#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 -3.47 -4.51 0.03 2.85 -0.03 -4.62 118.16 108.42 1boc n LYS 1 Ca 0.00 2.77 -0.29 0.00 -1.05 0.00 0.00 58.31 59.73 1boc n LYS 1 Cb 0.00 -3.70 -0.08 0.00 -0.65 0.00 0.00 35.03 30.61 1boc n LYS 1 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1boc s SER 2 N -6.21 4.18 0.00 -5.58 1.04 -1.26 -3.68 113.70 102.18 1boc s SER 2 Ca 0.00 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.00 1boc s SER 2 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1boc s SER 2 CO 0.00 -0.73 0.85 -2.65 0.98 0.00 0.00 173.24 171.69 1boc n PRO 3 N -1.25 0.00 0.00 4.02 -0.02 -1.26 -3.85 135.00 132.65 1boc n PRO 3 Ca -0.10 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1boc n PRO 3 Cb 0.66 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 1boc n PRO 3 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1boc n GLU 4 N -1.35 0.00 -0.03 -0.52 0.28 -1.26 -5.02 120.64 112.74 1boc n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1boc n GLU 4 Cb 0.07 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.86 1boc n GLU 4 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1boc n GLU 5 N 0.00 1.39 -0.37 3.44 -0.58 -1.25 -4.48 120.64 118.79 1boc n GLU 5 Ca 0.00 -0.05 -0.02 0.00 -0.42 0.00 0.00 57.16 56.67 1boc n GLU 5 Cb 0.00 -1.26 0.11 0.00 -0.57 0.00 0.00 31.44 29.73 1boc n GLU 5 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1boc h LEU 6 N 0.00 1.13 -0.96 -4.62 6.46 -1.91 -0.14 115.31 115.26 1boc h LEU 6 Ca -0.14 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1boc h LEU 6 Cb 1.08 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1boc h LEU 6 CO 0.01 0.81 0.00 0.50 -0.62 0.00 0.00 178.44 179.13 1boc h LYS 7 N 1.32 0.00 0.04 1.25 3.64 -1.98 -3.15 116.57 117.69 1boc h LYS 7 Ca 0.37 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1boc h LYS 7 Cb -0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1boc h LYS 7 CO -0.09 0.00 -0.02 0.78 -2.27 0.00 0.00 179.45 177.85 1boc h GLY 8 N 2.20 -0.05 0.89 5.01 0.00 -1.24 -3.09 103.07 106.80 1boc h GLY 8 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1boc h GLY 8 CO 0.00 -0.02 -0.24 1.19 0.00 0.00 0.00 176.54 177.48 1boc h ILE 9 N -0.43 0.50 0.00 2.60 -0.00 -1.57 -2.65 117.51 115.97 1boc h ILE 9 Ca -0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 64.86 64.66 1boc h ILE 9 Cb 0.39 0.58 0.00 0.00 -0.00 0.00 0.00 36.82 37.80 1boc h ILE 9 CO 0.01 0.03 0.00 0.49 -0.00 0.00 0.00 178.15 178.68 1boc n PHE 10 N -5.33 0.00 0.25 2.19 3.01 -1.22 0.40 117.46 116.77 1boc n PHE 10 Ca -0.12 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.41 1boc n PHE 10 Cb 0.30 -0.11 0.37 0.00 -0.01 0.00 0.00 39.48 40.03 1boc n PHE 10 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1boc h GLU 11 N 0.00 0.00 0.00 -1.08 4.11 -1.37 1.08 114.58 117.32 1boc h GLU 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 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 0.07 0.00 0.00 179.01 180.25 1boc n LYS 12 N -2.37 0.00 0.08 1.06 3.00 0.16 -3.95 118.16 116.14 1boc n LYS 12 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.20 1boc n LYS 12 Cb 0.55 -0.32 -0.12 0.00 0.00 0.00 0.00 35.03 35.14 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 