#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 -2.89 -2.93 0.03 0.00 -0.09 -4.57 118.16 107.70 1boc n LYS 1 Ca 0.00 2.24 -0.17 0.00 0.00 0.00 0.00 58.31 60.38 1boc n LYS 1 Cb 0.00 -2.79 0.02 0.00 0.00 0.00 0.00 35.03 32.26 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 -2.21 2.02 0.28 3.14 3.41 -1.26 -3.65 113.62 115.34 1boc n SER 2 Ca 0.00 -2.29 0.10 0.00 -0.26 0.00 0.00 58.87 56.42 1boc n SER 2 Cb 0.32 -0.13 0.54 0.00 -0.26 0.00 0.00 64.21 64.68 1boc n SER 2 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1boc h PRO 3 N 0.00 0.00 0.00 4.33 0.11 -1.96 -3.39 132.00 131.09 1boc h PRO 3 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1boc h PRO 3 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1boc h PRO 3 CO 0.36 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.30 1boc n GLU 4 N -2.53 0.00 -0.02 1.05 0.28 -1.26 -5.09 120.64 113.07 1boc n GLU 4 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.97 1boc n GLU 4 Cb 0.46 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.30 1boc n GLU 4 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1boc n GLU 5 N 0.00 2.42 0.04 3.44 2.13 -1.26 -4.64 120.64 122.77 1boc n GLU 5 Ca 0.00 0.01 -0.07 0.00 0.66 0.00 0.00 57.16 57.76 1boc n GLU 5 Cb 0.00 -1.09 -0.12 0.00 0.27 0.00 0.00 31.44 30.50 1boc n GLU 5 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1boc h LEU 6 N 0.00 0.00 -0.03 4.31 7.12 -1.93 -3.23 115.31 121.55 1boc h LEU 6 Ca -0.10 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.91 1boc h LEU 6 Cb 1.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1boc h LEU 6 CO -0.00 0.97 0.00 1.17 -0.13 0.00 0.00 178.44 180.45 1boc n LYS 7 N -3.24 0.03 0.21 1.25 4.81 -1.26 -2.17 118.16 117.78 1boc n LYS 7 Ca -0.05 0.10 0.10 0.00 -0.87 0.00 0.00 58.31 57.59 1boc n LYS 7 Cb 0.97 -1.54 0.23 0.00 0.02 0.00 0.00 35.03 34.71 1boc n LYS 7 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1boc h GLY 8 N 4.16 0.00 0.08 3.14 0.00 -1.82 -3.16 103.07 105.47 1boc h GLY 8 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.55 1boc h GLY 8 CO 0.00 0.00 0.63 0.16 0.00 0.00 0.00 176.54 177.33 1boc h ILE 9 N 0.00 0.63 0.00 2.60 -0.00 -1.57 -3.13 117.51 116.03 1boc h ILE 9 Ca -0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.68 1boc h ILE 9 Cb 1.01 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 37.90 1boc h ILE 9 CO 0.02 0.09 0.00 0.49 -0.00 0.00 0.00 178.15 178.75 1boc n PHE 10 N -4.64 0.00 0.22 0.16 3.01 -1.20 0.16 117.46 115.18 1boc n PHE 10 Ca 0.23 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.71 1boc n PHE 10 Cb 0.73 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 40.34 1boc n PHE 10 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1boc h GLU 11 N 0.00 0.00 0.00 -1.08 5.08 -1.44 1.54 114.58 118.68 1boc h GLU 11 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1boc h GLU 11 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1boc h GLU 11 CO 0.00 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.18 1boc n LYS 12 N -2.11 0.00 0.01 2.33 3.00 0.12 -3.57 118.16 117.94 1boc n LYS 12 Ca -0.00 0.23 -0.18 0.00 -0.00 0.00 0.00 58.31 58.36 1boc n LYS 12 Cb 0.71 -0.68 -0.13 0.00 0.00 0.00 0.00 35.03 34.92 1boc n LYS 12 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1boc h TYR 13 N 0.00 0.43 0.00 5.64 -1.99 0.26 0.57 116.97 121.87 1boc h TYR 13 Ca 0.00 -0.28 -0.00 0.00 2.00 0.00 0.00 58.73 60.45 1boc h TYR 13 Cb 0.00 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.70 1boc h TYR 13 CO 0.00 1.15 -0.00 0.00 -0.00 0.00 0.00 178.16 179.31 1boc h ALA 14 N 0.16 1.05 -0.01 3.88 0.00 0.21 -1.84 119.26 122.71 1boc h ALA 14 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1boc h ALA 14 Cb 1.