#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fma s SER 13 N 0.00 7.20 -0.20 6.55 0.15 -1.26 -5.02 113.70 121.13 3fma s SER 13 Ca 0.00 1.82 -0.08 0.00 0.70 0.00 0.00 55.95 58.39 3fma s SER 13 Cb 0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 3fma s SER 13 CO 0.00 -0.40 0.09 -0.69 1.20 0.00 0.00 173.24 173.44 3fma s VAL 14 N 1.26 5.00 -0.10 4.45 1.01 -1.26 -5.09 120.40 125.67 3fma s VAL 14 Ca 0.55 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.59 3fma s VAL 14 Cb -0.25 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 3fma s VAL 14 CO 0.27 0.44 -0.13 -0.70 0.00 0.00 0.00 175.10 174.98 3fma s GLU 15 N 0.48 3.08 0.64 2.72 2.12 -1.26 -5.14 118.70 121.34 3fma s GLU 15 Ca 0.05 -0.68 -0.12 0.00 0.36 0.00 0.00 54.97 54.58 3fma s GLU 15 Cb -0.12 -2.56 -0.02 0.00 0.26 0.00 0.00 34.13 31.69 3fma s GLU 15 CO 0.00 0.37 1.04 -1.12 -0.54 0.00 0.00 175.26 175.01 3fma s SER 16 N -0.05 5.88 0.04 -1.70 0.01 -1.26 -4.92 113.70 111.70 3fma s SER 16 Ca -0.03 1.56 0.06 0.00 1.31 0.00 0.00 55.95 58.86 3fma s SER 16 Cb -0.14 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 3fma s SER 16 CO 0.04 -1.11 -0.14 -0.44 0.41 0.00 0.00 173.24 172.00 3fma s SER 17 N -3.73 4.11 0.07 2.44 0.01 -1.26 -1.63 113.70 113.70 3fma s SER 17 Ca 0.58 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.52 3fma s SER 17 Cb -0.13 -0.77 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 3fma s SER 17 CO 0.50 0.25 -0.08 0.26 0.41 0.00 0.00 173.24 174.58 3fma s TRP 18 N -0.98 0.84 0.16 2.43 0.52 0.97 -1.57 118.94 121.30 3fma s TRP 18 Ca 0.16 -0.63 0.07 0.00 0.02 0.00 0.00 56.10 55.72 3fma s TRP 18 Cb -0.11 -0.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.69 3fma s TRP 18 CO 0.07 -0.08 -0.15 1.03 0.02 0.00 0.00 176.95 177.84 3fma s ARG 19 N -2.40 1.19 0.10 4.98 0.52 -0.18 0.13 118.95 123.29 3fma s ARG 19 Ca -0.01 -1.40 -0.01 0.00 -0.52 0.00 0.00 55.73 53.79 3fma s ARG 19 Cb -0.05 -1.08 -0.04 0.00 0.52 0.00 0.00 34.95 34.30 3fma s ARG 19 CO -0.01 0.20 0.02 1.52 0.02 0.00 0.00 175.30 177.06 3fma s TYR 20 N -2.41 0.74 -0.18 -0.53 -0.85 -0.78 -0.39 117.35 112.96 3fma s TYR 20 Ca 0.15 -1.17 -0.01 0.00 -0.52 0.00 0.00 57.07 55.52 3fma s TYR 20 Cb -0.04 -0.45 -0.00 0.00 0.38 0.00 0.00 41.96 41.85 3fma s TYR 20 CO 0.05 -0.46 -0.13 0.42 -1.52 0.00 0.00 175.55 173.91 3fma s ILE 21 N -4.00 2.81 0.95 -3.49 1.01 -0.75 -0.65 121.20 117.08 3fma s ILE 21 Ca 0.18 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 3fma s ILE 21 Cb 0.08 -2.21 0.19 0.00 0.01 0.00 0.00 42.46 40.52 3fma s ILE 21 CO -0.03 0.49 1.30 1.51 0.00 0.00 0.00 174.94 178.22 3fma s ASP 22 N 1.03 3.26 0.35 3.58 1.47 -0.07 -4.33 116.67 121.97 3fma s ASP 22 Ca -0.01 0.34 0.26 0.00 1.18 0.00 0.00 52.55 54.32 3fma s ASP 22 Cb -0.15 -0.43 1.23 0.00 -0.34 0.00 0.00 42.92 43.23 3fma s ASP 22 CO -0.03 -2.65 1.79 0.71 0.68 0.00 0.00 175.17 175.67 3fma h THR 23 N -1.58 0.00 -0.04 2.11 1.35 -2.00 -1.93 112.91 110.81 3fma h THR 23 Ca -0.45 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3fma h THR 23 Cb 1.25 