#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fma s VAL 12 N 0.00 2.66 -0.31 0.52 -7.23 -1.26 -4.99 120.40 109.79 3fma s VAL 12 Ca 0.00 0.55 -0.21 0.00 -1.81 0.00 0.00 61.98 60.51 3fma s VAL 12 Cb 0.00 -3.35 -0.01 0.00 0.56 0.00 0.00 36.38 33.58 3fma s VAL 12 CO 0.00 0.09 0.66 -0.55 -0.31 0.00 0.00 175.10 174.99 3fma s SER 13 N 0.38 6.52 -0.20 4.85 0.15 -1.26 -5.04 113.70 119.11 3fma s SER 13 Ca 0.60 0.45 -0.15 0.00 0.70 0.00 0.00 55.95 57.55 3fma s SER 13 Cb -0.42 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 3fma s SER 13 CO 0.43 -0.51 0.36 -0.69 1.20 0.00 0.00 173.24 174.03 3fma s VAL 14 N 2.68 5.23 -0.08 4.45 1.01 -1.26 -5.07 120.40 127.35 3fma s VAL 14 Ca 0.26 0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 3fma s VAL 14 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3fma s VAL 14 CO 0.12 0.28 -0.05 -0.70 0.00 0.00 0.00 175.10 174.75 3fma s GLU 15 N 1.19 2.93 0.57 2.72 2.12 -1.26 -5.12 118.70 121.84 3fma s GLU 15 Ca 0.18 -0.52 -0.08 0.00 0.36 0.00 0.00 54.97 54.91 3fma s GLU 15 Cb -0.14 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 3fma s GLU 15 CO 0.07 0.61 0.93 -1.12 -0.54 0.00 0.00 175.26 175.21 3fma s SER 16 N -0.65 6.11 -0.00 -1.70 0.01 -1.26 -4.92 113.70 111.28 3fma s SER 16 Ca 0.10 1.13 0.04 0.00 1.31 0.00 0.00 55.95 58.52 3fma s SER 16 Cb -0.12 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 3fma s SER 16 CO 0.02 -0.82 -0.09 -0.44 0.41 0.00 0.00 173.24 172.32 3fma s SER 17 N -4.18 4.45 0.11 2.44 0.01 -1.26 -1.82 113.70 113.44 3fma s SER 17 Ca 0.52 -0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.66 3fma s SER 17 Cb -0.11 -0.99 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 3fma s SER 17 CO 0.49 0.29 -0.14 0.26 0.41 0.00 0.00 173.24 174.55 3fma s TRP 18 N -0.95 1.36 0.14 2.43 0.52 0.21 -2.06 118.94 120.60 3fma s TRP 18 Ca 0.16 -0.54 0.08 0.00 0.02 0.00 0.00 56.10 55.82 3fma s TRP 18 Cb -0.11 -0.72 -0.04 0.00 -1.15 0.00 0.00 33.47 31.45 3fma s TRP 18 CO 0.06 0.12 -0.19 1.03 0.02 0.00 0.00 176.95 177.99 3fma s ARG 19 N -2.49 1.22 0.06 4.98 0.52 0.05 -0.91 118.95 122.37 3fma s ARG 19 Ca 0.07 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 3fma s ARG 19 Cb -0.06 -1.36 -0.04 0.00 0.52 0.00 0.00 34.95 34.02 3fma s ARG 19 CO 0.03 0.29 -0.04 1.52 0.02 0.00 0.00 175.30 177.12 3fma s TYR 20 N -1.72 0.59 -0.20 -0.53 -0.85 -0.52 -0.42 117.35 113.70 3fma s TYR 20 Ca 0.12 -0.92 -0.05 0.00 -0.52 0.00 0.00 57.07 55.70 3fma s TYR 20 Cb -0.07 -0.40 -0.02 0.00 0.38 0.00 0.00 41.96 41.85 3fma s TYR 20 CO 0.06 -0.28 0.00 0.42 -1.52 0.00 0.00 175.55 174.23 3fma s ILE 21 N -3.36 3.97 0.82 -3.49 1.01 -0.89 -0.44 121.20 118.82 3fma s ILE 21 Ca 0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 3fma s ILE 21 Cb 0.04 -2.80 0.10 0.00 0.01 0.00 0.00 42.46 39.82 3fma s ILE 21 CO -0.07 0.43 1.18 1.51 0.00 0.00 0.00 174.94 177.99 3fma s ASP 22 N 0.98 4.26 0.30 3.58 1.47 -0.24 -4.46 116.67 122.56 3fma s ASP 22 Ca 0.02 0.59 0.23 0.00 1.18 0.00 0.00 52.55 54.57 3fma s ASP 22 Cb -0.14 -1.01 1.11 0.00 -0.34 0.00 0.00 