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1boc h ALA 14 CO 0.10 0.00 -0.27 -3.47 0.00 0.00 0.00 179.25 175.61 1boc n ASP 15 N -3.15 1.10 -0.14 0.00 -0.08 -0.56 0.16 116.55 113.88 1boc n ASP 15 Ca -0.03 -1.05 -0.05 0.00 -1.51 0.00 0.00 54.79 52.15 1boc n ASP 15 Cb 0.10 0.58 0.13 0.00 2.34 0.00 0.00 41.12 44.27 1boc n ASP 15 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1boc h LYS 16 N 0.95 0.87 0.00 -0.67 5.09 0.10 -2.09 116.57 120.82 1boc h LYS 16 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 60.65 60.50 1boc h LYS 16 Cb 0.34 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 32.57 1boc h LYS 16 CO 0.00 0.86 -0.87 -0.85 -2.09 0.00 0.00 179.45 176.50 1boc n GLU 17 N -4.21 0.23 0.00 0.07 0.28 -1.25 -5.04 120.64 110.72 1boc n GLU 17 Ca 0.03 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1boc n GLU 17 Cb 0.30 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.58 1boc n GLU 17 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1boc n GLY 18 N 1.39 3.89 6.74 -1.84 0.00 -0.79 -5.06 105.19 109.52 1boc n GLY 18 Ca 0.03 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 2.03 -1.26 -3.78 116.55 115.15 1boc n ASP 19 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1boc n ASP 19 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1boc n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1boc n GLY 20 N 0.00 0.60 0.00 0.27 0.00 0.42 -4.51 105.19 101.96 1boc n GLY 20 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.76 -4.19 1.61 5.03 -1.26 -2.60 115.26 114.61 1boc n ASN 21 Ca 0.00 -0.71 -0.11 0.00 0.87 0.00 0.00 54.58 54.62 1boc n ASN 21 Cb 0.00 1.07 -0.10 0.00 -1.02 0.00 0.00 39.78 39.73 1boc n ASN 21 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1boc s GLN 22 N -2.30 0.88 0.15 3.52 -1.52 -1.26 -3.18 119.66 115.94 1boc s GLN 22 Ca 0.04 -1.36 0.00 0.00 -1.95 0.00 0.00 55.36 52.09 1boc s GLN 22 Cb 0.10 -0.29 -0.00 0.00 -0.22 0.00 0.00 33.01 32.59 1boc s GLN 22 CO 0.53 0.00 0.01 1.28 -0.25 0.00 0.00 175.29 176.86 1boc n LEU 23 N -0.07 0.00 -3.81 2.90 4.77 -1.21 -4.35 117.00 115.24 1boc n LEU 23 Ca -0.12 -0.95 -0.09 0.00 -0.03 0.00 0.00 56.01 54.83 1boc n LEU 23 Cb 0.61 0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.87 1boc n LEU 23 CO 0.30 -0.14 0.55 -0.44 -1.33 0.00 0.00 177.39 176.34 1boc s SER 24 N -1.82 0.02 0.37 -1.43 0.01 -1.26 -1.01 113.70 108.59 1boc s SER 24 Ca 0.01 -1.16 0.20 0.00 1.31 0.00 0.00 55.95 56.31 1boc s SER 24 Cb 0.00 0.84 0.47 0.00 0.21 0.00 0.00 66.02 67.54 1boc s SER 24 CO 0.01 -1.68 1.63 0.50 0.41 0.00 0.00 173.24 174.11 1boc h LYS 25 N 2.00 0.00 -0.00 12.44 3.64 -1.89 -2.26 116.57 130.50 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 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1boc h LYS 25 CO 0.42 0.31 -0.02 0.39 -2.27 0.00 0.00 179.45 178.28 1boc n GLU 26 N -3.28 0.38 0.00 1.90 1.02 -1.26 -3.10 120.64 116.30 1boc n GLU 26 Ca 0.01 -0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1boc