LEU 91 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3fma n LEU 91 Cb 0.55 0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.95 3fma n LEU 91 CO 0.37 0.33 -0.43 1.41 -1.33 0.00 0.00 177.39 177.73 3fma n HIS 92 N -2.49 0.00 -2.34 -1.77 8.25 0.75 -5.01 115.22 112.61 3fma n HIS 92 Ca -0.22 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.82 3fma n HIS 92 Cb 0.93 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.98 3fma n HIS 92 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3fma s VAL 93 N -1.96 4.09 0.33 1.59 1.01 -1.22 -5.02 120.40 119.22 3fma s VAL 93 Ca -0.00 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.36 3fma s VAL 93 Cb 0.01 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3fma s VAL 93 CO 0.07 -0.08 0.51 -1.10 0.00 0.00 0.00 175.10 174.50 3fma s GLN 94 N 3.14 3.41 0.95 2.72 -0.21 -1.26 -5.01 119.66 123.40 3fma s GLN 94 Ca 0.59 -0.50 -0.12 0.00 0.02 0.00 0.00 55.36 55.35 3fma s GLN 94 Cb -0.25 -2.72 0.16 0.00 1.00 0.00 0.00 33.01 31.20 3fma s GLN 94 CO 0.20 0.17 1.09 0.95 -2.12 0.00 0.00 175.29 175.58 3fma s THR 95 N -2.25 2.37 -2.00 -0.19 -4.23 -1.26 -5.25 115.64 102.83 3fma s THR 95 Ca 0.40 0.12 0.10 0.00 -1.18 0.00 0.00 61.69 61.13 3fma s THR 95 Cb -0.09 -2.61 0.28 0.00 1.34 0.00 0.00 72.50 71.42 3fma s THR 95 CO 0.34 -0.16 1.03 0.35 -0.54 0.00 0.00 174.62 175.65