42.92 42.53 3fma s ASP 22 CO 0.02 -2.03 1.69 0.35 0.68 0.00 0.00 175.17 175.88 3fma n THR 23 N -3.34 0.94 1.01 2.11 -2.24 -1.26 -0.35 114.28 111.15 3fma n THR 23 Ca 0.10 0.53 0.08 0.00 -2.27 0.00 0.00 64.05 62.49 3fma n THR 23 Cb 0.61 -1.50 0.27 0.00 -2.10 0.00 0.00 70.33 67.60 3fma n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fma n GLN 24 N -2.27 1.81 -1.00 -0.78 1.13 -1.26 -4.92 117.38 110.09 3fma n GLN 24 Ca -0.00 -1.24 0.00 0.00 -1.94 0.00 0.00 57.00 53.82 3fma n GLN 24 Cb 0.12 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.12 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 1.12 0.83 3.73 1.08 0.00 0.53 -5.02 105.19 107.46 3fma n GLY 25 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.01 4.75 -0.36 1.61 0.74 -1.25 -4.75 119.66 120.38 3fma s GLN 26 Ca 0.00 1.47 -0.17 0.00 0.05 0.00 0.00 55.36 56.71 3fma s GLN 26 Cb 0.00 -3.35 -0.00 0.00 1.10 0.00 0.00 33.01 30.76 3fma s GLN 26 CO 0.00 0.30 0.44 0.42 -0.55 0.00 0.00 175.29 175.90 3fma s ILE 27 N -0.36 5.09 -0.01 -2.34 1.01 -1.26 -1.08 121.20 122.26 3fma s ILE 27 Ca 0.45 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 61.21 3fma s ILE 27 Cb -0.24 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3fma s ILE 27 CO 0.31 -0.20 0.08 -1.00 0.00 0.00 0.00 174.94 174.12 3fma s HIS 28 N 2.20 3.27 -1.02 3.97 3.76 0.42 -4.96 115.29 122.93 3fma s HIS 28 Ca 0.15 0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 3fma s HIS 28 Cb -0.16 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.79 3fma s HIS 28 CO 0.13 0.55 0.00 0.41 -0.85 0.00 0.00 174.74 174.97 3fma n GLY 29 N 1.22 0.45 3.76 -2.22 0.00 -1.26 -1.43 105.19 105.71 3fma n GLY 29 Ca -0.13 -2.22 -0.38 0.00 0.00 0.00 0.00 46.02 43.28 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 -0.41 3.71 0.07 1.61 0.04 -1.26 -5.05 135.00 133.72 3fma s PRO 30 Ca 0.00 2.02 0.09 0.00 0.04 0.00 0.00 61.00 63.15 3fma s PRO 30 Cb 0.00 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 3fma s PRO 30 CO 0.00 -0.66 -0.24 -0.06 0.04 0.00 0.00 177.00 176.08 3fma s PHE 31 N -1.38 2.07 0.68 0.56 0.08 -0.09 -4.84 117.98 115.06 3fma s PHE 31 Ca 0.62 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 57.15 3fma s PHE 31 Cb -0.35 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 40.90 3fma s PHE 31 CO 0.43 0.16 1.07 0.95 -0.10 0.00 0.00 175.22 177.73 3fma s THR 32 N -0.89 3.68 0.27 0.64 -4.23 -1.26 0.67 115.64 114.53 3fma s THR 32 Ca 0.10 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 3fma s THR 32 Cb -0.10 -3.23 0.27 0.00 1.34 0.00 0.00 72.50 70.78 3fma s THR 32 CO 0.03 -0.62 1.69 0.74 -0.54 0.00 0.00 174.62 175.92 3fma h THR 33 N -0.39 0.47 0.00 3.99 2.02 -1.72 -3.42 112.91 113.87 3fma h THR 33 Ca -0.45 -0.12 -0.47 0.00 0.77 0.00 0.00 66.41 66.14 3fma h THR 33 Cb 1.22 0.10 0.11 0.00 -1.74 0.00 0.00 68.15 67.84 3fma h THR 33 CO 0.55 0.06 1.39 1.67 0.37 0.00 0.00 175.52 179.56 3fma n GLN 34 N -5.10 0.15 0.00 6.66 7.27 -1.26 -4.62 117.38 120.48 3fma n GLN 34 Ca 0.19 -0.97 0.00 0.00 0.07 0.00 0.00 57.00 56.29 3fma n GLN 34 Cb 0.59 -2.43 