#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 2.98 -0.16 0.03 2.85 0.10 -3.81 118.16 120.16 1boc n LYS 1 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1boc n LYS 1 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1boc n LYS 1 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1boc n SER 2 N 0.00 0.73 -3.30 -5.58 3.41 -1.26 -2.46 113.62 105.16 1boc n SER 2 Ca 0.00 -0.11 -0.27 0.00 -0.26 0.00 0.00 58.87 58.23 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 -0.07 1.71 -2.77 4.33 -0.05 -1.26 -4.21 135.00 132.68 1boc n PRO 3 Ca 0.00 -1.48 -0.08 0.00 -0.05 0.00 0.00 63.50 61.89 1boc n PRO 3 Cb 0.00 -2.55 0.03 0.00 -0.05 0.00 0.00 33.50 30.93 1boc n PRO 3 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1boc n GLU 4 N 5.15 -2.82 -0.02 0.54 1.02 -1.26 -4.96 120.64 118.29 1boc n GLU 4 Ca 0.42 0.32 -0.02 0.00 -0.02 0.00 0.00 57.16 57.86 1boc n GLU 4 Cb 0.20 -3.78 -0.04 0.00 -0.02 0.00 0.00 31.44 27.81 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 -2.20 2.88 -0.03 3.49 4.07 -1.26 -4.59 120.64 123.00 1boc n GLU 5 Ca -0.04 -0.01 -0.20 0.00 -0.06 0.00 0.00 57.16 56.86 1boc n GLU 5 Cb 0.54 -1.14 -0.13 0.00 -0.06 0.00 0.00 31.44 30.65 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 0.20 -1.67 4.31 5.85 -1.93 -3.22 115.31 118.86 1boc h LEU 6 Ca -0.13 -0.81 0.19 0.00 0.84 0.00 0.00 57.88 57.96 1boc h LEU 6 Cb 1.25 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1boc h LEU 6 CO 0.01 1.41 0.73 0.50 -0.34 0.00 0.00 178.44 180.75 1boc h LYS 7 N -0.65 0.00 -0.09 1.25 3.64 -1.95 0.79 116.57 119.55 1boc h LYS 7 Ca -0.22 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.01 1boc h LYS 7 Cb 1.45 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.28 1boc h LYS 7 CO -0.01 0.00 -0.52 0.78 -2.27 0.00 0.00 179.45 177.43 1boc h GLY 8 N 0.00 0.57 -0.88 5.01 0.00 -1.81 -3.24 103.07 102.73 1boc h GLY 8 Ca 0.31 -0.82 0.19 0.00 0.00 0.00 0.00 47.33 47.01 1boc h GLY 8 CO -0.00 0.73 -0.17 4.51 0.00 0.00 0.00 176.54 181.61 1boc n ILE 9 N -4.22 -0.37 0.00 2.60 3.06 0.27 -1.74 119.36 118.96 1boc n ILE 9 Ca -0.08 2.00 0.00 0.00 -2.50 0.00 0.00 62.75 62.16 1boc n ILE 9 Cb 0.61 -2.80 0.00 0.00 0.54 0.00 0.00 39.64 38.00 1boc n ILE 9 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1boc n PHE 10 N -5.40 0.00 0.18 9.51 3.01 -1.22 0.02 117.46 123.56 1boc n PHE 10 Ca 0.15 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.67 1boc n PHE 10 Cb 0.49 -0.10 0.31 0.00 -0.01 0.00 0.00 39.48 40.17 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 -0.00 0.02 2.04 114.58 115.55 1boc h GLU 11 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1boc h GLU 11 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1boc h GLU 11 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 179.01 180.18 1boc n LYS 12 N -2.07 0.00 0.06 1.06 3.00 0.10 -4.47 118.16 115.84 1boc n LYS 12 Ca -0.01 0.07 -0.20 0.00 -0.00 0.00 0.00 58.31 58.17 1boc n LYS 12 Cb 