0.18 0.00 5.64 -1.99 -0.05 -3.06 116.97 117.68 1boc h TYR 13 Ca 0.00 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1boc h TYR 13 Cb 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 1boc h TYR 13 CO 0.00 1.09 0.00 0.00 -0.00 0.00 0.00 178.16 179.25 1boc h ALA 14 N 0.87 1.00 0.00 3.88 0.00 0.13 -0.60 119.26 124.53 1boc h ALA 14 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1boc h ALA 14 Cb 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1boc h ALA 14 CO 0.15 0.00 -0.72 0.38 0.00 0.00 0.00 179.25 179.06 1boc h ASP 15 N 0.00 0.00 0.07 0.00 2.03 -1.31 0.75 116.42 117.96 1boc h ASP 15 Ca 0.00 -0.09 -0.04 0.00 -0.73 0.00 0.00 57.03 56.17 1boc h ASP 15 Cb 0.13 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 1boc h ASP 15 CO 0.00 0.04 -0.14 0.50 -1.03 0.00 0.00 179.24 178.61 1boc h LYS 16 N 0.00 0.16 0.00 4.15 3.11 -1.14 -0.14 116.57 122.70 1boc h LYS 16 Ca 0.00 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1boc h LYS 16 Cb 0.89 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.10 1boc h LYS 16 CO 0.00 0.30 0.00 -0.85 -2.81 0.00 0.00 179.45 176.09 1boc n GLU 17 N -4.30 0.24 0.00 1.90 0.28 -1.25 -4.86 120.64 112.65 1boc n GLU 17 Ca -0.01 0.26 0.00 0.00 -0.16 0.00 0.00 57.16 57.25 1boc n GLU 17 Cb 0.25 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.31 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 1.01 0.81 0.00 -1.84 0.00 -0.08 -5.04 105.19 100.05 1boc n GLY 18 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.10 -4.99 116.55 114.10 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 1.64 1.00 0.27 0.00 0.26 -4.30 105.19 104.06 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 3.07 -3.86 1.61 5.03 -1.26 -2.35 115.26 117.50 1boc n ASN 21 Ca 0.00 -1.97 -0.10 0.00 0.87 0.00 0.00 54.58 53.38 1boc n ASN 21 Cb 0.00 -0.09 -0.08 0.00 -1.02 0.00 0.00 39.78 38.59 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 -1.82 0.71 0.01 3.52 1.11 -1.26 -3.63 119.66 118.30 1boc s GLN 22 Ca 0.32 -0.71 0.00 0.00 0.01 0.00 0.00 55.36 54.98 1boc s GLN 22 Cb 0.21 0.29 0.00 0.00 -1.01 0.00 0.00 33.01 32.50 1boc s GLN 22 CO 0.31 -0.21 0.00 1.28 0.01 0.00 0.00 175.29 176.68 1boc n LEU 23 N 0.54 0.00 -3.81 2.90 4.77 -0.61 -4.34 117.00 116.45 1boc n LEU 23 Ca -0.18 -0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.66 1boc n LEU 23 Cb 0.60 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1boc n LEU 23 CO 0.22 -0.03 0.56 -0.44 -1.33 0.00 0.00 177.39 176.37 1boc s SER 24 N -1.05 0.01 0.39 -1.43 0.01 -1.26 -0.53 113.70 109.84 1boc s SER 24 Ca 0.00 -1.13 0.21 0.00 1.31 0.00 0.00 55.95 56.34 1boc s SER 24 Cb -0.00 0.83 0.36 0.00 0.21 0.00 0.00 66.02 67.42 1boc s SER 24 CO 0.00 -1.65 1.59 0.50 0.41 0.00 0.00 173.24 174.09 1boc h LYS 25 N 2.00 0.00 -0.00 12.44 1.63 -1.96 -2.86 116.57 127.81 1boc h LYS 25 Ca -0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1boc h LYS 25 Cb 1.