#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 6.59 -0.06 4.52 0.15 -1.26 -5.02 113.70 118.62 3fma s SER 13 Ca 0.00 0.36 -0.18 0.00 0.70 0.00 0.00 55.95 56.82 3fma s SER 13 Cb 0.00 -2.51 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 3fma s SER 13 CO 0.00 -1.14 0.51 -0.69 1.20 0.00 0.00 173.24 173.12 3fma s VAL 14 N 4.10 5.08 -0.13 4.45 1.01 -1.26 -5.07 120.40 128.58 3fma s VAL 14 Ca 0.43 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.47 3fma s VAL 14 Cb -0.09 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3fma s VAL 14 CO 0.28 0.39 -0.22 -0.70 0.00 0.00 0.00 175.10 174.86 3fma s GLU 15 N 0.12 3.06 0.71 2.72 2.12 -1.26 -5.13 118.70 121.05 3fma s GLU 15 Ca 0.27 -0.85 -0.12 0.00 0.36 0.00 0.00 54.97 54.64 3fma s GLU 15 Cb -0.16 -2.41 0.03 0.00 0.26 0.00 0.00 34.13 31.84 3fma s GLU 15 CO 0.13 0.06 1.09 -1.12 -0.54 0.00 0.00 175.26 174.88 3fma s SER 16 N 0.64 4.94 0.15 -1.70 0.01 -1.26 -4.88 113.70 111.61 3fma s SER 16 Ca -0.11 1.82 0.08 0.00 1.31 0.00 0.00 55.95 59.04 3fma s SER 16 Cb -0.16 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 3fma s SER 16 CO 0.02 -1.74 -0.08 -0.44 0.41 0.00 0.00 173.24 171.42 3fma s SER 17 N -3.25 4.40 0.05 2.44 0.01 -1.26 -1.64 113.70 114.45 3fma s SER 17 Ca 0.62 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 57.41 3fma s SER 17 Cb -0.17 -0.82 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 3fma s SER 17 CO 0.51 0.12 -0.06 0.26 0.41 0.00 0.00 173.24 174.49 3fma s TRP 18 N -1.55 0.60 0.15 2.43 0.52 0.95 -1.99 118.94 120.05 3fma s TRP 18 Ca 0.24 -0.69 0.09 0.00 0.02 0.00 0.00 56.10 55.76 3fma s TRP 18 Cb -0.10 -0.37 -0.04 0.00 -1.15 0.00 0.00 33.47 31.81 3fma s TRP 18 CO 0.15 -0.17 -0.20 1.03 0.02 0.00 0.00 176.95 177.79 3fma s ARG 19 N -2.42 1.27 0.05 4.98 0.52 -0.06 -0.37 118.95 122.93 3fma s ARG 19 Ca -0.04 -1.36 0.01 0.00 -0.52 0.00 0.00 55.73 53.82 3fma s ARG 19 Cb -0.04 -1.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.99 3fma s ARG 19 CO -0.03 0.30 -0.06 1.52 0.02 0.00 0.00 175.30 177.06 3fma s TYR 20 N -1.78 0.60 -0.20 -0.53 -0.85 -0.76 -0.54 117.35 113.29 3fma s TYR 20 Ca 0.14 -0.67 -0.06 0.00 -0.52 0.00 0.00 57.07 55.96 3fma s TYR 20 Cb -0.07 -0.37 -0.03 0.00 0.38 0.00 0.00 41.96 41.86 3fma s TYR 20 CO 0.06 -0.16 0.04 0.42 -1.52 0.00 0.00 175.55 174.39 3fma s ILE 21 N -2.19 4.42 0.60 -3.49 1.01 -0.52 -0.77 121.20 120.26 3fma s ILE 21 Ca -0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 3fma s ILE 21 Cb -0.05 -3.00 0.13 0.00 0.01 0.00 0.00 42.46 39.56 3fma s ILE 21 CO -0.02 0.43 0.81 -0.90 0.00 0.00 0.00 174.94 175.26 3fma n ASP 22 N 3.97 0.34 0.21 3.58 5.68 -0.28 -4.19 116.55 125.85 3fma n ASP 22 Ca -0.17 -1.47 0.15 0.00 -0.50 0.00 0.00 54.79 52.80 3fma n ASP 22 Cb 0.52 -0.60 0.52 0.00 -1.14 0.00 0.00 41.12 40.43 3fma n ASP 22 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3fma h THR 23 N -1.19 0.00 -0.01 2.12 1.35 -2.00 -2.34 112.91 110.84 3fma h THR 23 Ca -0.26 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3fma h THR 23 Cb 0.80 