#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1boc n LYS 1 N 0.00 1.87 -0.91 3.17 0.00 -0.92 -3.66 118.16 117.71 1boc n LYS 1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1boc n LYS 1 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1boc n LYS 1 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1boc n SER 2 N 0.00 0.71 -3.31 -5.58 3.41 -1.26 -4.03 113.62 103.55 1boc n SER 2 Ca 0.00 -0.67 -0.28 0.00 -0.26 0.00 0.00 58.87 57.66 1boc n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1boc n SER 2 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1boc n PRO 3 N -0.43 1.88 -2.68 4.33 -0.04 -1.26 -4.21 135.00 132.58 1boc n PRO 3 Ca 0.00 -1.57 -0.08 0.00 -0.04 0.00 0.00 63.50 61.81 1boc n PRO 3 Cb 0.00 -2.59 0.04 0.00 -0.04 0.00 0.00 33.50 30.91 1boc n PRO 3 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1boc n GLU 4 N 5.09 -3.07 -0.02 0.54 1.02 -1.26 -4.95 120.64 117.99 1boc n GLU 4 Ca 0.45 0.43 0.05 0.00 -0.02 0.00 0.00 57.16 58.06 1boc n GLU 4 Cb 0.21 -4.13 -0.10 0.00 -0.02 0.00 0.00 31.44 27.40 1boc n GLU 4 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1boc n GLU 5 N -2.55 0.68 -0.29 3.49 4.07 -1.26 -4.42 120.64 120.36 1boc n GLU 5 Ca -0.13 -0.10 -0.06 0.00 -0.06 0.00 0.00 57.16 56.81 1boc n GLU 5 Cb 0.58 -1.32 0.06 0.00 -0.06 0.00 0.00 31.44 30.70 1boc n GLU 5 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1boc h LEU 6 N 0.00 1.05 -1.73 4.31 6.46 -1.92 -0.74 115.31 122.73 1boc h LEU 6 Ca -0.06 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.60 1boc h LEU 6 Cb 0.82 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1boc h LEU 6 CO 0.00 0.91 0.47 0.50 -0.62 0.00 0.00 178.44 179.70 1boc h LYS 7 N 1.12 0.00 -0.07 1.25 3.64 -1.99 0.70 116.57 121.22 1boc h LYS 7 Ca 0.27 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1boc h LYS 7 Cb 0.16 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1boc h LYS 7 CO -0.03 0.00 -0.00 0.78 -2.27 0.00 0.00 179.45 177.93 1boc h GLY 8 N 0.00 0.14 0.80 5.01 0.00 -1.39 -3.15 103.07 104.47 1boc h GLY 8 Ca 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.31 1boc h GLY 8 CO -0.00 0.09 -0.14 1.19 0.00 0.00 0.00 176.54 177.69 1boc h ILE 9 N -0.17 0.69 0.00 2.60 6.09 -0.97 -2.68 117.51 123.07 1boc h ILE 9 Ca 0.02 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.51 1boc h ILE 9 Cb 0.35 0.69 0.00 0.00 0.47 0.00 0.00 36.82 38.33 1boc h ILE 9 CO 0.00 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.57 1boc n PHE 10 N -5.26 0.00 0.05 2.19 3.01 -1.18 -0.53 117.46 115.74 1boc n PHE 10 Ca -0.07 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.40 1boc n PHE 10 Cb 0.18 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.72 1boc n PHE 10 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1boc n GLU 11 N -0.73 0.02 -0.06 -1.08 0.28 -0.74 0.14 120.64 118.47 1boc n GLU 11 Ca 0.00 0.30 -0.03 0.00 -0.16 0.00 0.00 57.16 57.27 1boc n GLU 