0.00 0.00 2.41 0.00 0.00 30.24 30.81 3fma n GLN 34 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3fma n SER 37 N 7.99 0.00 -0.17 1.69 2.88 -1.26 -4.74 113.62 120.02 3fma n SER 37 Ca 0.38 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.89 3fma n SER 37 Cb 0.33 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.35 -0.51 -1.46 4.20 -1.96 0.52 115.11 116.24 3fma h GLN 38 Ca 0.00 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 3fma h GLN 38 Cb 0.00 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3fma h GLN 38 CO 0.00 0.23 0.08 -1.49 -0.67 0.00 0.00 178.83 176.98 3fma h TRP 39 N 0.36 0.83 0.05 2.96 6.55 -1.96 0.18 115.95 124.92 3fma h TRP 39 Ca 0.26 -0.09 -0.00 0.00 0.95 0.00 0.00 58.89 60.01 3fma h TRP 39 Cb 0.29 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.35 3fma h TRP 39 CO -0.17 0.72 -0.02 -0.92 -1.05 0.00 0.00 178.44 177.00 3fma h TYR 40 N 0.76 -0.06 -0.66 0.49 3.20 -1.71 -1.47 116.97 117.52 3fma h TYR 40 Ca 0.16 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.15 3fma h TYR 40 Cb 0.34 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 3fma h TYR 40 CO 0.02 0.19 0.44 0.82 -1.64 0.00 0.00 178.16 177.99 3fma h ILE 41 N -0.31 0.85 -0.05 1.81 2.04 0.31 0.16 117.51 122.31 3fma h ILE 41 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3fma h ILE 41 Cb 0.28 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3fma h ILE 41 CO 0.01 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.84 3fma n GLY 42 N -1.53 -0.40 2.96 5.37 0.00 0.60 -4.95 105.19 107.24 3fma n GLY 42 Ca 0.12 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 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 1.01 -0.19 0.04 -0.02 0.00 0.56 -4.95 105.19 101.64 3fma n GLY 43 Ca 0.18 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.33 0.30 -3.48 1.61 4.01 -0.58 -4.89 117.16 109.80 3fma n TYR 44 Ca -0.02 0.09 -0.38 0.00 -0.16 0.00 0.00 57.90 57.42 3fma n TYR 44 Cb 0.56 -0.46 -0.09 0.00 -0.31 0.00 0.00 39.34 39.04 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 -3.19 3.29 0.33 -0.72 0.08 -1.26 -5.05 117.98 111.45 3fma s PHE 45 Ca 0.04 0.38 -0.27 0.00 0.12 0.00 0.00 56.93 57.19 3fma s PHE 45 Cb 0.14 -2.47 -0.09 0.00 -0.57 0.00 0.00 43.02 40.03 3fma s PHE 45 CO 0.79 -0.10 1.12 0.00 -0.10 0.00 0.00 175.22 176.93 3fma s ALA 46 N 1.61 3.30 0.55 5.36 0.00 -1.26 -4.94 121.76 126.38 3fma s ALA 46 Ca 0.13 0.90 0.26 0.00 0.00 0.00 0.00 51.96 53.25 3fma s ALA 46 Cb -0.15 -3.34 1.47 0.00 0.00 0.00 0.00 23.12 21.10 3fma s ALA 46 CO 0.08 -0.28 2.02 0.66 0.00 0.00 0.00 175.76 178.24 3fma h SER 47 N 3.29 0.00 0.92 0.00 4.64 -1.98 -0.83 113.55 119.60 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 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3fma h SER 47 CO 0.65 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.96 3fma n THR 48 N -4.13 0.53 -1.81 2.95 -2.24 -1.26 0.25 114.28 108.56 3fma n THR 48 Ca 0.07 0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 3fma n THR 48 Cb 0.51 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 