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3fma h THR 23 CO 0.41 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.68 3fma n GLN 24 N -2.43 1.88 -0.45 4.72 1.13 -1.26 -4.94 117.38 116.03 3fma n GLN 24 Ca 0.00 -1.28 0.00 0.00 -1.94 0.00 0.00 57.00 53.78 3fma n GLN 24 Cb 0.16 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.04 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 1.23 0.88 3.74 1.08 0.00 -0.73 -5.05 105.19 106.35 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 -0.48 4.75 -0.28 1.61 0.74 -1.26 -4.78 119.66 119.96 3fma s GLN 26 Ca 0.00 1.57 -0.13 0.00 0.05 0.00 0.00 55.36 56.85 3fma s GLN 26 Cb 0.00 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 3fma s GLN 26 CO 0.00 0.33 0.30 0.42 -0.55 0.00 0.00 175.29 175.80 3fma s ILE 27 N -0.77 5.22 0.04 -2.34 1.01 -1.26 -0.89 121.20 122.22 3fma s ILE 27 Ca 0.44 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.48 3fma s ILE 27 Cb -0.27 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3fma s ILE 27 CO 0.33 0.16 -0.03 -1.00 0.00 0.00 0.00 174.94 174.40 3fma s HIS 28 N 1.95 2.96 0.00 3.97 3.76 0.18 -4.96 115.29 123.14 3fma s HIS 28 Ca 0.12 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 3fma s HIS 28 Cb -0.16 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 31.94 3fma s HIS 28 CO 0.11 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 174.84 3fma n GLY 29 N 1.10 0.46 3.75 -2.22 0.00 -1.26 -1.86 105.19 105.16 3fma n GLY 29 Ca -0.13 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.19 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 0.00 4.45 0.08 1.61 0.04 -1.26 -5.04 135.00 134.88 3fma s PRO 30 Ca 0.00 2.00 0.05 0.00 0.04 0.00 0.00 61.00 63.10 3fma s PRO 30 Cb 0.00 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 3fma s PRO 30 CO 0.00 -0.11 -0.05 -0.06 0.04 0.00 0.00 177.00 176.82 3fma s PHE 31 N -0.44 2.88 0.63 0.56 0.08 0.12 -4.78 117.98 117.01 3fma s PHE 31 Ca 0.52 -0.08 -0.15 0.00 0.12 0.00 0.00 56.93 57.34 3fma s PHE 31 Cb -0.35 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.57 3fma s PHE 31 CO 0.42 0.44 1.08 0.95 -0.10 0.00 0.00 175.22 178.01 3fma s THR 32 N -1.23 3.55 0.25 0.64 -4.23 -1.26 -0.02 115.64 113.34 3fma s THR 32 Ca 0.23 0.72 -0.10 0.00 -1.18 0.00 0.00 61.69 61.36 3fma s THR 32 Cb -0.11 -3.25 0.36 0.00 1.34 0.00 0.00 72.50 70.83 3fma s THR 32 CO 0.15 -0.45 1.59 0.74 -0.54 0.00 0.00 174.62 176.11 3fma h THR 33 N 0.23 0.17 0.00 3.99 2.02 -1.66 -3.42 112.91 114.23 3fma h THR 33 Ca -0.47 -0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.53 3fma h THR 33 Cb 1.23 0.16 0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3fma h THR 33 CO 0.56 0.00 0.81 1.67 0.37 0.00 0.00 175.52 178.93 3fma n GLN 34 N -5.54 0.00 0.00 6.66 -0.06 -1.26 -4.57 117.38 112.62 3fma n GLN 34 Ca 0.12 -0.45 0.00 0.00 -2.00 0.00 0.00 57.00 54.67 3fma n GLN 34 Cb 0.43 -1.75 0.00 0.00 -4.06 0.00 0.00 30.24 24.86 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 5.41 0.00 -0.25 1.69 2.88 -1.26 -4.70 113.62 117.40 3fma n SER 37 Ca 0.14 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.67 