n GLU 26 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1boc n GLU 26 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1boc n GLU 27 N -1.30 1.30 0.01 3.49 -0.58 -1.06 -4.43 120.64 118.08 1boc n GLU 27 Ca 0.13 -0.46 -0.21 0.00 -0.42 0.00 0.00 57.16 56.20 1boc n GLU 27 Cb 0.26 -0.92 -0.14 0.00 -0.57 0.00 0.00 31.44 30.07 1boc n GLU 27 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1boc n LEU 28 N -0.20 2.61 -0.24 -4.62 7.94 -0.87 -2.94 117.00 118.67 1boc n LEU 28 Ca 0.01 0.22 0.05 0.00 -1.11 0.00 0.00 56.01 55.18 1boc n LEU 28 Cb 0.05 -1.11 0.17 0.00 0.53 0.00 0.00 43.42 43.06 1boc n LEU 28 CO 0.02 0.85 0.92 0.50 -1.11 0.00 0.00 177.39 178.57 1boc h LYS 29 N 0.07 0.24 -0.31 1.96 3.64 -1.78 1.15 116.57 121.54 1boc h LYS 29 Ca -0.42 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 1boc h LYS 29 Cb 2.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.79 1boc h LYS 29 CO 0.09 0.16 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.23 1boc h LEU 30 N 0.24 0.52 0.00 5.20 -0.00 -1.77 -0.12 115.31 119.37 1boc h LEU 30 Ca 0.41 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1boc h LEU 30 Cb 0.69 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1boc h LEU 30 CO -0.52 0.68 0.00 -0.11 -0.00 0.00 0.00 178.44 178.49 1boc n LEU 31 N -4.19 0.00 0.27 1.67 0.00 0.39 0.62 117.00 115.76 1boc n LEU 31 Ca 0.01 0.71 0.18 0.00 0.00 0.00 0.00 56.01 56.91 1boc n LEU 31 Cb 0.33 -0.21 0.83 0.00 0.00 0.00 0.00 43.42 44.37 1boc n LEU 31 CO 0.41 -0.21 1.03 0.17 0.00 0.00 0.00 177.39 178.78 1boc h LEU 32 N 0.00 0.00 0.00 -1.96 -0.00 -1.45 -1.40 115.31 110.51 1boc h LEU 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1boc h LEU 32 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1boc h LEU 32 CO 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 178.44 178.29 1boc n GLN 33 N -2.90 0.05 0.11 0.17 6.02 -0.06 0.17 117.38 120.94 1boc n GLN 33 Ca -0.01 0.03 0.04 0.00 -0.01 0.00 0.00 57.00 57.06 1boc n GLN 33 Cb 0.19 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1boc n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1boc h THR 34 N 0.00 0.51 0.00 5.09 1.03 0.13 -3.38 112.91 116.30 1boc h THR 34 Ca 0.00 -1.82 0.00 0.00 -0.01 0.00 0.00 66.41 64.58 1boc h THR 34 Cb 0.55 2.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 1boc h THR 34 CO 0.00 0.29 -0.77 -0.62 -0.01 0.00 0.00 175.52 174.41 1boc n GLU 35 N -3.02 0.00 -3.20 0.00 1.02 -1.16 -4.95 120.64 109.33 1boc n GLU 35 Ca -0.02 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.89 1boc n GLU 35 Cb 0.72 -0.40 -0.06 0.00 -0.02 0.00 0.00 31.44 31.68 1boc n GLU 35 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1boc n PHE 36 N -2.86 0.70 -0.01 -0.32 3.72 0.44 -4.94 117.46 114.18 1boc n PHE 36 Ca 0.00 -3.75 0.23 0.00 -0.05 0.00 0.00 57.45 53.88 1boc n PHE 36 Cb 0.38 -0.41 0.72 0.00 -0.94 0.00 0.00 39.48 39.23 1boc n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1boc h PRO 37 N 3.64 0.00 0.00 -1.08 0.11 0.15 -0.10 132.00 134.71 1boc h PRO 37 Ca 0.10 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.03 1boc h PRO 37 Cb 0.85 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 1boc h PRO 37 CO 0.55 0.00 -0.93 0.66 -0.21 0.00 0.00 178.00 178.08 1boc h SER 38 N 0.00 0.00 -0.02 -2.05 4.64 -1.92 -3.26 113.55 110.94 1boc