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1boc h LYS 25 CO 0.41 0.20 -0.00 0.39 -3.45 0.00 0.00 179.45 177.00 1boc n GLU 26 N -3.17 1.04 0.00 1.90 -0.58 -1.26 -3.50 120.64 115.07 1boc n GLU 26 Ca 0.03 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1boc n GLU 26 Cb 0.58 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 1boc n GLU 26 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1boc n GLU 27 N -0.87 0.29 -0.03 3.49 1.02 -1.12 -4.51 120.64 118.92 1boc n GLU 27 Ca 0.23 -0.59 -0.22 0.00 -0.02 0.00 0.00 57.16 56.56 1boc n GLU 27 Cb 0.15 -0.79 -0.13 0.00 -0.02 0.00 0.00 31.44 30.65 1boc n GLU 27 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1boc h LEU 28 N 0.00 0.28 0.36 -4.62 5.85 -1.55 -3.31 115.31 112.32 1boc h LEU 28 Ca 0.00 -0.80 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 1boc h LEU 28 Cb 0.40 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1boc h LEU 28 CO 0.00 1.73 -0.28 0.50 -0.34 0.00 0.00 178.44 180.05 1boc h LYS 29 N -0.30 -0.62 0.00 1.25 3.64 -1.84 -1.38 116.57 117.32 1boc h LYS 29 Ca -0.40 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1boc h LYS 29 Cb 1.79 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1boc h LYS 29 CO -0.01 -0.41 0.24 1.37 -2.27 0.00 0.00 179.45 178.37 1boc h LEU 30 N -0.64 0.00 0.28 5.20 -0.00 -1.79 -1.02 115.31 117.34 1boc h LEU 30 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1boc h LEU 30 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1boc h LEU 30 CO -0.01 0.00 -0.13 0.25 -0.00 0.00 0.00 178.44 178.54 1boc h LEU 31 N 0.00 -0.32 -0.00 0.17 6.46 -1.34 0.14 115.31 120.42 1boc h LEU 31 Ca 0.00 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1boc h LEU 31 Cb 0.48 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1boc h LEU 31 CO 0.00 -0.10 -0.30 -0.07 -0.62 0.00 0.00 178.44 177.36 1boc h LEU 32 N -0.64 -0.92 -1.67 2.25 4.07 -1.14 -1.11 115.31 116.14 1boc h LEU 32 Ca -0.04 0.10 0.16 0.00 0.08 0.00 0.00 57.88 58.19 1boc h LEU 32 Cb 0.29 0.35 -0.05 0.00 1.08 0.00 0.00 40.66 42.33 1boc h LEU 32 CO 0.06 -0.29 0.51 1.56 -1.08 0.00 0.00 178.44 179.20 1boc h GLN 33 N -0.37 0.31 -0.49 1.13 4.20 -1.32 3.72 115.11 122.28 1boc h GLN 33 Ca 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1boc h GLN 33 Cb 0.40 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1boc h GLN 33 CO -0.20 0.20 0.25 1.15 -0.67 0.00 0.00 178.83 179.56 1boc h THR 34 N 0.32 1.16 0.00 -0.54 2.02 0.31 -3.26 112.91 112.92 1boc h THR 34 Ca 0.37 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 1boc h THR 34 Cb 0.98 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1boc h THR 34 CO -0.10 0.18 -0.75 -0.62 0.37 0.00 0.00 175.52 174.60 1boc n GLU 35 N -4.40 0.17 -3.59 6.66 -0.58 0.54 -4.88 120.64 114.56 1boc n GLU 35 Ca 0.04 0.07 -0.32 0.00 -0.42 0.00 0.00 57.16 56.53 1boc n GLU 35 Cb 0.11 -0.80 -0.08 0.00 -0.57 0.00 0.00 31.44 30.11 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 -3.65 3.65 0.00 -0.32 3.72 1.20 -4.94 117.46 117.12 1boc n PHE 36 Ca -0.09 -4.03 0.00 0.00 -0.05 0.00 0.00 57.45 53.27 1boc n PHE 36 Cb 0.33 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 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 1.74 0.00 -0.39 -1.08 -0.02 -1.11 -3.81 135.00 130.34 1boc n PRO 37 Ca 0.24 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.57 1boc n PRO 37 Cb 0.37 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.81 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 0.00 0.17 0.00 2.55 3.41 -1.25 -4.69 113.62 113.81 1boc n SER 38 Ca 0.00 0.14 