3fma n SER 37 Cb 0.18 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.69 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 -0.06 -0.38 -1.46 1.08 -1.96 0.28 115.11 112.61 3fma h GLN 38 Ca 0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3fma h GLN 38 Cb 0.00 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 3fma h GLN 38 CO 0.00 -0.04 0.08 -1.49 -0.95 0.00 0.00 178.83 176.43 3fma h TRP 39 N -0.06 0.57 0.40 2.96 6.55 -1.95 -0.51 115.95 123.91 3fma h TRP 39 Ca 0.32 -0.04 -0.02 0.00 0.95 0.00 0.00 58.89 60.10 3fma h TRP 39 Cb 0.56 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.69 3fma h TRP 39 CO -0.64 0.50 -0.19 -0.92 -1.05 0.00 0.00 178.44 176.14 3fma h TYR 40 N 0.55 -0.49 -1.07 0.49 3.20 -1.46 -1.83 116.97 116.36 3fma h TYR 40 Ca 0.13 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.27 3fma h TYR 40 Cb 0.23 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.56 3fma h TYR 40 CO 0.01 -0.16 0.68 0.82 -1.64 0.00 0.00 178.16 177.86 3fma h ILE 41 N -0.91 0.47 0.00 1.81 2.04 -0.36 0.22 117.51 120.78 3fma h ILE 41 Ca -0.05 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3fma h ILE 41 Cb 0.55 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3fma h ILE 41 CO 0.09 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.92 3fma n GLY 42 N -1.46 -0.97 2.94 5.37 0.00 -0.22 -4.93 105.19 105.93 3fma n GLY 42 Ca 0.27 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 0.79 -0.21 0.12 -0.02 0.00 0.77 -4.95 105.19 101.69 3fma n GLY 43 Ca 0.16 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3fma n GLY 43 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fma n TYR 44 N -4.34 0.00 -3.89 1.61 4.01 -0.70 -4.88 117.16 108.97 3fma n TYR 44 Ca -0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.35 3fma n TYR 44 Cb 0.57 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.46 3fma n TYR 44 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3fma s PHE 45 N -2.87 3.04 0.58 -0.72 0.08 -1.26 -5.04 117.98 111.78 3fma s PHE 45 Ca 0.11 -0.56 -0.17 0.00 0.12 0.00 0.00 56.93 56.43 3fma s PHE 45 Cb 0.17 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 3fma s PHE 45 CO 0.79 -0.37 1.07 0.00 -0.10 0.00 0.00 175.22 176.61 3fma s ALA 46 N 1.39 2.71 -0.03 5.36 0.00 -1.26 -4.95 121.76 124.99 3fma s ALA 46 Ca 0.05 0.51 0.31 0.00 0.00 0.00 0.00 51.96 52.82 3fma s ALA 46 Cb -0.15 -3.26 1.41 0.00 0.00 0.00 0.00 23.12 21.12 3fma s ALA 46 CO 0.01 -0.79 1.92 0.66 0.00 0.00 0.00 175.76 177.56 3fma h SER 47 N 0.67 0.00 0.53 0.00 4.64 -1.99 -2.57 113.55 114.83 3fma h SER 47 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3fma h SER 47 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3fma h SER 47 CO 0.57 0.00 -0.29 0.35 -0.87 0.00 0.00 176.83 176.59 3fma n THR 48 N -2.69 0.00 -1.92 2.95 -2.24 -1.26 0.45 114.28 109.57 3fma n THR 48 Ca 0.00 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 3fma n THR 48 Cb 0.20 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.82 4.37 -0.03 3.22 2.96 -0.97 -4.66 118.68 120.74 3fma s LEU 49 Ca 0.17 2.52 -0.30 