11 Cb 0.00 -1.93 -0.02 0.00 1.43 0.00 0.00 31.44 30.93 1boc n GLU 11 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1boc h LYS 12 N 0.00 0.00 0.00 3.44 1.63 -0.45 -3.34 116.57 117.85 1boc h LYS 12 Ca 0.00 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.48 1boc h LYS 12 Cb 0.73 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.30 1boc h LYS 12 CO 0.00 0.09 -2.21 0.66 -3.45 0.00 0.00 179.45 174.54 1boc n TYR 13 N -4.71 0.00 0.31 1.91 4.02 -0.42 -4.07 117.16 114.19 1boc n TYR 13 Ca -0.04 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 58.05 1boc n TYR 13 Cb 0.13 -0.85 1.02 0.00 -0.02 0.00 0.00 39.34 39.61 1boc n TYR 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1boc h ALA 14 N 0.66 1.00 0.00 -0.72 0.00 0.12 -0.47 119.26 119.85 1boc h ALA 14 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1boc h ALA 14 Cb 2.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1boc h ALA 14 CO 0.00 0.00 -1.05 -0.40 0.00 0.00 0.00 179.25 177.81 1boc n ASP 15 N -2.94 0.70 -0.14 0.00 5.75 -1.15 0.89 116.55 119.66 1boc n ASP 15 Ca -0.02 0.17 0.07 0.00 -0.01 0.00 0.00 54.79 55.00 1boc n ASP 15 Cb 0.11 0.61 0.38 0.00 -1.03 0.00 0.00 41.12 41.20 1boc n ASP 15 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 1boc h LYS 16 N 0.00 0.67 0.00 0.11 2.10 -1.22 0.11 116.57 118.33 1boc h LYS 16 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1boc h LYS 16 Cb 0.91 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 1boc h LYS 16 CO 0.00 0.44 0.00 1.05 -2.00 0.00 0.00 179.45 178.94 1boc h GLU 17 N 0.69 0.00 0.00 0.07 4.11 -1.70 -3.46 114.58 114.28 1boc h GLU 17 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 1boc h GLU 17 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1boc h GLU 17 CO -0.09 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.40 1boc n GLY 18 N 1.04 0.27 0.00 1.06 0.00 0.35 -5.07 105.19 102.85 1boc n GLY 18 Ca 0.04 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1boc n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1boc n ASP 19 N 0.00 0.00 0.00 1.61 -0.08 -1.13 -4.98 116.55 111.97 1boc n ASP 19 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1boc n ASP 19 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1boc n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1boc n GLY 20 N 0.00 1.35 1.13 0.27 0.00 0.26 -4.33 105.19 103.87 1boc n GLY 20 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1boc n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1boc n ASN 21 N 0.00 3.38 -3.75 1.61 3.02 -1.26 -1.79 115.26 116.47 1boc n ASN 21 Ca 0.00 -1.98 -0.14 0.00 -0.03 0.00 0.00 54.58 52.44 1boc n ASN 21 Cb 0.00 -0.26 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 1boc n ASN 21 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1boc s GLN 22 N -1.49 0.67 0.06 3.52 1.11 -1.26 -3.44 119.66 118.83 1boc s GLN 22 Ca 0.39 -0.13 0.00 0.00 0.01 0.00 0.00 55.36 55.63 1boc s