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 -3.55 4.39 -0.12 3.22 2.96 -0.32 -4.62 118.68 120.64 3fma s LEU 49 Ca 0.10 2.52 -0.29 0.00 -0.22 0.00 0.00 54.13 56.23 3fma s LEU 49 Cb 0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 3fma s LEU 49 CO 0.45 -0.99 1.35 -1.10 -1.32 0.00 0.00 176.35 174.74 3fma s GLN 50 N 3.99 4.24 0.28 1.98 -0.21 -1.26 -0.09 119.66 128.58 3fma s GLN 50 Ca 0.81 1.79 0.08 0.00 0.02 0.00 0.00 55.36 58.07 3fma s GLN 50 Cb -0.40 -3.78 -0.06 0.00 1.00 0.00 0.00 33.01 29.78 3fma s GLN 50 CO 0.36 -0.70 -0.10 0.96 -2.12 0.00 0.00 175.29 173.69 3fma s ILE 51 N 3.42 1.91 -0.11 1.08 -5.25 0.72 -2.10 121.20 120.86 3fma s ILE 51 Ca 0.59 -2.20 -0.08 0.00 -0.99 0.00 0.00 60.65 57.98 3fma s ILE 51 Cb -0.25 -2.40 0.04 0.00 2.95 0.00 0.00 42.46 42.79 3fma s ILE 51 CO 0.19 -0.34 0.28 -0.55 -1.79 0.00 0.00 174.94 172.73 3fma s SER 52 N -3.47 -0.30 -0.40 4.36 0.15 0.44 -2.20 113.70 112.28 3fma s SER 52 Ca 0.29 0.57 -0.16 0.00 0.70 0.00 0.00 55.95 57.35 3fma s SER 52 Cb 0.01 0.53 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 3fma s SER 52 CO 0.12 -0.13 0.36 -0.60 1.20 0.00 0.00 173.24 174.20 3fma s ARG 53 N 0.63 3.15 0.25 5.44 3.00 -1.26 -0.77 118.95 129.39 3fma s ARG 53 Ca -0.04 -0.80 -0.31 0.00 -1.00 0.00 0.00 55.73 53.58 3fma s ARG 53 Cb -0.05 -3.94 -0.13 0.00 0.00 0.00 0.00 34.95 30.83 3fma s ARG 53 CO -0.04 -0.73 1.49 1.28 0.00 0.00 0.00 175.30 177.30 3fma n LEU 54 N 5.37 3.53 -2.41 -0.88 4.32 -0.87 -0.67 117.00 125.38 3fma n LEU 54 Ca -0.09 1.14 -0.17 0.00 -0.02 0.00 0.00 56.01 56.87 3fma n LEU 54 Cb 0.48 -1.49 -0.11 0.00 -1.62 0.00 0.00 43.42 40.68 3fma n LEU 54 CO 0.43 -0.25 1.90 0.61 -1.22 0.00 0.00 177.39 178.85 3fma n GLY 55 N 2.29 3.02 0.21 -0.72 0.00 -1.26 -4.53 105.19 104.20 3fma n GLY 55 Ca 0.11 -1.10 0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 4.01 0.00 -5.12 1.61 4.64 -1.95 -3.46 113.55 113.29 3fma h SER 56 Ca 0.33 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.56 3fma h SER 56 Cb 1.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.94 3fma h SER 56 CO 0.66 0.29 -0.32 0.42 -0.87 0.00 0.00 176.83 177.01 3fma s THR 57 N -3.91 0.12 0.60 2.95 -4.23 -1.26 -5.15 115.64 104.76 3fma s THR 57 Ca -0.01 -0.98 -0.19 0.00 -1.18 0.00 0.00 61.69 59.32 3fma s THR 57 Cb 0.12 -1.18 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 3fma s THR 57 CO 0.66 -0.54 1.14 -2.65 -0.54 0.00 0.00 174.62 172.69 3fma n PRO 58 N 0.14 1.12 -3.65 3.99 -0.02 -1.26 -5.03 135.00 130.28 3fma n PRO 58 Ca -0.16 0.43 -0.15 0.00 -2.02 0.00 0.00 63.50 61.59 3fma n PRO 58 Cb 0.62 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 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 -2.94 0.79 0.08 -0.52 4.04 -1.26 -5.08 118.70 113.80 3fma s GLU 59 Ca 0.77 0.26 0.25 0.00 0.04 0.00 0.00 54.97 56.28 3fma s GLU 59 Cb -0.41 0.37 0.48 0.00 0.02 0.00 0.00 34.13 34.59 3fma s GLU 59 CO 0.46 -0.20 1.41 0.25 -1.84 0.00 0.00 175.26 175.34 3fma n THR 60 N 1.61 0.23 0.15 1.83 -2.24 -1.26 -3.99 114.28 110.61 3fma n THR 60 Ca -0.18 -0.17 0.02 0.00 -2.27 