0.00 -0.22 0.00 0.00 54.13 56.30 3fma s LEU 49 Cb 0.19 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 3fma s LEU 49 CO 0.60 -0.88 1.06 -1.10 -1.32 0.00 0.00 176.35 174.70 3fma s GLN 50 N 2.37 4.47 0.14 1.98 -0.21 -1.26 -0.35 119.66 126.79 3fma s GLN 50 Ca 0.73 1.51 0.04 0.00 0.02 0.00 0.00 55.36 57.66 3fma s GLN 50 Cb -0.41 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 3fma s GLN 50 CO 0.32 -0.22 -0.10 0.96 -2.12 0.00 0.00 175.29 174.14 3fma s ILE 51 N 1.48 1.10 -0.08 1.08 -5.25 0.35 -1.80 121.20 118.08 3fma s ILE 51 Ca 0.53 -2.00 -0.06 0.00 -0.99 0.00 0.00 60.65 58.13 3fma s ILE 51 Cb -0.22 -1.77 0.03 0.00 2.95 0.00 0.00 42.46 43.44 3fma s ILE 51 CO 0.24 -0.73 0.19 -0.55 -1.79 0.00 0.00 174.94 172.31 3fma s SER 52 N -3.06 -0.20 -0.30 4.36 0.15 0.48 -2.13 113.70 113.00 3fma s SER 52 Ca 0.15 0.40 -0.16 0.00 0.70 0.00 0.00 55.95 57.04 3fma s SER 52 Cb 0.02 0.37 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3fma s SER 52 CO -0.00 -0.09 0.41 -0.60 1.20 0.00 0.00 173.24 174.16 3fma s ARG 53 N 0.45 3.82 0.22 5.44 3.00 -1.26 -1.01 118.95 129.60 3fma s ARG 53 Ca -0.03 -0.09 -0.30 0.00 -1.00 0.00 0.00 55.73 54.31 3fma s ARG 53 Cb -0.04 -3.73 -0.10 0.00 0.00 0.00 0.00 34.95 31.08 3fma s ARG 53 CO -0.02 -0.43 1.45 -0.51 0.00 0.00 0.00 175.30 175.80 3fma s LEU 54 N 2.15 4.38 -1.05 -0.88 1.02 -0.61 -0.46 118.68 123.23 3fma s LEU 54 Ca 0.16 2.61 -0.07 0.00 0.02 0.00 0.00 54.13 56.85 3fma s LEU 54 Cb -0.16 -3.61 -0.06 0.00 0.02 0.00 0.00 46.19 42.38 3fma s LEU 54 CO 0.11 -0.71 2.29 0.61 0.02 0.00 0.00 176.35 178.67 3fma n GLY 55 N 2.65 3.34 0.22 -3.19 0.00 -1.26 -4.55 105.19 102.39 3fma n GLY 55 Ca 0.09 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 6.01 0.00 -5.14 1.61 4.64 -1.94 -3.47 113.55 115.26 3fma h SER 56 Ca 0.57 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.80 3fma h SER 56 Cb 0.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.14 3fma h SER 56 CO 1.50 0.15 -0.36 0.42 -0.87 0.00 0.00 176.83 177.68 3fma s THR 57 N -3.37 0.13 0.81 2.95 -4.23 -1.26 -5.15 115.64 105.52 3fma s THR 57 Ca 0.04 -1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 59.30 3fma s THR 57 Cb 0.08 -1.26 0.03 0.00 1.34 0.00 0.00 72.50 72.69 3fma s THR 57 CO 0.65 -0.61 0.78 -2.65 -0.54 0.00 0.00 174.62 172.25 3fma n PRO 58 N 0.05 0.10 -3.57 3.99 -0.02 -1.26 -5.01 135.00 129.29 3fma n PRO 58 Ca -0.16 0.09 -0.15 0.00 -2.02 0.00 0.00 63.50 61.27 3fma n PRO 58 Cb 0.62 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 3fma n PRO 58 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3fma s GLU 59 N -3.54 0.88 0.01 -0.52 4.04 -1.26 -5.09 118.70 113.23 3fma s GLU 59 Ca 0.67 0.49 0.26 0.00 0.04 0.00 0.00 54.97 56.42 3fma s GLU 59 Cb -0.29 0.42 0.62 0.00 0.02 0.00 0.00 34.13 34.90 3fma s GLU 59 CO 0.57 -0.22 1.50 0.25 -1.84 0.00 0.00 175.26 175.52 3fma n THR 60 N 1.52 0.04 0.12 1.83 -2.24 -1.26 -4.05 114.28 110.24 3fma n THR 60 Ca -0.16 -0.03 0.02 0.00 -2.27 0.00 0.00 64.05 61.61 3fma n THR 60 Cb 0.56 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.00 0.00 -2.68 3.22 