h SER 38 Ca 0.28 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1boc h SER 38 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1boc h SER 38 CO -0.00 0.83 0.14 -0.07 -0.87 0.00 0.00 176.83 176.86 1boc h LEU 39 N 0.00 0.00 -0.65 5.97 3.38 -1.33 -2.93 115.31 119.75 1boc h LEU 39 Ca -0.04 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1boc h LEU 39 Cb 1.67 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.32 1boc h LEU 39 CO 0.10 0.00 -0.55 -0.07 0.09 0.00 0.00 178.44 178.02 1boc h LEU 40 N 0.00 -1.91 -6.15 1.67 3.38 -1.67 -2.01 115.31 108.62 1boc h LEU 40 Ca 0.01 0.28 -0.76 0.00 0.09 0.00 0.00 57.88 57.49 1boc h LEU 40 Cb 0.29 0.82 -0.30 0.00 0.09 0.00 0.00 40.66 41.56 1boc h LEU 40 CO -0.00 -0.33 0.67 2.29 0.09 0.00 0.00 178.44 181.15 1boc n LYS 41 N -5.34 4.88 0.00 1.13 -0.00 -1.10 -4.30 118.16 113.42 1boc n LYS 41 Ca -0.01 -4.69 0.00 0.00 -0.00 0.00 0.00 58.31 53.61 1boc n LYS 41 Cb 0.32 -2.43 0.00 0.00 -0.00 0.00 0.00 35.03 32.92 1boc n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1boc n GLY 42 N 0.08 -0.01 3.56 2.58 0.00 -0.76 -5.13 105.19 105.52 1boc n GLY 42 Ca 0.41 0.14 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 1boc n GLY 42 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1boc s MET 43 N 0.00 1.84 -1.25 1.61 -1.94 -1.25 -4.77 119.30 113.55 1boc s MET 43 Ca 0.00 -1.97 -0.26 0.00 -1.71 0.00 0.00 55.69 51.75 1boc s MET 43 Cb 0.00 -1.68 0.03 0.00 2.01 0.00 0.00 34.83 35.19 1boc s MET 43 CO 0.00 0.10 0.62 -1.13 -0.01 0.00 0.00 175.02 174.60 1boc n SER 44 N -0.82 -3.60 -4.37 3.03 3.41 -1.26 -4.71 113.62 105.29 1boc n SER 44 Ca -0.05 -1.22 -0.46 0.00 -0.26 0.00 0.00 58.87 56.89 1boc n SER 44 Cb 0.64 -2.13 -0.02 0.00 -0.26 0.00 0.00 64.21 62.44 1boc n SER 44 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1boc n THR 45 N -4.78 1.52 0.09 6.66 5.66 -1.26 -4.88 114.28 117.30 1boc n THR 45 Ca -0.14 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.37 1boc n THR 45 Cb 0.59 -0.04 0.01 0.00 -1.55 0.00 0.00 70.33 69.34 1boc n THR 45 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1boc n LEU 46 N 2.07 1.20 -0.07 1.09 7.99 -1.26 -4.28 117.00 123.74 1boc n LEU 46 Ca 0.15 -1.01 -0.05 0.00 -0.01 0.00 0.00 56.01 55.10 1boc n LEU 46 Cb 0.31 -0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.60 1boc n LEU 46 CO 0.56 0.28 -0.21 0.44 -1.51 0.00 0.00 177.39 176.94 1boc h ASP 47 N 0.45 0.00 0.06 -1.43 5.19 -1.89 -3.33 116.42 115.46 1boc h ASP 47 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1boc h ASP 47 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1boc h ASP 47 CO 0.00 0.74 -0.00 -0.62 -3.12 0.00 0.00 179.24 176.23 1boc n GLU 48 N -4.66 0.97 0.21 3.56 1.02 -1.26 -2.53 120.64 117.94 1boc n GLU 48 Ca -0.07 -0.05 0.12 0.00 -0.02 0.00 0.00 57.16 57.14 1boc n GLU 48 Cb 0.22 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.35 1boc n GLU 48 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1boc h LEU 49 N 0.13 0.00 0.21 -4.62 6.46 -1.75 -3.08 115.31 112.66 1boc h LEU 49 Ca 0.00 0.00 -0.33 0.00 -0.12 0.00 0.00 57.88 57.43 1boc h LEU 49 Cb 0.06 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1boc h LEU 49 CO 0.00 0.00 -1.54 0.15 -0.62 0.00 0.00 178.44 176.43 1boc h PHE 50 N 0.00 0.82 -0.15 1.25 3.04 -1.60 -3.29 116.94 117.01 1boc h PHE 50 Ca 0.00 -0.60 -0.04 0.00 