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3fma h THR 23 CO 0.21 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.45 3fma n GLN 24 N -2.75 1.45 -0.68 4.72 1.13 -1.26 -4.93 117.38 115.05 3fma n GLN 24 Ca 0.02 -0.77 0.00 0.00 -1.94 0.00 0.00 57.00 54.31 3fma n GLN 24 Cb 0.33 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.20 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 1.18 0.80 3.76 1.08 0.00 -0.88 -5.05 105.19 106.09 3fma n GLY 25 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.32 4.58 -0.26 1.61 0.74 -1.26 -4.74 119.66 120.01 3fma s GLN 26 Ca 0.00 1.72 -0.11 0.00 0.05 0.00 0.00 55.36 57.02 3fma s GLN 26 Cb 0.00 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.97 3fma s GLN 26 CO 0.00 0.19 0.21 0.42 -0.55 0.00 0.00 175.29 175.56 3fma s ILE 27 N -1.25 5.31 -0.06 -2.34 1.01 -1.26 -1.13 121.20 121.48 3fma s ILE 27 Ca 0.46 0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.38 3fma s ILE 27 Cb -0.30 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 3fma s ILE 27 CO 0.38 0.27 -0.15 -1.00 0.00 0.00 0.00 174.94 174.44 3fma s HIS 28 N 1.57 2.71 -1.78 3.97 3.76 0.05 -4.97 115.29 120.60 3fma s HIS 28 Ca 0.09 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 3fma s HIS 28 Cb -0.15 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 31.88 3fma s HIS 28 CO 0.09 0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.50 3fma n GLY 29 N 2.52 0.60 3.74 -2.22 0.00 -1.26 -1.84 105.19 106.73 3fma n GLY 29 Ca -0.17 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.28 3fma n GLY 29 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fma s PRO 30 N -0.71 4.27 0.04 1.61 0.02 -1.26 -5.05 135.00 133.93 3fma s PRO 30 Ca 0.00 2.28 0.07 0.00 0.02 0.00 0.00 61.00 63.37 3fma s PRO 30 Cb 0.00 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 3fma s PRO 30 CO 0.00 -0.43 -0.17 -0.06 -0.33 0.00 0.00 177.00 176.01 3fma s PHE 31 N 0.22 2.58 0.71 6.54 0.08 0.50 -4.82 117.98 123.79 3fma s PHE 31 Ca 0.61 -0.24 -0.14 0.00 0.12 0.00 0.00 56.93 57.28 3fma s PHE 31 Cb -0.41 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 3fma s PHE 31 CO 0.41 0.26 1.12 0.95 -0.10 0.00 0.00 175.22 177.86 3fma s THR 32 N -0.93 3.04 0.26 0.64 -4.23 -1.26 -0.04 115.64 113.13 3fma s THR 32 Ca 0.15 0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 61.09 3fma s THR 32 Cb -0.11 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 71.06 3fma s THR 32 CO 0.05 -0.34 1.68 0.74 -0.54 0.00 0.00 174.62 176.22 3fma h THR 33 N -0.37 0.48 0.00 3.99 2.02 -1.65 -3.42 112.91 113.95 3fma h THR 33 Ca -0.46 -0.10 -0.38 0.00 0.77 0.00 0.00 66.41 66.23 3fma h THR 33 Cb 1.25 0.15 0.10 0.00 -1.74 0.00 0.00 68.15 67.91 3fma h THR 33 CO 0.52 0.05 1.15 1.67 0.37 0.00 0.00 175.52 179.29 3fma n GLN 34 N -5.14 0.00 0.00 6.66 7.27 -1.26 -4.58 117.38 120.33 3fma n GLN 34 Ca 0.17 -0.76 0.00 0.00 0.07 0.00 0.00 57.00 56.49 3fma n GLN 34 Cb 0.54 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 31.00 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 7.35 0.00 -0.29 1.69 2.88 -1.26 -4.70 113.62 119.29 3fma n SER 37 Ca 0.30 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.86 3fma n SER 37 Cb 0.30 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.81 -0.45 -1.46 4.20 -1.96 -0.03 115.11 116.21 3fma h GLN 38 Ca 0.00 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 3fma h GLN 38 Cb 0.00 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3fma h GLN 38 CO 0.00 0.53 -0.24 -1.49 -0.67 0.00 0.00 178.83 176.96 3fma h TRP 39 N 0.83 1.08 0.13 2.96 6.55 -1.95 -1.71 115.95 123.85 3fma h TRP 39 Ca 0.38 -0.27 -0.01 0.00 0.95 0.00 0.00 58.89 59.95 3fma h TRP 39 Cb 0.28 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.33 3fma h TRP 39 CO -0.05 1.07 -0.07 -0.92 -1.05 0.00 0.00 178.44 177.42 3fma h TYR 40 N 0.81 -0.18 -0.67 0.49 5.03 -1.88 -2.23 116.97 118.33 3fma h TYR 40 Ca 0.10 -0.00 0.13 0.00 2.58 0.00 0.00 58.73 61.54 3fma h TYR 40 Cb 0.81 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 39.11 3fma h TYR 40 CO 0.05 -0.11 0.45 0.82 -1.32 0.00 0.00 178.16 178.05 3fma h ILE 41 N -0.19 0.83 -0.04 1.81 2.04 -0.89 0.27 117.51 121.34 3fma h ILE 41 Ca -0.02 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3fma h ILE 41 Cb 0.15 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3fma h ILE 41 CO 0.02 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.85 3fma n GLY 42 N -1.53 -0.64 2.39 5.37 0.00 -0.65 -4.93 105.19 105.19 3fma n GLY 42 Ca 0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 0.92 0.86 0.00 -0.02 0.00 0.94 -4.93 105.19 102.96 3fma n GLY 43 Ca 0.16 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.61 0.00 -3.85 1.61 4.02 -0.86 -4.75 117.16 110.72 3fma n TYR 44 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.47 3fma n TYR 44 Cb 0.32 -0.35 -0.13 0.00 -0.02 0.00 0.00 39.34 39.15 3fma n TYR 44 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3fma s PHE 45 N -2.71 3.02 0.44 -0.72 0.08 -1.26 -5.03 117.98 111.80 3fma s PHE 45 Ca 0.19 -0.82 -0.23 0.00 0.12 0.00 0.00 56.93 56.19 3fma s PHE 45 Cb 0.15 -2.16 -0.08 0.00 -0.57 0.00 0.00 43.02 40.37 3fma s PHE 45 CO 0.37 -0.50 1.12 0.00 -0.10 0.00 0.00 175.22 176.11 3fma s ALA 46 N 1.51 3.00 0.59 5.36 0.00 -1.26 -4.94 121.76 126.02 3fma s ALA 46 Ca 0.05 0.84 0.29 0.00 0.00 0.00 0.00 51.96 53.15 3fma s ALA 46 Cb -0.15 -3.34 1.70 0.00 0.00 0.00 0.00 23.12 21.33 3fma s ALA 46 CO -0.01 -0.50 2.12 0.66 0.00 0.00 0.00 175.76 178.03 3fma h SER 47 N 2.14 0.00 1.38 0.00 4.64 -1.99 -2.10 113.55 117.62 3fma h SER 47 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 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 0.61 0.00 -0.07 0.35 -0.87 0.00 0.00 176.83 176.85 3fma n THR 48 N -3.78 0.53 -1.68 2.95 -2.24 -1.26 -0.35 114.28 108.46 3fma n THR 48 Ca 0.01 -0.26 -0.46 0.00 -2.27 0.00 0.00 64.05 61.07 3fma n THR 48 Cb 0.29 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 3fma n THR 48 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3fma n LEU 49 N -2.19 3.57 -4.69 3.22 7.94 -0.79 -4.60 117.00 119.46 3fma n LEU 49 Ca 0.05 