5.85 -2.00 -3.49 115.31 116.21 3fma h LEU 61 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fma h LEU 61 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3fma h LEU 61 CO 0.00 0.52 0.00 0.61 -0.34 0.00 0.00 178.44 179.23 3fma n GLY 62 N 1.25 0.78 0.00 3.75 0.00 -1.26 -5.03 105.19 104.68 3fma n GLY 62 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.34 0.00 -1.70 -0.61 -5.35 -1.26 -5.02 119.36 104.07 3fma n ILE 63 Ca 0.00 -0.19 -0.64 0.00 -0.27 0.00 0.00 62.75 61.65 3fma n ILE 63 Cb 0.50 1.27 -0.09 0.00 -1.74 0.00 0.00 39.64 39.58 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 -0.21 1.35 -0.91 7.28 3.02 -1.26 -1.90 115.26 122.63 3fma n ASN 64 Ca 0.00 1.16 -0.12 0.00 -0.03 0.00 0.00 54.58 55.59 3fma n ASN 64 Cb 0.07 -0.96 -0.05 0.00 -0.61 0.00 0.00 39.78 38.23 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 3.94 -5.27 -4.92 6.41 8.00 0.39 -4.86 116.55 120.25 3fma n ASP 65 Ca 0.28 0.29 -0.21 0.00 0.71 0.00 0.00 54.79 55.87 3fma n ASP 65 Cb 0.01 -3.81 -0.02 0.00 -0.02 0.00 0.00 41.12 37.28 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 -2.16 4.32 -0.34 0.53 -4.36 -0.80 -4.99 121.20 113.40 3fma s ILE 66 Ca 0.00 -1.16 -0.07 0.00 -0.26 0.00 0.00 60.65 59.16 3fma s ILE 66 Cb 0.00 -3.47 0.04 0.00 1.25 0.00 0.00 42.46 40.27 3fma s ILE 66 CO 0.00 -0.24 0.11 -0.36 0.24 0.00 0.00 174.94 174.69 3fma s PHE 67 N -2.15 3.25 0.18 1.37 0.08 -1.26 -4.23 117.98 115.23 3fma s PHE 67 Ca 0.39 -1.37 0.10 0.00 0.12 0.00 0.00 56.93 56.17 3fma s PHE 67 Cb -0.08 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 3fma s PHE 67 CO 0.28 -0.72 -0.20 0.96 -0.10 0.00 0.00 175.22 175.44 3fma s ILE 68 N 1.42 2.05 0.66 0.64 -4.36 -0.90 -4.89 121.20 115.80 3fma s ILE 68 Ca -0.01 -1.99 -0.13 0.00 -0.26 0.00 0.00 60.65 58.26 3fma s ILE 68 Cb -0.19 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 3fma s ILE 68 CO 0.03 -0.25 1.06 0.42 0.24 0.00 0.00 174.94 176.44 3fma s THR 69 N -1.95 3.84 0.25 8.37 -4.23 -1.26 -0.49 115.64 120.16 3fma s THR 69 Ca 0.18 0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 61.38 3fma s THR 69 Cb -0.06 -3.34 0.22 0.00 1.34 0.00 0.00 72.50 70.65 3fma s THR 69 CO 0.08 -0.66 1.80 0.25 -0.54 0.00 0.00 174.62 175.55 3fma h LEU 70 N -0.23 0.62 -0.29 4.79 5.85 -0.32 -1.06 115.31 124.68 3fma h LEU 70 Ca -0.45 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.39 3fma h LEU 70 Cb 1.22 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 3fma h LEU 70 CO 0.56 0.34 -0.28 1.23 -0.34 0.00 0.00 178.44 179.96 3fma h GLY 71 N 0.74 -0.21 1.71 3.75 0.00 -0.29 -2.52 103.07 106.25 3fma h GLY 71 Ca 0.41 0.35 -0.06 0.00 0.00 0.00 0.00 47.33 48.02 3fma h GLY 71 CO -0.27 -0.21 -0.13 0.83 0.00 0.00 0.00 176.54 176.76 3fma h GLU 72 N -0.26 0.35 -0.24 4.80 5.08 -1.56 -2.23 114.58 120.52 3fma h GLU 72 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3fma h GLU 72 Cb 0.50 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3fma h GLU 72 CO -0.44 0.49 0.00 -0.11 -1.00 0.00 0.00 179.01 177.95 3fma n LEU 73 N -4.24 0.17 0.00 1.33 7.94 -0.49 -1.13 117.00 120.59 