3.98 0.00 0.00 57.97 61.31 1boc h PHE 50 Cb 0.96 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 1boc h PHE 50 CO 0.00 1.55 -0.10 1.49 -2.02 0.00 0.00 178.31 179.23 1boc h GLU 51 N 0.12 0.23 -0.55 1.11 4.57 -1.67 -1.03 114.58 117.36 1boc h GLU 51 Ca -0.27 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1boc h GLU 51 Cb 2.12 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.68 1boc h GLU 51 CO 0.23 0.35 0.00 0.39 -1.18 0.00 0.00 179.01 178.80 1boc n GLU 52 N -4.30 1.21 0.00 1.92 1.02 -1.17 -4.04 120.64 115.28 1boc n GLU 52 Ca -0.01 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1boc n GLU 52 Cb 0.24 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1boc n GLU 52 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1boc n LEU 53 N -0.13 0.00 0.03 -4.62 4.77 -0.39 -4.92 117.00 111.74 1boc n LEU 53 Ca 0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 1boc n LEU 53 Cb 0.19 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.20 1boc n LEU 53 CO 0.02 0.00 -0.37 -0.67 -1.33 0.00 0.00 177.39 175.04 1boc n ASP 54 N 0.00 0.67 -2.70 -1.43 -0.08 -1.26 -5.05 116.55 106.70 1boc n ASP 54 Ca 0.00 0.29 -0.04 0.00 -1.51 0.00 0.00 54.79 53.52 1boc n ASP 54 Cb 0.00 0.52 -0.04 0.00 2.34 0.00 0.00 41.12 43.95 1boc n ASP 54 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1boc n LYS 55 N -2.76 -3.92 -4.19 -0.67 5.02 -1.26 -5.05 118.16 105.33 1boc n LYS 55 Ca -0.09 3.02 -0.12 0.00 -2.02 0.00 0.00 58.31 59.10 1boc n LYS 55 Cb 0.78 -4.39 -0.10 0.00 -0.02 0.00 0.00 35.03 31.29 1boc n LYS 55 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1boc s ASN 56 N -0.69 0.17 -0.18 4.39 2.47 -1.26 -5.01 114.94 114.82 1boc s ASN 56 Ca -0.21 -1.36 0.07 0.00 0.42 0.00 0.00 52.86 51.78 1boc s ASN 56 Cb 0.01 0.37 0.48 0.00 -1.45 0.00 0.00 41.25 40.67 1boc s ASN 56 CO 0.66 -0.83 1.36 0.61 -3.72 0.00 0.00 177.10 175.18 1boc n GLY 57 N -0.25 2.73 0.00 1.21 0.00 -1.26 -3.48 105.19 104.15 1boc n GLY 57 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1boc n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1boc n ASP 58 N 0.14 0.89 -1.65 1.61 8.00 -1.26 -4.97 116.55 119.32 1boc n ASP 58 Ca 0.23 -0.97 -0.17 0.00 0.71 0.00 0.00 54.79 54.59 1boc n ASP 58 Cb 0.95 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 1boc n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1boc n GLY 59 N 0.05 1.22 3.67 0.44 0.00 -1.23 -4.93 105.19 104.42 1boc n GLY 59 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.70 2.49 0.00 1.61 2.12 -1.26 -2.88 118.70 117.08 1boc s GLU 60 Ca 0.00 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1boc s GLU 60 Cb 0.00 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.88 1boc s GLU 60 CO 0.00 0.53 0.00 1.55 -0.54 0.00 0.00 175.26 176.80 1boc n VAL 61 N 0.57 0.00 -3.82 3.70 3.14 -0.18 -4.73 118.33 117.01 1boc n VAL 61 Ca -0.11 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.19 1boc n VAL 61 Cb 0.52 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.31 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 1.00 -0.08 0.16 6.55 1.04 -1.26 -3.30 113.70 117.80 1boc s SER 62 Ca 0.00 -0.95 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 1boc s SER 62 Cb 0.00 0.79 -0.01 0.00 0.10 0.00 0.00 66.02 66.90 1boc s SER 62 CO 0.00 -1.54 1.37 0.15 0.98 0.00 0.00 173.24 174.20 1boc h PHE 63 N 2.00 0.52 0.00 5.02 3.57 -1.93 0.49 116.94 126.60 1boc h PHE 63 Ca -0.28 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 60.96 1boc h PHE 63 Cb 1.25 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1boc h PHE 63 CO 1.06 1.05 0.00 1.49 -2.23 0.00 0.00 178.31 179.69 1boc h GLU 64 N 0.22 0.00 0.00 1.11 4.81 -1.96 -1.48 114.58 117.28 1boc h GLU 64 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1boc h GLU 64 Cb 1.