GLN 22 Cb 0.23 0.30 0.00 0.00 -1.01 0.00 0.00 33.01 32.53 1boc s GLN 22 CO 0.31 -0.18 0.02 1.28 0.01 0.00 0.00 175.29 176.73 1boc n LEU 23 N 1.35 0.00 -3.54 2.90 4.77 -1.21 -4.18 117.00 117.09 1boc n LEU 23 Ca -0.21 -0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 55.29 1boc n LEU 23 Cb 0.56 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1boc n LEU 23 CO 0.22 -0.14 0.29 -0.44 -1.33 0.00 0.00 177.39 175.99 1boc s SER 24 N -1.36 -0.40 0.37 -1.43 0.01 -1.26 -0.96 113.70 108.67 1boc s SER 24 Ca 0.01 -0.18 0.27 0.00 1.31 0.00 0.00 55.95 57.37 1boc s SER 24 Cb -0.00 0.55 1.21 0.00 0.21 0.00 0.00 66.02 67.98 1boc s SER 24 CO 0.01 -0.93 1.82 0.50 0.41 0.00 0.00 173.24 175.05 1boc h LYS 25 N 2.17 0.00 -0.03 12.44 3.64 -1.94 -1.44 116.57 131.42 1boc h LYS 25 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1boc h LYS 25 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1boc h LYS 25 CO 0.42 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.99 1boc n GLU 26 N -2.52 1.08 -0.63 1.90 -0.58 -1.26 -3.59 120.64 115.04 1boc n GLU 26 Ca 0.01 -0.13 -0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1boc n GLU 26 Cb 0.21 -1.17 -0.01 0.00 -0.57 0.00 0.00 31.44 29.91 1boc n GLU 26 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1boc n GLU 27 N -0.53 0.00 -0.08 3.49 0.28 -0.56 -4.86 120.64 118.38 1boc n GLU 27 Ca 0.08 -0.62 -0.21 0.00 -0.16 0.00 0.00 57.16 56.25 1boc n GLU 27 Cb 0.06 -0.13 -0.12 0.00 1.43 0.00 0.00 31.44 32.68 1boc n GLU 27 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1boc n LEU 28 N 0.04 2.59 0.04 -1.84 7.94 -1.06 -3.87 117.00 120.84 1boc n LEU 28 Ca -0.02 0.12 -0.10 0.00 -1.11 0.00 0.00 56.01 54.89 1boc n LEU 28 Cb 0.64 -0.98 -0.04 0.00 0.53 0.00 0.00 43.42 43.57 1boc n LEU 28 CO -0.02 0.78 0.74 0.50 -1.11 0.00 0.00 177.39 178.29 1boc h LYS 29 N -0.22 -0.26 -0.70 1.96 3.64 -1.88 0.51 116.57 119.63 1boc h LYS 29 Ca -0.51 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.09 1boc h LYS 29 Cb 1.84 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.70 1boc h LYS 29 CO -0.08 -0.17 0.50 -0.07 -2.27 0.00 0.00 179.45 177.36 1boc h LEU 30 N -0.27 0.00 0.19 5.20 4.07 -1.89 -2.08 115.31 120.53 1boc h LEU 30 Ca 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1boc h LEU 30 Cb 0.36 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1boc h LEU 30 CO -0.20 0.00 -0.10 -0.07 -1.08 0.00 0.00 178.44 176.99 1boc h LEU 31 N 0.00 -0.24 -0.44 1.67 3.38 -1.01 0.83 115.31 119.51 1boc h LEU 31 Ca 0.33 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1boc h LEU 31 Cb 1.33 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.08 1boc h LEU 31 CO -0.00 -0.16 -0.38 -0.07 0.09 0.00 0.00 178.44 177.91 1boc h LEU 32 N -0.27 -1.33 -0.16 1.67 4.07 -1.17 -1.62 115.31 116.50 1boc h LEU 32 Ca -0.03 0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1boc h LEU 32 Cb 0.21 0.57 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1boc