3fma n LEU 73 Ca -0.00 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 3fma n LEU 73 Cb 0.29 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.17 3fma n LEU 73 CO 0.39 0.04 0.00 0.41 -1.11 0.00 0.00 177.39 177.12 3fma n THR 75 N 0.45 0.00 0.06 1.96 -1.04 -0.84 -1.45 114.28 113.42 3fma n THR 75 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3fma n THR 75 Cb 0.04 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.50 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 -0.34 -0.98 -2.82 1.57 -1.41 0.13 116.57 112.72 3fma h LYS 76 Ca 0.00 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 3fma h LYS 76 Cb 0.00 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.30 3fma h LYS 76 CO 0.00 -0.22 0.62 -0.07 -0.57 0.00 0.00 179.45 179.21 3fma h LEU 77 N -0.35 0.86 0.40 2.94 3.38 -1.52 -1.80 115.31 119.23 3fma h LEU 77 Ca 0.06 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3fma h LEU 77 Cb 0.42 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3fma h LEU 77 CO -0.20 0.44 -0.19 -0.08 0.09 0.00 0.00 178.44 178.50 3fma h GLU 78 N 0.91 -0.52 0.00 1.13 4.81 -1.72 -3.27 114.58 115.92 3fma h GLU 78 Ca 0.50 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.76 3fma h GLU 78 Cb 0.58 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 3fma h GLU 78 CO -0.27 -0.21 -0.00 0.87 -0.73 0.00 0.00 179.01 178.67 3fma h LYS 79 N -0.98 0.00 -0.12 1.92 1.57 -0.51 -1.37 116.57 117.09 3fma h LYS 79 Ca -0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3fma h LYS 79 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3fma h LYS 79 CO 0.09 0.00 0.06 -0.92 -0.57 0.00 0.00 179.45 178.11 3fma h TYR 80 N 0.00 0.15 -5.81 -1.35 5.03 -1.38 -3.48 116.97 110.14 3fma h TYR 80 Ca -0.00 0.00 -0.29 0.00 2.58 0.00 0.00 58.73 61.02 3fma h TYR 80 Cb 0.01 -0.05 0.11 0.00 1.55 0.00 0.00 36.73 38.35 3fma h TYR 80 CO 0.00 0.11 -0.76 -3.47 -1.32 0.00 0.00 178.16 172.73 3fma n ASP 81 N -4.50 -6.26 -4.69 -2.11 2.03 -0.52 -4.95 116.55 95.55 3fma n ASP 81 Ca -0.01 -0.73 -0.42 0.00 0.52 0.00 0.00 54.79 54.14 3fma n ASP 81 Cb 0.10 -4.33 -0.03 0.00 -0.72 0.00 0.00 41.12 36.14 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 -3.33 3.86 0.44 5.18 2.01 -1.26 -4.97 115.64 117.57 3fma s THR 82 Ca 0.36 1.24 -0.23 0.00 0.31 0.00 0.00 61.69 63.38 3fma s THR 82 Cb -0.09 -3.80 -0.11 0.00 0.01 0.00 0.00 72.50 68.51 3fma s THR 82 CO 0.80 0.01 0.72 -0.90 -0.69 0.00 0.00 174.62 174.55 3fma n ASP 83 N 5.17 -0.11 0.11 3.53 5.75 -1.26 -4.69 116.55 125.05 3fma n ASP 83 Ca 0.12 0.94 0.06 0.00 -0.01 0.00 0.00 54.79 55.90 3fma n ASP 83 Cb 0.44 -1.21 0.51 0.00 -1.03 0.00 0.00 41.12 39.84 3fma n ASP 83 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3fma h PRO 84 N 0.99 0.31 0.04 0.11 0.13 -1.98 -0.45 132.00 131.15 3fma h PRO 84 Ca -0.42 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3fma h PRO 84 Cb 1.38 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3fma h PRO 84 CO 0.53 0.21 -0.02 0.74 -0.23 0.00 0.00 178.00 179.23 3fma h PHE 85 N 0.32 -0.05 -0.85 1.56 0.04 -1.99 0.13 116.94 116.09 3fma h PHE 