0.07 0.00 -0.26 0.00 0.00 58.87 58.82 1boc n SER 38 Cb 0.00 -0.26 0.32 0.00 -0.26 0.00 0.00 64.21 64.01 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 2.49 0.00 -0.66 1.04 7.99 -1.25 -3.35 117.00 123.26 1boc n LEU 39 Ca 0.17 0.37 0.49 0.00 -0.01 0.00 0.00 56.01 57.04 1boc n LEU 39 Cb -0.00 -0.37 0.76 0.00 -0.11 0.00 0.00 43.42 43.70 1boc n LEU 39 CO 0.26 -0.20 1.37 0.18 -1.51 0.00 0.00 177.39 177.49 1boc n LEU 40 N -1.37 0.01 -1.97 2.23 4.77 -1.26 0.42 117.00 119.83 1boc n LEU 40 Ca 0.05 0.93 -0.13 0.00 -0.03 0.00 0.00 56.01 56.83 1boc n LEU 40 Cb 0.13 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 1boc n LEU 40 CO 0.11 -0.93 1.39 2.29 -1.33 0.00 0.00 177.39 178.92 1boc n LYS 41 N -3.80 1.81 -2.63 3.23 2.85 -1.21 -3.94 118.16 114.48 1boc n LYS 41 Ca 0.41 -1.16 -0.05 0.00 -1.05 0.00 0.00 58.31 56.46 1boc n LYS 41 Cb 1.87 -1.72 0.08 0.00 -0.65 0.00 0.00 35.03 34.60 1boc n LYS 41 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1boc n GLY 42 N 1.51 0.69 4.24 2.58 0.00 0.17 -4.96 105.19 109.42 1boc n GLY 42 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.65 0.00 0.00 1.61 2.81 -1.25 -4.95 117.12 114.68 1boc n MET 43 Ca -0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1boc n MET 43 Cb 0.78 -0.63 0.00 0.00 -0.71 0.00 0.00 33.22 32.66 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 0.66 -1.29 -3.93 7.83 3.41 -1.26 -4.89 113.62 114.15 1boc n SER 44 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1boc n SER 44 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 1boc n SER 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1boc n THR 45 N -2.46 0.00 0.00 6.66 -1.04 -1.26 -4.77 114.28 111.41 1boc n THR 45 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1boc n THR 45 Cb 0.00 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.88 1boc n THR 45 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1boc n LEU 46 N -2.19 0.00 -0.01 -4.42 7.94 -1.26 -4.18 117.00 112.88 1boc n LEU 46 Ca 0.04 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1boc n LEU 46 Cb 0.52 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.47 1boc n LEU 46 CO 0.41 0.00 -0.56 0.47 -1.11 0.00 0.00 177.39 176.60 1boc n ASP 47 N 0.00 1.71 0.00 1.96 8.00 -1.26 -4.59 116.55 122.37 1boc n ASP 47 Ca 0.00 0.01 0.08 0.00 0.71 0.00 0.00 54.79 55.59 1boc n ASP 47 Cb 0.00 -0.05 0.36 0.00 -0.02 0.00 0.00 41.12 41.42 1boc n ASP 47 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1boc n GLU 48 N -2.86 0.09 0.16 -1.24 2.13 -1.26 -0.93 120.64 116.73 1boc n GLU 48 Ca -0.04 0.19 0.05 0.00 0.66 0.00 0.00 57.16 58.03 1boc n GLU 48 Cb 0.53 -1.50 0.06 0.00 0.27 0.00 0.00 31.44 30.80 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 0.25 4.31 5.85 -1.96 -2.34 115.31 121.41 1boc h LEU 49 Ca 0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 1boc h LEU 49 Cb 0.23 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.29 1boc h LEU 49 CO 0.00 0.35 -1.49 0.15 -0.34 0.00 0.00 178.44 177.11 1boc h PHE 50 N 0.00 0.96 -0.41 1.25 3.57 -1.28 -3.12 116.94 117.90 1boc h PHE 50 Ca -0.01 -0.70 -0.14 0.00 3.53 0.00 0.00 57.97 60.65 1boc h PHE 50 Cb 1.27 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1boc h PHE 50 CO 0.00 1.57 -0.30 1.49 -2.23 