h LEU 32 CO 0.04 -0.22 0.00 0.00 -1.08 0.00 0.00 178.44 177.18 1boc n GLN 33 N -4.49 1.10 0.01 1.13 10.64 -0.88 0.17 117.38 125.05 1boc n GLN 33 Ca -0.01 -0.16 -0.21 0.00 -1.83 0.00 0.00 57.00 54.79 1boc n GLN 33 Cb 0.20 -1.27 -0.14 0.00 -0.86 0.00 0.00 30.24 28.18 1boc n GLN 33 CO 0.00 0.00 0.00 1.79 -1.83 0.00 0.00 177.06 177.02 1boc h THR 34 N 0.31 1.04 -0.00 -0.39 1.35 0.17 -3.30 112.91 112.09 1boc h THR 34 Ca 0.00 -2.40 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 1boc h THR 34 Cb 0.07 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1boc h THR 34 CO 0.00 0.70 -0.57 -0.62 -0.25 0.00 0.00 175.52 174.77 1boc n GLU 35 N -3.94 2.52 -3.02 4.72 -0.58 -1.17 -4.78 120.64 114.38 1boc n GLU 35 Ca -0.25 -0.11 -0.14 0.00 -0.42 0.00 0.00 57.16 56.24 1boc n GLU 35 Cb 0.89 -1.14 -0.03 0.00 -0.57 0.00 0.00 31.44 30.59 1boc n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1boc n PHE 36 N -1.13 -2.49 -0.43 -0.32 3.72 0.44 -5.03 117.46 112.21 1boc n PHE 36 Ca 0.03 -2.26 -0.00 0.00 -0.05 0.00 0.00 57.45 55.17 1boc n PHE 36 Cb 0.22 0.92 -0.00 0.00 -0.94 0.00 0.00 39.48 39.68 1boc n PHE 36 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1boc n PRO 37 N 2.66 0.00 -0.41 -1.08 -0.02 -1.21 -2.71 135.00 132.23 1boc n PRO 37 Ca 0.22 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.51 1boc n PRO 37 Cb 0.54 -0.43 -0.04 0.00 -0.02 0.00 0.00 33.50 33.55 1boc n PRO 37 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1boc n SER 38 N 1.94 0.25 0.00 2.55 3.41 -1.25 -4.70 113.62 115.82 1boc n SER 38 Ca 0.00 0.24 0.09 0.00 -0.26 0.00 0.00 58.87 58.94 1boc n SER 38 Cb 0.21 -0.28 0.53 0.00 -0.26 0.00 0.00 64.21 64.41 1boc n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1boc n LEU 39 N 2.14 0.00 0.00 1.04 7.99 -1.26 -4.39 117.00 122.52 1boc n LEU 39 Ca 0.16 0.01 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 1boc n LEU 39 Cb -0.01 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 1boc n LEU 39 CO 0.27 -0.00 0.00 0.18 -1.51 0.00 0.00 177.39 176.33 1boc n LEU 40 N -1.01 0.00 -3.10 2.23 4.77 -1.26 -4.73 117.00 113.90 1boc n LEU 40 Ca 0.13 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 1boc n LEU 40 Cb 0.06 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1boc n LEU 40 CO 0.10 0.00 -0.16 0.29 -1.33 0.00 0.00 177.39 176.29 1boc n LYS 41 N 0.00 -1.03 0.00 3.23 5.02 -1.26 -4.65 118.16 119.47 1boc n LYS 41 Ca 0.00 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1boc n LYS 41 Cb 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1boc n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1boc n GLY 42 N -0.90 2.07 1.17 0.72 0.00 -1.26 -5.09 105.19 101.90 1boc n GLY 42 Ca -0.16 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 44.91 1boc n GLY 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1boc n MET 43 N 1.54 -2.24 -2.63 1.61 2.81 -1.26 -4.94 117.12 112.00 1boc n