0.00 0.00 64.05 61.45 3fma n THR 60 Cb 0.56 -0.06 0.18 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.41 3.22 5.85 -2.00 -3.48 115.31 116.50 3fma h LEU 61 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3fma h LEU 61 Cb 0.65 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.69 3fma h LEU 61 CO 0.00 0.54 -0.04 0.61 -0.34 0.00 0.00 178.44 179.21 3fma n GLY 62 N 0.57 0.58 0.00 3.75 0.00 -1.26 -5.03 105.19 103.81 3fma n GLY 62 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.35 0.00 -1.70 -0.61 -5.35 -1.26 -5.05 119.36 104.04 3fma n ILE 63 Ca -0.01 -0.39 -0.66 0.00 -0.27 0.00 0.00 62.75 61.42 3fma n ILE 63 Cb 0.51 0.94 -0.10 0.00 -1.74 0.00 0.00 39.64 39.25 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 -0.91 1.28 -1.21 7.28 4.13 -1.26 -1.91 115.26 122.66 3fma n ASN 64 Ca 0.00 1.13 -0.16 0.00 1.68 0.00 0.00 54.58 57.23 3fma n ASN 64 Cb 0.00 -0.91 -0.07 0.00 -1.54 0.00 0.00 39.78 37.27 3fma n ASN 64 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3fma n ASP 65 N 4.47 -4.88 -4.76 6.41 8.00 0.15 -4.88 116.55 121.07 3fma n ASP 65 Ca 0.33 0.38 -0.22 0.00 0.71 0.00 0.00 54.79 55.98 3fma n ASP 65 Cb -0.04 -3.76 -0.05 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 -2.59 3.91 -0.35 0.53 -4.36 -0.80 -5.01 121.20 112.54 3fma s ILE 66 Ca 0.00 -1.60 -0.05 0.00 -0.26 0.00 0.00 60.65 58.74 3fma s ILE 66 Cb 0.00 -3.16 0.06 0.00 1.25 0.00 0.00 42.46 40.61 3fma s ILE 66 CO 0.00 -0.33 0.11 -0.36 0.24 0.00 0.00 174.94 174.60 3fma s PHE 67 N -2.24 3.31 0.19 1.37 0.08 -1.26 -4.32 117.98 115.11 3fma s PHE 67 Ca 0.33 -1.67 0.11 0.00 0.12 0.00 0.00 56.93 55.81 3fma s PHE 67 Cb -0.07 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 3fma s PHE 67 CO 0.23 -0.80 -0.22 0.96 -0.10 0.00 0.00 175.22 175.30 3fma s ILE 68 N 1.34 2.19 0.62 0.64 -4.36 -0.94 -4.89 121.20 115.81 3fma s ILE 68 Ca -0.01 -2.03 -0.15 0.00 -0.26 0.00 0.00 60.65 58.21 3fma s ILE 68 Cb -0.20 -2.05 -0.02 0.00 1.25 0.00 0.00 42.46 41.43 3fma s ILE 68 CO 0.01 -0.20 1.07 0.42 0.24 0.00 0.00 174.94 176.48 3fma s THR 69 N -1.86 3.69 0.29 8.37 -4.23 -1.26 -0.20 115.64 120.44 3fma s THR 69 Ca 0.20 0.77 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 3fma s THR 69 Cb -0.07 -3.31 0.29 0.00 1.34 0.00 0.00 72.50 70.75 3fma s THR 69 CO 0.09 -0.50 1.87 0.25 -0.54 0.00 0.00 174.62 175.79 3fma h LEU 70 N 0.21 0.91 -0.12 4.79 5.85 0.30 -1.50 115.31 125.75 3fma h LEU 70 Ca -0.46 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.33 3fma h LEU 70 Cb 1.23 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 3fma h LEU 70 CO 0.56 0.53 -0.35 1.23 -0.34 0.00 0.00 178.44 180.07 3fma h GLY 71 N 1.00 -0.52 1.26 3.75 0.00 -0.50 -2.72 103.07 105.35 3fma h GLY 71 Ca 0.45 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 48.21 3fma h GLY 71 CO -0.21 -0.22 0.42 0.83 0.00 0.00 0.00 176.54 177.36 3fma h GLU 72 N -0.43 0.98 0.00 4.80 5.08 -1.55 -1.44 114.58 122.01 3fma h GLU 72 Ca 0.09 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fma h GLU 72 Cb 0.57 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fma