85 Ca 0.09 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3fma h PHE 85 Cb -0.03 0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 3fma h PHE 85 CO 0.00 0.34 0.50 1.15 -0.60 0.00 0.00 178.31 179.70 3fma h THR 86 N -0.45 1.24 0.04 -1.55 2.02 -1.90 -1.70 112.91 110.60 3fma h THR 86 Ca -0.01 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.66 3fma h THR 86 Cb 0.41 0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 3fma h THR 86 CO 0.01 0.26 -0.23 0.74 0.37 0.00 0.00 175.52 176.66 3fma h THR 87 N 1.17 0.46 -0.24 3.16 2.02 -0.92 0.88 112.91 119.45 3fma h THR 87 Ca 0.30 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.54 3fma h THR 87 Cb -0.03 0.46 -0.06 0.00 -1.74 0.00 0.00 68.15 66.79 3fma h THR 87 CO -0.05 0.00 -0.15 0.15 0.37 0.00 0.00 175.52 175.83 3fma h PHE 88 N -0.39 -0.38 -0.37 3.16 3.57 -0.55 -1.29 116.94 120.70 3fma h PHE 88 Ca 0.05 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3fma h PHE 88 Cb 0.45 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 3fma h PHE 88 CO -0.26 -0.22 0.23 -0.44 -2.23 0.00 0.00 178.31 175.39 3fma h ASP 89 N -0.14 0.43 0.72 0.41 5.19 -0.91 0.65 116.42 122.77 3fma h ASP 89 Ca 0.13 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 3fma h ASP 89 Cb 0.34 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3fma h ASP 89 CO -0.33 0.35 -0.27 0.11 -3.12 0.00 0.00 179.24 175.98 3fma h LYS 90 N 0.48 0.00 0.00 3.56 1.79 -0.59 -3.29 116.57 118.52 3fma h LYS 90 Ca 0.13 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.30 3fma h LYS 90 Cb -0.01 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 3fma h LYS 90 CO -0.03 0.27 -2.04 1.28 -1.08 0.00 0.00 179.45 177.85 3fma n LEU 91 N -3.56 1.98 -0.01 2.94 4.77 -0.51 -4.83 117.00 117.78 3fma n LEU 91 Ca -0.01 0.10 0.09 0.00 -0.03 0.00 0.00 56.01 56.17 3fma n LEU 91 Cb 0.42 -0.58 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 3fma n LEU 91 CO 0.34 0.55 -0.47 1.41 -1.33 0.00 0.00 177.39 177.89 3fma n HIS 92 N -3.53 0.00 -2.66 -1.77 8.25 0.20 -4.96 115.22 110.75 3fma n HIS 92 Ca -0.35 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 3fma n HIS 92 Cb 0.79 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 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 -3.10 4.71 0.22 1.59 1.01 -1.19 -5.04 120.40 118.61 3fma s VAL 93 Ca -0.02 1.97 0.06 0.00 0.00 0.00 0.00 61.98 63.99 3fma s VAL 93 Cb 0.13 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3fma s VAL 93 CO 0.78 0.05 0.21 -1.10 0.00 0.00 0.00 175.10 175.03 3fma s GLN 94 N 1.75 3.02 1.02 2.72 -0.21 -1.26 -4.97 119.66 121.74 3fma s GLN 94 Ca 0.51 -0.94 -0.14 0.00 0.02 0.00 0.00 55.36 54.80 3fma s GLN 94 Cb -0.20 -2.65 0.20 0.00 1.00 0.00 0.00 33.01 31.36 3fma s GLN 94 CO 0.21 0.43 1.13 0.95 -2.12 0.00 0.00 175.29 175.89 3fma s THR 95 N -2.00 1.91 -2.00 -0.19 -4.23 -1.26 -5.25 115.64 102.62 3fma s THR 95 Ca 0.33 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 61.03 3fma s THR 95 Cb -0.09 -2.62 0.56 0.00 1.34 0.00 0.00 72.50 71.70 3fma s THR 95 CO 0.25 0.00 1.57 0.35 -0.54 0.00 0.00 174.62 176.26