MET 43 Ca 0.00 1.73 -0.03 0.00 -1.81 0.00 0.00 57.70 57.59 1boc n MET 43 Cb 0.00 -2.82 0.00 0.00 -0.71 0.00 0.00 33.22 29.70 1boc n MET 43 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1boc n SER 44 N -4.16 -7.32 -4.47 7.83 3.41 -1.26 -4.82 113.62 102.82 1boc n SER 44 Ca -0.04 0.92 -0.43 0.00 -0.26 0.00 0.00 58.87 59.05 1boc n SER 44 Cb 0.58 -4.88 -0.06 0.00 -0.26 0.00 0.00 64.21 59.60 1boc n SER 44 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1boc s THR 45 N -1.89 4.74 -2.22 6.66 -4.23 -1.26 -4.81 115.64 112.63 1boc s THR 45 Ca 0.10 -0.23 0.25 0.00 -1.18 0.00 0.00 61.69 60.63 1boc s THR 45 Cb -0.03 -4.35 0.22 0.00 1.34 0.00 0.00 72.50 69.67 1boc s THR 45 CO 0.69 -0.87 1.39 -0.11 -0.54 0.00 0.00 174.62 175.18 1boc n LEU 46 N 6.52 1.81 -0.03 4.79 7.94 -1.26 -3.82 117.00 132.96 1boc n LEU 46 Ca -0.04 -0.60 -0.10 0.00 -1.11 0.00 0.00 56.01 54.16 1boc n LEU 46 Cb 0.46 -0.04 -0.08 0.00 0.53 0.00 0.00 43.42 44.29 1boc n LEU 46 CO 0.57 0.32 0.32 0.44 -1.11 0.00 0.00 177.39 177.92 1boc h ASP 47 N 2.47 -0.05 0.53 1.96 5.19 -2.01 -3.07 116.42 121.44 1boc h ASP 47 Ca 0.00 -0.57 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 1boc h ASP 47 Cb 0.68 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.20 1boc h ASP 47 CO 0.00 0.69 0.00 1.21 -3.12 0.00 0.00 179.24 178.02 1boc n GLU 48 N -4.75 0.08 0.18 3.56 2.13 -1.26 -1.21 120.64 119.37 1boc n GLU 48 Ca -0.07 0.17 0.06 0.00 0.66 0.00 0.00 57.16 57.98 1boc n GLU 48 Cb 0.30 -1.50 0.20 0.00 0.27 0.00 0.00 31.44 30.71 1boc n GLU 48 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1boc h LEU 49 N 0.00 0.00 0.11 4.31 6.46 -1.65 -1.77 115.31 122.78 1boc h LEU 49 Ca 0.00 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.59 1boc h LEU 49 Cb 0.27 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1boc h LEU 49 CO 0.00 0.34 -0.78 0.15 -0.62 0.00 0.00 178.44 177.53 1boc h PHE 50 N 0.00 0.44 0.00 1.25 3.57 -1.07 -3.05 116.94 118.08 1boc h PHE 50 Ca -0.00 -0.32 -0.04 0.00 3.53 0.00 0.00 57.97 61.13 1boc h PHE 50 Cb 1.11 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1boc h PHE 50 CO 0.00 1.30 -0.20 1.49 -2.23 0.00 0.00 178.31 178.67 1boc h GLU 51 N -0.47 0.00 0.00 1.11 4.57 -1.51 -1.50 114.58 116.78 1boc h GLU 51 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1boc h GLU 51 Cb 1.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 1boc h GLU 51 CO 0.11 0.20 0.00 -1.91 -1.18 0.00 0.00 179.01 176.23 1boc n GLU 52 N -3.84 0.00 -0.17 1.92 2.13 -0.67 -2.81 120.64 117.20 1boc n GLU 52 Ca -0.02 0.36 0.29 0.00 0.66 0.00 0.00 57.16 58.46 1boc n GLU 52 Cb 0.30 -1.18 0.67 0.00 0.27 0.00 0.00 31.44 31.51 1boc n GLU 52 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 1boc h LEU 53 N 0.00 0.00-10.35 4.31 8.10 -1.57 -3.38 115.31 112.42 1boc h LEU 53 Ca 0.00 0.00 -0.46 0.00 0.11 0.00 0.00 57.88 57.53 1boc h LEU 53 Cb 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.24 