h GLU 72 CO -0.36 0.70 0.00 -0.11 -1.00 0.00 0.00 179.01 178.23 3fma n LEU 73 N -4.38 0.00 0.00 1.33 7.94 -0.77 -0.50 117.00 120.61 3fma n LEU 73 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 3fma n LEU 73 Cb 0.08 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 3fma n LEU 73 CO 0.37 0.00 0.00 0.41 -1.11 0.00 0.00 177.39 177.06 3fma n THR 75 N 0.41 0.00 -0.23 1.96 -1.04 -0.55 -1.37 114.28 113.47 3fma n THR 75 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3fma n THR 75 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.62 -0.14 -2.82 1.57 -1.07 -0.41 116.57 114.32 3fma h LYS 76 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3fma h LYS 76 Cb 0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3fma h LYS 76 CO 0.00 0.41 0.09 -0.07 -0.57 0.00 0.00 179.45 179.31 3fma h LEU 77 N 0.64 0.16 0.60 2.94 3.38 -1.47 -2.18 115.31 119.37 3fma h LEU 77 Ca 0.31 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 3fma h LEU 77 Cb 0.24 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3fma h LEU 77 CO -0.21 0.12 -0.29 -0.33 0.09 0.00 0.00 178.44 177.82 3fma h GLU 78 N 0.18 -0.77 -0.00 1.13 5.08 -1.81 -3.17 114.58 115.22 3fma h GLU 78 Ca 0.05 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3fma h GLU 78 Cb -0.02 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3fma h GLU 78 CO -0.01 -0.50 0.03 -0.22 -1.00 0.00 0.00 179.01 177.31 3fma h LYS 79 N -0.84 0.00 -0.04 2.33 3.64 -1.00 -0.54 116.57 120.12 3fma h LYS 79 Ca -0.08 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3fma h LYS 79 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 3fma h LYS 79 CO 0.13 0.00 -0.29 -0.92 -2.27 0.00 0.00 179.45 176.10 3fma h TYR 80 N 0.00 0.08 -5.48 1.91 5.03 -1.36 -3.48 116.97 113.67 3fma h TYR 80 Ca 0.00 -0.01 -0.26 0.00 2.58 0.00 0.00 58.73 61.04 3fma h TYR 80 Cb 0.06 -0.02 0.19 0.00 1.55 0.00 0.00 36.73 38.52 3fma h TYR 80 CO 0.00 0.36 -0.84 -3.47 -1.32 0.00 0.00 178.16 172.89 3fma n ASP 81 N -4.17 -5.84 -4.71 -2.11 2.03 -0.21 -4.95 116.55 96.58 3fma n ASP 81 Ca -0.02 -0.69 -0.42 0.00 0.52 0.00 0.00 54.79 54.18 3fma n ASP 81 Cb 0.35 -5.19 -0.03 0.00 -0.72 0.00 0.00 41.12 35.54 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 -3.38 3.24 0.51 5.18 2.01 -1.26 -4.97 115.64 116.96 3fma s THR 82 Ca 0.38 0.87 -0.21 0.00 0.31 0.00 0.00 61.69 63.03 3fma s THR 82 Cb -0.05 -3.56 -0.08 0.00 0.01 0.00 0.00 72.50 68.82 3fma s THR 82 CO 0.74 0.06 0.97 -0.90 -0.69 0.00 0.00 174.62 174.80 3fma n ASP 83 N 4.08 0.98 0.03 3.53 5.68 -1.26 -4.77 116.55 124.82 3fma n ASP 83 Ca 0.12 0.92 0.05 0.00 -0.50 0.00 0.00 54.79 55.38 3fma n ASP 83 Cb 0.42 -1.37 0.46 0.00 -1.14 0.00 0.00 41.12 39.49 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 1.06 0.46 -0.00 0.11 0.13 -1.98 -1.10 132.00 130.67 3fma h PRO 84 Ca -0.46 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.54 0.30 -0.00 0.74 -0.23 0.00 0.00 178.00 179.35 3fma h PHE 85 N 0.47 0.00 -0.50 1.56 0.04 -1.99 0.19 116.94 116.72 3fma h PHE 85 Ca 0.14 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 