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1boc h GLU 64 CO 0.14 0.00 -0.56 -1.91 -0.73 0.00 0.00 179.01 175.95 1boc n GLU 65 N -2.54 3.68 -0.13 1.92 4.07 -1.04 -4.44 120.64 122.16 1boc n GLU 65 Ca -0.00 -0.02 0.02 0.00 -0.06 0.00 0.00 57.16 57.10 1boc n GLU 65 Cb 0.14 -0.89 0.08 0.00 -0.06 0.00 0.00 31.44 30.70 1boc n GLU 65 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1boc n PHE 66 N -1.30 0.31 -0.02 4.31 7.35 0.17 -3.89 117.46 124.39 1boc n PHE 66 Ca 0.01 -0.13 -0.20 0.00 -0.76 0.00 0.00 57.45 56.36 1boc n PHE 66 Cb 0.12 -0.07 -0.13 0.00 0.35 0.00 0.00 39.48 39.75 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 0.96 0.17 -0.85 -4.13 1.08 -1.75 -3.32 115.11 107.27 1boc h GLN 67 Ca 0.00 -0.30 0.21 0.00 -1.45 0.00 0.00 58.65 57.11 1boc h GLN 67 Cb 0.44 0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 27.86 1boc h GLN 67 CO 0.04 1.14 0.31 0.28 -0.95 0.00 0.00 178.83 179.65 1boc h VAL 68 N -0.54 0.46 -0.72 -0.54 2.07 -1.90 0.67 116.25 115.76 1boc h VAL 68 Ca -0.24 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1boc h VAL 68 Cb 1.55 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1boc h VAL 68 CO 0.02 0.06 0.47 0.25 0.02 0.00 0.00 177.57 178.39 1boc h LEU 69 N 0.33 0.81 -0.98 2.57 7.12 -1.82 -1.35 115.31 121.99 1boc h LEU 69 Ca 0.52 -0.02 0.24 0.00 0.13 0.00 0.00 57.88 58.75 1boc h LEU 69 Cb 0.98 -0.20 -0.12 0.00 -0.53 0.00 0.00 40.66 40.79 1boc h LEU 69 CO -0.55 0.58 0.55 1.62 -0.13 0.00 0.00 178.44 180.51 1boc h VAL 70 N 0.95 0.52 0.00 1.05 3.04 0.27 1.04 116.25 123.12 1boc h VAL 70 Ca 0.27 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1boc h VAL 70 Cb -0.08 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.13 1boc h VAL 70 CO -0.06 0.10 0.00 0.29 -1.01 0.00 0.00 177.57 176.89 1boc n LYS 71 N -4.92 0.86 -0.17 4.17 4.01 -0.51 -0.92 118.16 120.67 1boc n LYS 71 Ca 0.26 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 58.08 1boc n LYS 71 Cb 0.73 -1.17 0.04 0.00 -0.51 0.00 0.00 35.03 34.11 1boc n LYS 71 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1boc n LYS 72 N 0.43 0.91 0.05 1.97 4.01 0.36 -1.40 118.16 124.50 1boc n LYS 72 Ca 0.00 -1.38 0.00 0.00 -0.51 0.00 0.00 58.31 56.42 1boc n LYS 72 Cb 0.37 -0.85 0.00 0.00 -0.51 0.00 0.00 35.03 34.04 1boc n LYS 72 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1boc n ILE 73 N -0.46 0.98 0.00 -0.18 2.08 -1.04 -4.68 119.36 116.07 1boc n ILE 73 Ca 0.04 0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.68 1boc n ILE 73 Cb 0.55 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.97 1boc n ILE 73 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1boc n SER 74 N -3.44 0.00 0.00 4.38 2.88 -1.24 -4.65 113.62 111.55 1boc n SER 74 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1boc n SER 74 Cb 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1boc n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81