1boc h LEU 53 CO 0.00 0.00 -0.14 -0.62 -4.11 0.00 0.00 178.44 173.57 1boc s ASP 54 N -4.68 5.88 0.00 0.17 2.15 -0.57 -4.81 116.67 114.81 1boc s ASP 54 Ca -0.04 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.15 1boc s ASP 54 Cb 0.18 -1.51 0.00 0.00 -0.30 0.00 0.00 42.92 41.30 1boc s ASP 54 CO 0.63 -0.64 0.39 2.29 -0.17 0.00 0.00 175.17 177.68 1boc n LYS 55 N -1.99 0.00 -0.06 4.34 2.85 -1.26 -4.78 118.16 117.26 1boc n LYS 55 Ca 0.01 -0.16 0.11 0.00 -1.05 0.00 0.00 58.31 57.22 1boc n LYS 55 Cb 0.58 0.13 0.13 0.00 -0.65 0.00 0.00 35.03 35.21 1boc n LYS 55 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1boc n ASN 56 N 0.00 3.02 -4.42 -5.58 2.04 -1.26 -4.95 115.26 104.11 1boc n ASN 56 Ca -0.04 -1.94 -0.38 0.00 -0.44 0.00 0.00 54.58 51.78 1boc n ASN 56 Cb 0.37 -0.08 -0.09 0.00 -2.53 0.00 0.00 39.78 37.45 1boc n ASN 56 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1boc n GLY 57 N 1.30 -0.28 0.06 4.83 0.00 -1.26 -4.73 105.19 105.10 1boc n GLY 57 Ca 0.15 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1boc n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1boc n ASP 58 N -2.58 0.73 0.00 1.61 -0.08 -1.26 -4.98 116.55 109.99 1boc n ASP 58 Ca -0.06 -0.86 0.00 0.00 -1.51 0.00 0.00 54.79 52.36 1boc n ASP 58 Cb 0.54 0.43 0.00 0.00 2.34 0.00 0.00 41.12 44.43 1boc n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1boc n GLY 59 N 0.53 2.71 3.59 0.27 0.00 -1.26 -5.00 105.19 106.03 1boc n GLY 59 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1boc n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1boc s GLU 60 N -0.37 2.15 0.00 1.61 2.12 -1.26 -2.94 118.70 120.01 1boc s GLU 60 Ca 0.00 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.24 1boc s GLU 60 Cb 0.00 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 32.11 1boc s GLU 60 CO 0.00 0.48 0.00 1.55 -0.54 0.00 0.00 175.26 176.75 1boc n VAL 61 N 0.45 0.00 -4.00 3.70 3.14 -0.14 -4.83 118.33 116.65 1boc n VAL 61 Ca -0.12 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.16 1boc n VAL 61 Cb 0.53 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.25 1boc n VAL 61 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1boc s SER 62 N 0.59 -0.02 0.29 6.55 1.04 -1.26 -3.33 113.70 117.56 1boc s SER 62 Ca 0.00 -0.95 0.23 0.00 0.48 0.00 0.00 55.95 55.71 1boc s SER 62 Cb 0.00 0.50 1.07 0.00 0.10 0.00 0.00 66.02 67.69 1boc s SER 62 CO 0.00 -1.01 1.71 0.33 0.98 0.00 0.00 173.24 175.26 1boc n PHE 63 N -0.31 0.82 0.10 5.02 7.35 -1.22 -0.53 117.46 128.70 1boc n PHE 63 Ca -0.03 0.36 -0.05 0.00 -0.76 0.00 0.00 57.45 56.97 1boc n PHE 63 Cb 0.63 -1.07 0.09 0.00 0.35 0.00 0.00 39.48 39.48 1boc n PHE 63 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1boc h GLU 64 N 0.00 0.12 0.00 -4.13 4.57 -1.94 -3.02 114.58 110.18 1boc h GLU 64 Ca 0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1boc h GLU 64 Cb 0.25 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1boc