1.00 -0.42 0.00 -1.11 0.00 0.00 56.01 55.53 3fma n LEU 49 Cb 0.42 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 42.90 3fma n LEU 49 CO 0.31 -0.04 0.89 -1.10 -1.11 0.00 0.00 177.39 176.34 3fma s GLN 50 N 2.90 4.38 0.25 1.96 -0.21 -1.26 -0.84 119.66 126.84 3fma s GLN 50 Ca 0.86 1.57 0.07 0.00 0.02 0.00 0.00 55.36 57.88 3fma s GLN 50 Cb -0.61 -3.54 -0.05 0.00 1.00 0.00 0.00 33.01 29.80 3fma s GLN 50 CO 0.43 -0.39 -0.10 0.96 -2.12 0.00 0.00 175.29 174.08 3fma s ILE 51 N 2.07 1.71 -0.16 1.08 -5.25 0.10 -1.43 121.20 119.32 3fma s ILE 51 Ca 0.53 -2.17 -0.10 0.00 -0.99 0.00 0.00 60.65 57.92 3fma s ILE 51 Cb -0.23 -2.28 0.05 0.00 2.95 0.00 0.00 42.46 42.96 3fma s ILE 51 CO 0.21 -0.42 0.40 -0.55 -1.79 0.00 0.00 174.94 172.78 3fma s SER 52 N -3.39 -0.48 -0.31 4.36 0.15 0.30 -1.59 113.70 112.74 3fma s SER 52 Ca 0.27 0.85 -0.18 0.00 0.70 0.00 0.00 55.95 57.59 3fma s SER 52 Cb 0.02 0.76 -0.01 0.00 -1.71 0.00 0.00 66.02 65.07 3fma s SER 52 CO 0.10 -0.18 0.54 -0.60 1.20 0.00 0.00 173.24 174.29 3fma s ARG 53 N 1.16 3.86 0.15 5.44 3.00 -1.26 -0.88 118.95 130.43 3fma s ARG 53 Ca -0.08 0.12 -0.31 0.00 -1.00 0.00 0.00 55.73 54.46 3fma s ARG 53 Cb -0.07 -3.73 -0.10 0.00 0.00 0.00 0.00 34.95 31.05 3fma s ARG 53 CO -0.10 -0.51 1.55 -0.51 0.00 0.00 0.00 175.30 175.73 3fma s LEU 54 N 2.41 4.37 -0.41 -0.88 1.02 -0.84 -0.76 118.68 123.58 3fma s LEU 54 Ca 0.21 2.58 -0.04 0.00 0.02 0.00 0.00 54.13 56.90 3fma s LEU 54 Cb -0.15 -3.59 -0.10 0.00 0.02 0.00 0.00 46.19 42.37 3fma s LEU 54 CO 0.11 -0.81 2.10 0.61 0.02 0.00 0.00 176.35 178.38 3fma n GLY 55 N 3.74 2.52 0.25 -3.19 0.00 -1.26 -4.53 105.19 102.71 3fma n GLY 55 Ca 0.14 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.58 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 5.38 0.00 -5.28 1.61 4.64 -1.95 -3.46 113.55 114.49 3fma h SER 56 Ca 0.28 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.47 3fma h SER 56 Cb 0.49 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.43 3fma h SER 56 CO 0.87 0.08 -0.55 0.42 -0.87 0.00 0.00 176.83 176.78 3fma s THR 57 N -3.54 0.15 0.71 2.95 -4.23 -1.26 -5.14 115.64 105.27 3fma s THR 57 Ca 0.02 -1.65 -0.16 0.00 -1.18 0.00 0.00 61.69 58.73 3fma s THR 57 Cb 0.08 -1.68 0.03 0.00 1.34 0.00 0.00 72.50 72.27 3fma s THR 57 CO 0.60 -0.67 1.25 -2.84 -0.54 0.00 0.00 174.62 172.42 3fma s PRO 58 N -3.95 2.21 0.03 3.99 0.02 -1.26 -5.00 135.00 131.04 3fma s PRO 58 Ca 0.13 1.91 -0.17 0.00 0.02 0.00 0.00 61.00 62.89 3fma s PRO 58 Cb 0.06 -1.82 0.03 0.00 0.02 0.00 0.00 34.50 32.79 3fma s PRO 58 CO -0.05 -1.82 0.39 -1.83 -0.33 0.00 0.00 177.00 173.36 3fma s GLU 59 N -3.70 0.87 0.00 5.54 4.04 -1.26 -5.09 118.70 119.10 3fma s GLU 59 Ca 0.78 -0.33 0.25 0.00 0.04 0.00 0.00 54.97 55.70 3fma s GLU 59 Cb -0.33 0.39 0.44 0.00 0.02 0.00 0.00 34.13 34.65 3fma s GLU 59 CO 0.44 -0.29 1.37 0.25 -1.84 0.00 0.00 175.26 175.19 3fma n THR 60 N 0.65 0.00 0.07 1.83 -2.24 -1.26 -4.23 114.28 109.09 3fma n THR 60 Ca -0.19 -0.09 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 3fma n THR 60 Cb 0.59 