3fma h PHE 85 Cb -0.01 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 3fma h PHE 85 CO -0.00 0.36 0.23 1.15 -0.60 0.00 0.00 178.31 179.45 3fma h THR 86 N -0.36 1.20 0.06 -1.55 2.02 -1.92 -1.84 112.91 110.53 3fma h THR 86 Ca 0.00 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.61 3fma h THR 86 Cb 0.36 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3fma h THR 86 CO 0.00 0.23 -0.15 0.74 0.37 0.00 0.00 175.52 176.70 3fma h THR 87 N 0.66 0.64 -0.32 3.16 2.02 -1.06 0.32 112.91 118.32 3fma h THR 87 Ca 0.17 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.42 3fma h THR 87 Cb 0.14 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 67.12 3fma h THR 87 CO -0.02 0.00 -0.22 0.15 0.37 0.00 0.00 175.52 175.80 3fma h PHE 88 N -0.28 -0.58 -0.90 3.16 3.57 -0.56 -1.74 116.94 119.61 3fma h PHE 88 Ca 0.03 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3fma h PHE 88 Cb 0.31 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 3fma h PHE 88 CO -0.18 -0.30 0.49 -0.44 -2.23 0.00 0.00 178.31 175.65 3fma h ASP 89 N -0.19 1.12 1.40 0.41 5.19 -0.59 0.36 116.42 124.13 3fma h ASP 89 Ca 0.16 -0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.38 3fma h ASP 89 Cb 0.44 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 3fma h ASP 89 CO -0.43 0.90 -0.47 0.11 -3.12 0.00 0.00 179.24 176.23 3fma h LYS 90 N 1.26 0.00 0.00 3.56 1.79 -0.73 -3.32 116.57 119.12 3fma h LYS 90 Ca 0.32 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.50 3fma h LYS 90 Cb 0.03 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 3fma h LYS 90 CO -0.05 0.47 -2.07 1.28 -1.08 0.00 0.00 179.45 178.00 3fma n LEU 91 N -3.26 1.09 -0.00 2.94 4.77 -0.68 -4.83 117.00 117.03 3fma n LEU 91 Ca 0.02 -0.04 0.03 0.00 -0.03 0.00 0.00 56.01 55.98 3fma n LEU 91 Cb 0.69 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 3fma n LEU 91 CO 0.40 0.54 -0.58 1.41 -1.33 0.00 0.00 177.39 177.83 3fma n HIS 92 N -2.75 0.00 -2.40 -1.77 8.25 0.10 -4.99 115.22 111.67 3fma n HIS 92 Ca -0.28 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.75 3fma n HIS 92 Cb 0.95 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.89 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 -2.39 4.16 0.75 1.59 1.01 -1.23 -5.02 120.40 119.27 3fma s VAL 93 Ca -0.02 1.34 -0.04 0.00 0.00 0.00 0.00 61.98 63.26 3fma s VAL 93 Cb 0.04 -4.07 0.13 0.00 0.00 0.00 0.00 36.38 32.48 3fma s VAL 93 CO 0.24 -0.35 1.04 -1.10 0.00 0.00 0.00 175.10 174.94 3fma s GLN 94 N 3.97 1.57 0.32 2.72 -0.21 -1.26 -4.98 119.66 121.80 3fma s GLN 94 Ca 0.57 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 55.05 3fma s GLN 94 Cb -0.19 -2.24 -0.03 0.00 1.00 0.00 0.00 33.01 31.55 3fma s GLN 94 CO 0.21 -1.57 0.51 0.99 -2.12 0.00 0.00 175.29 173.31 3fma s THR 95 N -3.26 5.14 -0.95 -0.19 2.01 -1.26 -5.24 115.64 111.89 3fma s THR 95 Ca 0.67 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.10 3fma s THR 95 Cb -0.06 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.59 3fma s THR 95 CO 0.46 -0.51 0.24 0.35 -0.69 0.00 0.00 174.62 174.46