h GLU 64 CO 0.00 0.77 -1.19 0.39 -1.18 0.00 0.00 179.01 177.80 1boc n GLU 65 N -3.76 0.27 -0.00 1.92 -0.58 -0.69 -4.03 120.64 113.76 1boc n GLU 65 Ca -0.02 -0.04 0.04 0.00 -0.42 0.00 0.00 57.16 56.72 1boc n GLU 65 Cb 0.68 -1.48 0.25 0.00 -0.57 0.00 0.00 31.44 30.32 1boc n GLU 65 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1boc n PHE 66 N -1.65 0.01 0.09 -0.32 7.35 0.31 -3.44 117.46 119.81 1boc n PHE 66 Ca 0.02 -0.01 -0.23 0.00 -0.76 0.00 0.00 57.45 56.48 1boc n PHE 66 Cb 0.37 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.05 1boc n PHE 66 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1boc h GLN 67 N 0.07 0.42 -0.62 -4.13 1.08 -1.69 -2.24 115.11 108.00 1boc h GLN 67 Ca 0.00 -0.72 0.18 0.00 -1.45 0.00 0.00 58.65 56.66 1boc h GLN 67 Cb 0.02 0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1boc h GLN 67 CO 0.00 1.34 0.64 0.28 -0.95 0.00 0.00 178.83 180.14 1boc h VAL 68 N -0.05 0.31 0.03 -0.54 2.07 -1.85 1.19 116.25 117.41 1boc h VAL 68 Ca -0.25 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 66.97 1boc h VAL 68 Cb 1.98 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1boc h VAL 68 CO 0.20 0.00 -1.66 0.25 0.02 0.00 0.00 177.57 176.38 1boc h LEU 69 N 0.00 0.11 -1.10 2.57 7.12 -1.76 -3.32 115.31 118.94 1boc h LEU 69 Ca 0.30 -0.21 0.12 0.00 0.13 0.00 0.00 57.88 58.21 1boc h LEU 69 Cb 1.57 -0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 41.59 1boc h LEU 69 CO -0.00 1.19 0.61 1.62 -0.13 0.00 0.00 178.44 181.73 1boc h VAL 70 N 0.02 0.92 -0.01 1.05 3.04 0.20 0.74 116.25 122.21 1boc h VAL 70 Ca -0.28 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 1boc h VAL 70 Cb 1.99 -0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1boc h VAL 70 CO 0.10 0.17 0.01 2.29 -1.01 0.00 0.00 177.57 179.12 1boc n LYS 71 N -4.59 1.02 -0.16 4.17 2.85 -0.73 -2.16 118.16 118.57 1boc n LYS 71 Ca 0.18 -0.04 0.01 0.00 -1.05 0.00 0.00 58.31 57.40 1boc n LYS 71 Cb 0.36 -1.05 0.01 0.00 -0.65 0.00 0.00 35.03 33.70 1boc n LYS 71 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1boc n LYS 72 N 0.44 0.58 -0.06 -1.58 4.76 0.26 -4.33 118.16 118.23 1boc n LYS 72 Ca 0.01 -1.01 -0.13 0.00 -2.87 0.00 0.00 58.31 54.31 1boc n LYS 72 Cb 0.50 -0.68 -0.05 0.00 -1.84 0.00 0.00 35.03 32.97 1boc n LYS 72 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1boc n ILE 73 N -0.22 0.68 -0.35 -0.18 2.08 -1.11 -4.73 119.36 115.53 1boc n ILE 73 Ca 0.02 -0.18 0.06 0.00 0.56 0.00 0.00 62.75 63.21 1boc n ILE 73 Cb 0.54 -1.60 0.14 0.00 -0.75 0.00 0.00 39.64 37.97 1boc n ILE 73 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1boc h SER 74 N -0.41 -0.87 0.00 4.38 4.64 -1.70 -3.45 113.55 116.14 1boc h SER 74 Ca -0.31 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1boc h SER 74 Cb 1.29 0.59 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 1boc h SER 74 CO -0.18 -0.32 0.00 1.67 -0.87 0.00 0.00 176.83 177.13