0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.86 0.00 -1.67 3.22 5.85 -2.00 -3.48 115.31 118.08 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 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3fma h LEU 61 CO 0.00 0.96 0.00 0.61 -0.34 0.00 0.00 178.44 179.67 3fma n GLY 62 N 1.32 0.52 0.00 3.75 0.00 -1.26 -5.04 105.19 104.49 3fma n GLY 62 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.84 0.00 -1.61 -0.61 -5.35 -1.26 -5.04 119.36 104.66 3fma n ILE 63 Ca 0.00 -0.36 -0.58 0.00 -0.27 0.00 0.00 62.75 61.54 3fma n ILE 63 Cb 0.39 1.13 -0.07 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.38 1.19 -1.35 7.28 3.02 -1.26 -2.24 115.26 121.51 3fma n ASN 64 Ca 0.00 1.14 -0.18 0.00 -0.03 0.00 0.00 54.58 55.51 3fma n ASN 64 Cb 0.03 -1.05 -0.08 0.00 -0.61 0.00 0.00 39.78 38.08 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 2.94 -5.51 -4.81 6.41 8.00 0.06 -4.86 116.55 118.78 3fma n ASP 65 Ca 0.22 0.44 -0.23 0.00 0.71 0.00 0.00 54.79 55.93 3fma n ASP 65 Cb 0.11 -4.55 -0.05 0.00 -0.02 0.00 0.00 41.12 36.60 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 -2.52 4.45 -0.31 0.53 -4.36 -0.95 -5.00 121.20 113.03 3fma s ILE 66 Ca 0.00 -1.31 -0.10 0.00 -0.26 0.00 0.00 60.65 58.98 3fma s ILE 66 Cb 0.00 -3.36 -0.01 0.00 1.25 0.00 0.00 42.46 40.34 3fma s ILE 66 CO 0.00 -0.27 0.17 -0.36 0.24 0.00 0.00 174.94 174.71 3fma s PHE 67 N -2.01 3.19 0.16 1.37 0.08 -1.26 -4.16 117.98 115.34 3fma s PHE 67 Ca 0.32 -0.49 0.07 0.00 0.12 0.00 0.00 56.93 56.96 3fma s PHE 67 Cb -0.09 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 3fma s PHE 67 CO 0.24 -0.43 -0.15 0.96 -0.10 0.00 0.00 175.22 175.75 3fma s ILE 68 N 1.64 1.55 0.64 0.64 -4.36 -0.62 -4.90 121.20 115.79 3fma s ILE 68 Ca 0.05 -1.93 -0.15 0.00 -0.26 0.00 0.00 60.65 58.36 3fma s ILE 68 Cb -0.17 -1.78 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 3fma s ILE 68 CO 0.07 -0.47 1.08 0.42 0.24 0.00 0.00 174.94 176.28 3fma s THR 69 N -2.45 3.56 0.28 8.37 -4.23 -1.26 0.01 115.64 119.92 3fma s THR 69 Ca 0.15 0.70 0.01 0.00 -1.18 0.00 0.00 61.69 61.36 3fma s THR 69 Cb -0.03 -3.24 0.26 0.00 1.34 0.00 0.00 72.50 70.84 3fma s THR 69 CO 0.05 -0.48 1.80 0.25 -0.54 0.00 0.00 174.62 175.70 3fma h LEU 70 N 0.06 0.76 -0.31 4.79 5.85 -0.32 -0.99 115.31 125.15 3fma h LEU 70 Ca -0.46 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3fma h LEU 70 Cb 1.23 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3fma h LEU 70 CO 0.56 0.36 0.17 1.23 -0.34 0.00 0.00 178.44 180.42 3fma h GLY 71 N 0.82 0.42 1.36 3.75 0.00 -1.00 -2.83 103.07 105.60 3fma h GLY 71 Ca 0.49 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 3fma h GLY 71 CO -0.31 0.11 0.03 0.83 0.00 0.00 0.00 176.54 177.20 3fma h GLU 72 N 0.35 0.79 0.00 4.80 5.08 -1.56 -1.57 114.58 122.47 3fma h GLU 72 Ca 0.12 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3fma h GLU 72 Cb 0.02 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3fma h GLU 72 CO -0.07 0.78 0.00 -0.11 -1.00 0.00 0.00 179.01 178.61 3fma n LEU 73 N -4.23 0.00 0.00 1.33 7.94 -0.47 -0.88 117.00 120.69 3fma n LEU 73 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3fma n LEU 73 Cb 0.