0.00 0.00 178.31 178.84 1boc h GLU 51 N 0.13 0.90 0.00 1.11 4.57 -1.50 1.26 114.58 121.04 1boc h GLU 51 Ca -0.26 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.49 1boc h GLU 51 Cb 2.15 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.73 1boc h GLU 51 CO 0.27 1.08 0.00 0.93 -1.18 0.00 0.00 179.01 180.10 1boc h GLU 52 N 0.76 0.00 0.00 1.92 4.39 -1.51 -2.50 114.58 117.63 1boc h GLU 52 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1boc h GLU 52 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1boc h GLU 52 CO 0.08 0.00 -0.03 1.28 -1.16 0.00 0.00 179.01 179.18 1boc n LEU 53 N -2.89 1.67 -4.75 1.33 4.77 -0.87 -4.98 117.00 111.27 1boc n LEU 53 Ca -0.01 -1.89 -0.41 0.00 -0.03 0.00 0.00 56.01 53.68 1boc n LEU 53 Cb 0.19 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1boc n LEU 53 CO 0.22 0.46 0.80 -0.62 -1.33 0.00 0.00 177.39 176.92 1boc s ASP 54 N -1.27 7.26 -0.05 -1.43 -1.08 0.43 -4.73 116.67 115.80 1boc s ASP 54 Ca 0.07 2.22 -0.08 0.00 -0.52 0.00 0.00 52.55 54.24 1boc s ASP 54 Cb 0.06 -2.62 -0.03 0.00 -1.46 0.00 0.00 42.92 38.87 1boc s ASP 54 CO 0.01 -0.17 -0.16 0.29 0.52 0.00 0.00 175.17 175.65 1boc n LYS 55 N 1.58 0.25 0.00 4.34 5.02 -1.26 -4.97 118.16 123.11 1boc n LYS 55 Ca 0.00 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1boc n LYS 55 Cb 0.45 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 1boc n LYS 55 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1boc n ASN 56 N -3.76 1.22 0.00 4.39 6.94 -1.26 -5.07 115.26 117.72 1boc n ASN 56 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 1boc n ASN 56 Cb 0.24 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1boc n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1boc n GLY 57 N 1.66 0.36 0.00 4.83 0.00 -1.26 -5.05 105.19 105.73 1boc n GLY 57 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1boc n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1boc n ASP 58 N 0.00 0.87 0.00 1.61 5.75 -1.26 -4.98 116.55 118.54 1boc n ASP 58 Ca 0.00 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 1boc n ASP 58 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1boc n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1boc n GLY 59 N -0.08 0.68 3.13 6.12 0.00 -1.26 -5.05 105.19 108.73 1boc n GLY 59 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.48 0.61 0.37 1.61 2.12 -1.26 -4.21 118.70 115.46 1boc s GLU 60 Ca 0.00 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 54.67 1boc s GLU 60 Cb 0.00 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.61 1boc s GLU 60 CO 0.00 -0.16 0.14 0.08 -0.54 0.00 0.00 175.26 174.78 1boc s VAL 61 N -2.54 0.55 0.43 3.70 1.01 0.31 -4.63 120.40 119.23 1boc s VAL 61 Ca -0.05 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 59.96 1boc s VAL 61 Cb -0.01 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1boc s VAL 61 CO -0.04 0.00 0.06 -0.94 0.00 0.00 0.00 175.10 174.18 1boc s SER 62 N -3.53 3.29 0.18 3.32 1.04 -1.26 -1.57 113.70 115.17 1boc s SER 62 Ca 0.29 -1.58 -0.06 0.00 0.48 0.00 0.00 55.95 55.08 1boc s SER 62 Cb 0.04 0.31 0.08 0.00 0.10 0.00 0.00 66.02 66.54 1boc s SER 62 CO 0.16 -0.80 1.51 0.15 0.98 0.00 0.00 173.24 175.24 1boc h PHE 63 N 1.69 0.84 -0.94 5.02 3.57 -1.96 -1.19 116.94 