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 3fma n LEU 73 CO 0.41 0.00 0.00 0.41 -1.11 0.00 0.00 177.39 177.10 3fma n THR 75 N 0.31 0.00 -0.07 1.96 -1.04 -0.59 -1.47 114.28 113.37 3fma n THR 75 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3fma n THR 75 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.30 -0.28 -2.82 1.79 -1.28 0.97 116.57 115.25 3fma h LYS 76 Ca 0.00 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 3fma h LYS 76 Cb 0.00 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 3fma h LYS 76 CO 0.00 0.20 0.03 -0.07 -1.08 0.00 0.00 179.45 178.53 3fma h LEU 77 N 0.31 -0.03 0.26 2.94 3.38 -1.52 -1.85 115.31 118.81 3fma h LEU 77 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3fma h LEU 77 Cb 0.01 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3fma h LEU 77 CO -0.06 0.02 -0.13 -0.33 0.09 0.00 0.00 178.44 178.03 3fma h GLU 78 N 0.13 -0.34 -0.05 1.13 5.08 -1.80 -3.23 114.58 115.51 3fma h GLU 78 Ca 0.13 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3fma h GLU 78 Cb 0.15 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3fma h GLU 78 CO -0.19 -0.09 0.04 0.87 -1.00 0.00 0.00 179.01 178.64 3fma h LYS 79 N -0.56 0.00 -0.30 2.33 1.57 -0.74 -1.17 116.57 117.70 3fma h LYS 79 Ca -0.04 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3fma h LYS 79 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3fma h LYS 79 CO 0.06 0.00 0.20 -0.92 -0.57 0.00 0.00 179.45 178.22 3fma h TYR 80 N 0.00 0.30 -5.78 -1.35 3.20 -1.34 -3.47 116.97 108.53 3fma h TYR 80 Ca 0.02 0.01 -0.35 0.00 3.14 0.00 0.00 58.73 61.55 3fma h TYR 80 Cb 0.11 -0.10 0.14 0.00 1.54 0.00 0.00 36.73 38.41 3fma h TYR 80 CO 0.00 0.18 -0.82 -3.47 -1.64 0.00 0.00 178.16 172.41 3fma n ASP 81 N -4.49 -3.15 -4.71 -2.11 2.03 -0.44 -4.96 116.55 98.71 3fma n ASP 81 Ca 0.02 -0.73 -0.43 0.00 0.52 0.00 0.00 54.79 54.17 3fma n ASP 81 Cb 0.13 -4.69 -0.02 0.00 -0.72 0.00 0.00 41.12 35.82 3fma n ASP 81 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3fma n THR 82 N -3.96 0.95 -1.76 5.18 -1.04 -1.26 -4.92 114.28 107.48 3fma n THR 82 Ca -0.22 -0.24 -0.39 0.00 -2.04 0.00 0.00 64.05 61.16 3fma n THR 82 Cb 0.65 -1.76 0.04 0.00 -1.82 0.00 0.00 70.33 67.45 3fma n THR 82 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3fma s ASP 83 N 0.44 5.27 0.57 8.00 -4.77 -1.26 -4.82 116.67 120.09 3fma s ASP 83 Ca 0.66 2.81 0.28 0.00 -3.30 0.00 0.00 52.55 53.00 3fma s ASP 83 Cb -0.56 -2.64 1.70 0.00 -1.09 0.00 0.00 42.92 40.33 3fma s ASP 83 CO 0.48 -1.58 2.21 1.55 0.70 0.00 0.00 175.17 178.54 3fma h PRO 84 N 1.50 0.00 0.04 2.11 0.13 -1.99 -1.59 132.00 132.20 3fma h PRO 84 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3fma h PRO 84 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3fma h PRO 84 CO 0.57 0.03 -0.02 0.74 -0.23 0.00 0.00 178.00 179.09 3fma h PHE 85 N 0.00 -0.05 -0.27 1.56 0.04 -1.99 -1.35 116.94 114.88 3fma h PHE 85 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fma h PHE 85 Cb 0.07 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3fma h PHE 85 CO 0.00 0.54 0.17 1.15 -0.60 0.00 0.00 178.31 179.57 3fma h THR 86 N -0.68 1.09 -0.28 -1.55 2.02 -1.92 -1.73 112.91 109.86 3fma h THR 86 Ca -0.01 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 67.06 3fma h THR 86 Cb 0.61 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 3fma h THR 86 CO 0.01 0.08 -0.21 0.74 0.37 0.00 0.00 175.52 176.51 3fma h THR 87 N 0.36 0.43 -0.27 3.16 2.02 -1.31 0.21 112.91 117.50 3fma h THR 87 Ca 0.10 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.32 3fma h THR 87 Cb -0.01 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 3fma h THR 87 CO -0.02 0.00 0.04 0.15 0.37 0.00 0.00 175.52 176.06 3fma h PHE 88 N -0.20 0.07 -0.74 3.16 3.57 -1.06 -0.24 116.94 121.50 3fma h PHE 88 Ca 0.15 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3fma h PHE 88 Cb 0.43 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3fma h PHE 88 CO -0.39 0.01 0.28 -0.44 -2.23 0.00 0.00 178.31 175.55 3fma h ASP 89 N 0.14 1.03 0.62 0.41 5.19 -0.68 0.53 116.42 123.65 3fma h ASP 89 Ca 0.13 -0.16 -0.16 0.00 -0.62 0.00 0.00 57.03 56.22 3fma h ASP 89 Cb 0.14 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 3fma h ASP 89 CO -0.17 0.92 -0.73 0.11 -3.12 0.00 0.00 179.24 176.25 3fma h LYS 90 N 1.08 0.09 0.00 3.56 1.79 -0.12 -3.35 116.57 119.62 3fma h LYS 90 Ca 0.25 -0.08 -0.35 0.00 -2.18 0.00 0.00 60.65 58.30 3fma h LYS 90 Cb 0.22 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.83 3fma h LYS 90 CO -0.02 0.77 -2.31 1.28 -1.08 0.00 0.00 179.45 178.09 3fma n LEU 91 N -3.72 1.40 -0.01 2.94 4.77 -0.14 -4.83 117.00 117.40 3fma n LEU 91 Ca -0.02 -0.06 0.02 0.00 -0.03 0.00 0.00 56.01 55.93 3fma n LEU 91 Cb 0.70 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 3fma n LEU 91 CO 0.44 0.67 -0.61 1.41 -1.33 0.00 0.00 177.39 177.97 3fma n HIS 92 N -2.92 0.00 -2.30 -1.77 8.25 0.17 -4.99 115.22 111.65 3fma n HIS 92 Ca -0.36 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.68 3fma n HIS 92 Cb 1.03 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.92 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 -2.43 3.97 0.17 1.59 1.01 -1.19 -5.03 120.40 118.50 3fma s VAL 93 Ca -0.03 1.27 0.03 0.00 0.00 0.00 0.00 61.98 63.26 3fma s VAL 93 Cb 0.04 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3fma s VAL 93 CO 0.29 -0.05 0.28 -1.10 0.00 0.00 0.00 175.10 174.52 3fma s GLN 94 N 2.92 3.35 1.19 2.72 -0.21 -1.26 -4.99 119.66 123.38 3fma s GLN 94 Ca 0.61 -0.68 -0.17 0.00 0.02 0.00 0.00 55.36 55.14 3fma s GLN 94 Cb -0.27 -2.89 0.28 0.00 1.00 0.00 0.00 33.01 31.12 3fma s GLN 94 CO 0.22 0.49 1.05 0.95 -2.12 0.00 0.00 175.29 175.89 3fma s THR 95 N -1.81 1.72 -2.00 -0.19 -4.23 -1.26 -5.25 115.64 102.62 3fma s THR 95 Ca 0.34 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.06 3fma s THR 95 Cb -0.10 -2.33 0.60 0.00 1.34 0.00 0.00 72.50 72.01 3fma s THR 95 CO 0.28 0.00 1.65 0.35 -0.54 0.00 0.00 174.62 176.35