123.99 1boc h PHE 63 Ca -0.40 -0.27 0.07 0.00 3.53 0.00 0.00 57.97 60.89 1boc h PHE 63 Cb 1.28 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 1boc h PHE 63 CO 1.27 1.03 0.61 0.93 -2.23 0.00 0.00 178.31 179.92 1boc h GLU 64 N 0.54 1.03 0.03 1.11 4.39 -1.96 -1.65 114.58 118.08 1boc h GLU 64 Ca 0.03 -0.06 -0.22 0.00 0.34 0.00 0.00 59.36 59.44 1boc h GLU 64 Cb 1.03 -0.23 0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1boc h GLU 64 CO 0.10 0.68 -0.90 0.93 -1.16 0.00 0.00 179.01 178.67 1boc h GLU 65 N 1.06 0.55 0.00 2.33 3.07 -1.90 -3.12 114.58 116.57 1boc h GLU 65 Ca 0.41 -0.64 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1boc h GLU 65 Cb 0.21 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1boc h GLU 65 CO -0.16 1.25 0.00 0.34 -1.40 0.00 0.00 179.01 179.04 1boc n PHE 66 N -4.00 0.00 0.10 4.33 7.35 -0.46 -2.16 117.46 122.62 1boc n PHE 66 Ca -0.11 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.38 1boc n PHE 66 Cb 0.82 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.50 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 0.00 0.36 -0.89 -4.13 1.08 -1.36 -3.12 115.11 107.04 1boc h GLN 67 Ca 0.00 -0.61 0.24 0.00 -1.45 0.00 0.00 58.65 56.83 1boc h GLN 67 Cb 0.00 0.23 -0.14 0.00 -0.05 0.00 0.00 27.48 27.51 1boc h GLN 67 CO 0.00 1.27 0.25 -0.24 -0.95 0.00 0.00 178.83 179.16 1boc h VAL 68 N 0.10 0.30 -0.26 -0.54 3.04 -1.67 1.26 116.25 118.48 1boc h VAL 68 Ca -0.23 -0.07 -0.10 0.00 -1.01 0.00 0.00 66.70 65.29 1boc h VAL 68 Cb 2.06 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 1boc h VAL 68 CO 0.21 0.04 -0.27 0.25 -1.01 0.00 0.00 177.57 176.78 1boc h LEU 69 N 0.21 0.52 -1.23 3.16 7.12 -1.77 -3.04 115.31 120.27 1boc h LEU 69 Ca 0.57 -0.18 0.39 0.00 0.13 0.00 0.00 57.88 58.78 1boc h LEU 69 Cb 1.16 -0.14 -0.14 0.00 -0.53 0.00 0.00 40.66 41.01 1boc h LEU 69 CO -0.66 0.78 0.71 1.62 -0.13 0.00 0.00 178.44 180.75 1boc h VAL 70 N 0.44 0.19 -0.10 1.05 3.04 0.17 2.35 116.25 123.39 1boc h VAL 70 Ca 0.06 -0.06 -0.06 0.00 -1.01 0.00 0.00 66.70 65.64 1boc h VAL 70 Cb 0.71 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.97 1boc h VAL 70 CO 0.05 0.03 0.07 2.29 -1.01 0.00 0.00 177.57 179.01 1boc n LYS 71 N -4.88 1.14 -0.18 4.17 2.85 -1.15 -0.85 118.16 119.26 1boc n LYS 71 Ca 0.35 -0.31 0.01 0.00 -1.05 0.00 0.00 58.31 57.31 1boc n LYS 71 Cb 1.24 -1.12 0.01 0.00 -0.65 0.00 0.00 35.03 34.50 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 0.72 0.29 -0.04 -1.58 4.76 0.79 -4.32 118.16 118.77 1boc n LYS 72 Ca 0.06 -0.86 -0.07 0.00 -2.87 0.00 0.00 58.31 54.57 1boc n LYS 72 Cb 0.58 -0.59 -0.03 0.00 -1.84 0.00 0.00 35.03 33.15 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 -0.11 0.42 -0.25 -0.18 2.08 -1.17 -4.80 119.36 115.36 1boc n ILE 73 Ca 0.01 -0.12 -0.03 0.00 0.56 0.00 0.00 62.75 63.17 1boc n ILE 73 Cb 0.56 -1.36 -0.00 0.00 -0.75 0.00 0.00 39.64 38.09 1boc n ILE 73 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1boc n SER 74 N -3.16 -0.49 0.00 4.38 3.41 -1.24 -4.76 113.62 111.76 1boc n SER 74 Ca -0.15 1.11 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 1boc n SER 74 Cb 0.62 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1boc n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88