0.43 -0.53 -0.10 0.00 0.00 0.00 0.00 35.03 34.83 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 0.96 -2.91 5.64 -1.99 -0.84 -3.39 116.97 114.44 1boc h TYR 13 Ca 0.00 -0.55 -0.57 0.00 2.00 0.00 0.00 58.73 59.62 1boc h TYR 13 Cb 0.00 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.59 1boc h TYR 13 CO 0.00 1.38 0.94 0.00 -0.00 0.00 0.00 178.16 180.48 1boc s ALA 14 N -3.21 3.60 0.00 3.88 0.00 0.69 -4.22 121.76 122.50 1boc s ALA 14 Ca -0.09 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1boc s ALA 14 Cb 0.07 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1boc s ALA 14 CO 0.92 -1.32 0.00 -3.47 0.00 0.00 0.00 175.76 171.89 1boc n ASP 15 N 6.89 0.00 -0.38 0.00 -0.08 -1.25 -3.03 116.55 118.70 1boc n ASP 15 Ca 0.15 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.33 1boc n ASP 15 Cb 0.45 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.82 1boc n ASP 15 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1boc n LYS 16 N 0.00 -0.39 0.17 -0.67 3.00 -1.26 0.58 118.16 119.59 1boc n LYS 16 Ca 0.00 1.43 0.13 0.00 -0.00 0.00 0.00 58.31 59.87 1boc n LYS 16 Cb 0.00 -2.11 0.33 0.00 0.00 0.00 0.00 35.03 33.25 1boc n LYS 16 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1boc h GLU 17 N 0.00 0.00 0.00 1.64 4.11 -1.96 -3.47 114.58 114.90 1boc h GLU 17 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1boc h GLU 17 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1boc h GLU 17 CO -0.84 0.00 0.00 0.41 0.07 0.00 0.00 179.01 178.65 1boc n GLY 18 N 1.03 1.58 0.00 1.06 0.00 0.20 -5.00 105.19 104.06 1boc n GLY 18 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.26 -4.83 116.55 111.99 1boc n ASP 19 Ca 0.00 0.81 0.00 0.00 -1.51 0.00 0.00 54.79 54.09 1boc n ASP 19 Cb 0.00 -0.31 0.00 0.00 2.34 0.00 0.00 41.12 43.15 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 -0.97 0.83 0.58 0.27 0.00 -1.25 -4.85 105.19 99.80 1boc n GLY 20 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 2.94 -3.79 1.61 3.02 -1.26 -0.59 115.26 117.20 1boc n ASN 21 Ca 0.00 -2.18 -0.13 0.00 -0.03 0.00 0.00 54.58 52.24 1boc n ASN 21 Cb 0.00 -0.26 -0.11 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.33 0.35 0.00 3.52 1.11 -1.26 -3.50 119.66 118.55 1boc s GLN 22 Ca 0.23 0.28 0.00 0.00 0.01 0.00 0.00 55.36 55.88 1boc s GLN 22 Cb 0.14 0.16 0.00 0.00 -1.01 0.00 0.00 33.01 32.31 1boc s GLN 22 CO 0.12 -0.05 0.00 1.28 0.01 0.00 0.00 175.29 176.65 1boc n LEU 23 N 2.73 0.00 -3.90 2.90 4.77 -1.23 -3.81 117.00 118.46 1boc n LEU 23 Ca -0.14 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.76 1boc n LEU 23 Cb 0.58 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1boc n LEU 23 CO 0.18 -0.10 0.39 -0.44 -1.33 0.00 0.00 177.39 176.10 1boc s SER 24 N -0.41 -0.13 0.50 -1.43 0.01 -1.26 -0.54 113.70 110.45 1boc s SER 24 Ca 0.00 -0.81 0.29 0.00 1.31 0.00 0.00 55.95 56.74 1boc s SER 24 Cb 0.00 0.71 1.02 0.00 0.21 0.00 0.00 66.02 67.96 1boc s SER 24 CO 0.00 -1.35 1.86 0.50 0.41 0.00 0.00 173.24 174.66 1boc h LYS 25 N 2.07 0.00 -0.01 12.44 3.64 -1.96 -2.45 116.57 130.29 1boc h LYS 25 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 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 0.29 0.06 0.00 -1.91 -2.27 0.00 0.00 179.45 175.63 1boc n GLU 26 N -3.16 1.04 -0.02 1.90 2.13 -1.26 -3.55 120.64 117.73 1boc n GLU 26 Ca 0.01 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1boc n GLU 26 Cb 0.39 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.85 1boc n GLU 26 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1boc n GLU 27 N -0.68 0.13 -0.04 5.31 1.02 -0.94 -4.72 120.64 120.73 1boc n GLU 27 Ca 0.12 -0.56 -0.21 0.00 -0.02 0.00 0.00 57.16 56.49 1boc n GLU 27 Cb 0.07 -0.52 -0.13 0.00 -0.02 0.00 0.00 31.44 30.83 1boc n GLU 27 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1boc n LEU 28 N -0.02 2.69 0.09 -4.62 7.94 -1.13 -3.36 117.00 118.58 1boc n LEU 28 Ca 0.00 0.13 -0.12 0.00 -1.11 0.00 0.00 56.01 54.91 1boc n LEU 28 Cb 0.50 -1.06 -0.05 0.00 0.53 0.00 0.00 43.42 43.33 1boc n LEU 28 CO 0.00 0.85 0.68 0.50 -1.11 0.00 0.00 177.39 178.31 1boc h LYS 29 N -0.01 -0.45 0.00 1.96 3.64 -1.87 0.13 116.57 119.97 1boc h LYS 29 Ca -0.47 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1boc h LYS 29 Cb 1.97 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 1boc h LYS 29 CO 0.02 -0.30 0.00 1.28 -2.27 0.00 0.00 179.45 178.18 1boc n LEU 30 N -5.39 0.08 -0.06 5.20 4.32 -1.26 -1.92 117.00 117.97 1boc n LEU 30 Ca -0.06 0.53 -0.14 0.00 -0.02 0.00 0.00 56.01 56.32 1boc n LEU 30 Cb 0.30 -0.52 -0.12 0.00 -1.62 0.00 0.00 43.42 41.46 1boc n LEU 30 CO 0.23 -0.38 0.43 0.25 -1.22 0.00 0.00 177.39 176.71 1boc h LEU 31 N 0.00 0.00 0.35 2.23 5.85 -0.81 -2.78 115.31 120.15 1boc h LEU 31 Ca 0.00 -0.91 -0.02 0.00 0.84 0.00 0.00 57.88 57.80 1boc h LEU 31 Cb 0.18 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1boc h LEU 31 CO 0.00 0.91 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.77 1boc h LEU 32 N -0.90 -0.39 -0.96 2.25 3.38 -0.71 -3.27 115.31 114.70 1boc h LEU 32 Ca -0.00 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.20 1boc h LEU 32 Cb 0.91 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 1boc h LEU 32 CO 0.00 -0.17 0.53 1.56 0.09 0.00 0.00 178.44 180.45 1boc h GLN 33 N -0.68 0.56 -1.16 1.13 4.20 -1.52 0.37 115.11 118.01 1boc h GLN 33 Ca -0.05 -0.03 0.33 0.00 0.06 0.00 0.00 58.65 58.96 1boc h GLN 33 Cb 0.36 -0.13 -0.09 0.00 0.30 0.00 0.00 27.48 27.92 1boc h GLN 33 CO 0.08 0.37 0.78 1.15 -0.67 0.00 0.00 178.83 180.54 1boc h THR 34 N 0.58 0.40 0.00 -0.54 2.02 -1.54 -2.80 112.91 111.03 1boc h THR 34 Ca 0.59 -0.07 -0.30 0.00 0.77 0.00 0.00 66.41 67.39 1boc h THR 34 Cb 1.04 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1boc h THR 34 CO -0.46 0.04 -2.06 -0.62 0.37 0.00 0.00 175.52 172.80 1boc n GLU 35 N -4.48 0.42 -3.50 6.66 -0.58 0.16 -4.88 120.64 114.44 1boc n GLU 35 Ca 0.28 0.15 -0.28 0.00 -0.42 0.00 0.00 57.16 56.89 1boc n GLU 35 Cb 1.12 -1.25 -0.11 0.00 -0.57 0.00 0.00 31.44 30.63 1boc n GLU 35 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1boc s PHE 36 N -2.36 1.34 0.00 -0.32 0.08 0.11 -4.99 117.98 111.84 1boc s PHE 36 Ca -0.26 -2.26 0.00 0.00 0.12 0.00 0.00 56.93 54.53 1boc s PHE 36 Cb 0.09 -1.20 0.00 0.00 -0.57 0.00 0.00 43.02 41.34 1boc s PHE 36 CO 0.37 -0.80 0.00 -2.30 -0.10 0.00 0.00 175.22 172.39 1boc n PRO 37 N 3.13 0.00 -0.67 0.24 -0.02 -1.08 -4.01 135.00 132.59 1boc n PRO 37 Ca 0.22 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.44 1boc n PRO 37 Cb 0.42 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.87 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 0.35 -0.09 2.55 3.41 -1.26 -4.74 113.62 113.83 1boc n SER 38 Ca 0.00 0.47 0.05 0.00 -0.26 0.00 0.00 58.87 59.13 1boc n SER 38 Cb 0.00 -0.35 0.26 0.00 -0.26 0.00 0.00 64.21 63.86 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 1.32 0.28 -2.00 1.04 7.99 -1.26 -3.67 117.00 120.70 1boc n LEU 39 Ca 0.11 -0.13 -0.23 0.00 -0.01 0.00 0.00 56.01 55.76 1boc n LEU 39 Cb -0.01 -0.03 0.14 0.00 -0.11 0.00 0.00 43.42 43.41 1boc n LEU 39 CO 0.33 0.06 1.10 0.00 -1.51 0.00 0.00 177.39 177.37 1boc n LEU 40 N -0.47 6.26 -3.79 2.23 -0.00 -1.26 -4.78 117.00 115.18 1boc n LEU 40 Ca 0.08 -3.96 -0.42 0.00 -0.00 0.00 0.00 56.01 51.71 1boc n LEU 40 Cb 0.07 -0.79 0.01 0.00 -0.00 0.00 0.00 43.42 42.71 1boc n LEU 40 CO 0.06 1.33 1.78 2.29 -0.00 0.00 0.00 177.39 182.84 1boc n LYS 41 N -1.04 4.26 0.00 1.47 2.85 -1.24 -4.26 118.16 120.20 1boc n LYS 41 Ca 0.53 -3.91 0.00 0.00 -1.05 0.00 0.00 58.31 53.88 1boc n LYS 41 Cb 1.17 -2.70 0.00 0.00 -0.65 0.00 0.00 35.03 32.84 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 1.86 0.49 0.85 2.58 0.00 -1.26 -5.07 105.19 104.65 1boc n GLY 42 Ca 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 0.11 0.00 1.61 2.81 -1.26 -4.98 117.12 115.40 1boc n MET 43 Ca 0.00 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1boc n MET 43 Cb 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 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 -3.40 0.00 0.00 7.83 3.41 -1.26 -5.13 113.62 115.06 1boc n SER 44 Ca -0.07 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1boc n SER 44 Cb 0.39 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.09 0.00 0.00 6.66 5.66 -1.26 -5.05 114.28 118.20 1boc n THR 45 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1boc n THR 45 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1boc n THR 45 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1boc n LEU 46 N 0.00 0.00 0.00 1.09 0.00 -1.26 -4.78 117.00 112.05 1boc n LEU 46 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 56.01 56.92 1boc n LEU 46 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 43.42 43.01 1boc n LEU 46 CO 0.00 -0.41 0.00 0.47 0.00 0.00 0.00 177.39 177.45 1boc n ASP 47 N -2.15 0.00 -1.98 1.96 9.92 -1.26 -4.95 116.55 118.10 1boc n ASP 47 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.25 1boc n ASP 47 Cb 0.00 0.22 0.03 0.00 -0.64 0.00 0.00 41.12 40.73 1boc n ASP 47 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1boc n GLU 48 N -2.22 0.75 0.14 -1.24 1.02 -1.26 -4.87 120.64 112.96 1boc n GLU 48 Ca 0.00 -1.95 0.01 0.00 -0.02 0.00 0.00 57.16 55.20 1boc n GLU 48 Cb 0.00 -0.18 0.12 0.00 -0.02 0.00 0.00 31.44 31.36 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 1.16 0.00 0.05 -4.62 5.85 -1.96 0.15 115.31 115.94 1boc h LEU 49 Ca -0.34 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.23 1boc h LEU 49 Cb 1.48 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1boc h LEU 49 CO -0.04 0.59 -0.74 0.15 -0.34 0.00 0.00 178.44 178.06 1boc h PHE 50 N 0.00 0.18 0.01 1.25 3.57 -1.91 -3.13 116.94 116.90 1boc h PHE 50 Ca -0.01 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1boc h PHE 50 Cb 1.25 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1boc h PHE 50 CO 0.00 1.29 -0.09 1.49 -2.23 0.00 0.00 178.31 178.76 1boc h GLU 51 N -0.75 0.05 -0.00 1.11 4.81 -1.72 0.52 114.58 118.59 1boc h GLU 51 Ca -0.17 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1boc h GLU 51 Cb 1.34 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.74 1boc h GLU 51 CO -0.01 0.92 0.00 1.49 -0.73 0.00 0.00 179.01 180.68 1boc h GLU 52 N -0.79 0.00 0.00 1.92 4.57 -0.89 -3.34 114.58 116.05 1boc h GLU 52 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1boc h GLU 52 Cb 0.96 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1boc h GLU 52 CO 0.02 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.13 1boc n LEU 53 N -3.95 0.00 -4.81 1.64 4.77 -1.18 -5.00 117.00 108.47 1boc n LEU 53 Ca -0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.65 1boc n LEU 53 Cb 0.09 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.02 1boc n LEU 53 CO 0.28 -0.24 0.71 -0.62 -1.33 0.00 0.00 177.39 176.20 1boc s ASP 54 N -2.42 4.61 0.00 -1.43 2.15 0.17 -4.98 116.67 114.77 1boc s ASP 54 Ca 0.00 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.33 1boc s ASP 54 Cb 0.00 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1boc s ASP 54 CO 0.00 -1.90 0.00 2.29 -0.17 0.00 0.00 175.17 175.39 1boc n LYS 55 N -3.39 0.00 0.00 4.34 2.85 -1.26 -4.17 118.16 116.53 1boc n LYS 55 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 1boc n LYS 55 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 1boc n LYS 55 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1boc n ASN 56 N 0.00 2.31 -1.49 -5.58 5.15 -1.26 -5.04 115.26 109.35 1boc n ASN 56 Ca 0.00 -0.16 -0.03 0.00 -0.60 0.00 0.00 54.58 53.79 1boc n ASN 56 Cb 0.00 0.78 0.01 0.00 -0.53 0.00 0.00 39.78 40.04 1boc n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1boc n GLY 57 N 1.47 0.38 0.07 8.20 0.00 -1.26 -4.97 105.19 109.08 1boc n GLY 57 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.46 0.69 -0.58 1.61 5.68 -1.26 -4.97 116.55 116.26 1boc n ASP 58 Ca -0.04 -0.85 -0.08 0.00 -0.50 0.00 0.00 54.79 53.33 1boc n ASP 58 Cb 0.53 0.53 -0.03 0.00 -1.14 0.00 0.00 41.12 41.01 1boc n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1boc n GLY 59 N 0.67 0.91 3.27 6.12 0.00 -1.26 -4.97 105.19 109.94 1boc n GLY 59 Ca 0.01 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.34 0.81 0.00 1.61 2.12 -1.26 -4.48 118.70 115.16 1boc s GLU 60 Ca 0.00 -0.37 0.00 0.00 0.36 0.00 0.00 54.97 54.96 1boc s GLU 60 Cb 0.00 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.75 1boc s GLU 60 CO 0.00 -0.25 0.00 1.55 -0.54 0.00 0.00 175.26 176.02 1boc n VAL 61 N 0.75 0.00 -3.97 3.70 3.14 0.30 -4.91 118.33 117.34 1boc n VAL 61 Ca -0.19 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.08 1boc n VAL 61 Cb 0.59 -0.03 -0.03 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 0.93 0.20 0.38 6.55 1.04 -1.26 -3.54 113.70 118.00 1boc s SER 62 Ca 0.00 -1.10 0.26 0.00 0.48 0.00 0.00 55.95 55.59 1boc s SER 62 Cb 0.00 0.67 0.74 0.00 0.10 0.00 0.00 66.02 67.54 1boc s SER 62 CO 0.00 -1.31 1.74 0.15 0.98 0.00 0.00 173.24 174.80 1boc h PHE 63 N 2.14 0.00 -0.31 5.02 3.57 -1.95 -2.31 116.94 123.10 1boc h PHE 63 Ca -0.27 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.15 1boc h PHE 63 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1boc h PHE 63 CO 0.90 0.00 -0.13 1.49 -2.23 0.00 0.00 178.31 178.34 1boc h GLU 64 N 0.00 0.53 -0.02 1.11 4.22 -1.95 -2.58 114.58 115.88 1boc h GLU 64 Ca 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.28 1boc h GLU 64 Cb 0.76 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1boc h GLU 64 CO 0.00 0.65 -0.21 -0.85 -2.18 0.00 0.00 179.01 176.42 1boc n GLU 65 N -4.19 1.62 -0.11 1.92 -0.00 -1.20 -4.08 120.64 114.61 1boc n GLU 65 Ca 0.01 -1.27 0.03 0.00 -0.00 0.00 0.00 57.16 55.93 1boc n GLU 65 Cb 0.33 -1.37 0.09 0.00 -0.00 0.00 0.00 31.44 30.48 1boc n GLU 65 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1boc n PHE 66 N 0.48 0.28 0.09 -1.84 7.35 -0.87 -3.67 117.46 119.27 1boc n PHE 66 Ca 0.10 -0.13 -0.20 0.00 -0.76 0.00 0.00 57.45 56.45 1boc n PHE 66 Cb 0.45 -0.02 -0.15 0.00 0.35 0.00 0.00 39.48 40.11 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 1.10 0.36 -1.22 -4.13 1.08 -1.70 -3.20 115.11 107.39 1boc h GLN 67 Ca 0.00 -0.61 0.35 0.00 -1.45 0.00 0.00 58.65 56.94 1boc h GLN 67 Cb 0.31 0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 1boc h GLN 67 CO 0.01 1.25 0.87 0.28 -0.95 0.00 0.00 178.83 180.30 1boc h VAL 68 N 0.10 0.39 -0.22 -0.54 2.07 -1.87 1.45 116.25 117.62 1boc h VAL 68 Ca -0.26 -0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.09 1boc h VAL 68 Cb 2.07 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1boc h VAL 68 CO 0.20 0.00 -0.51 0.25 0.02 0.00 0.00 177.57 177.53 1boc h LEU 69 N 0.01 0.83 -1.00 2.57 7.12 -1.81 -3.16 115.31 119.88 1boc h LEU 69 Ca 0.58 -0.56 0.42 0.00 0.13 0.00 0.00 57.88 58.45 1boc h LEU 69 Cb 2.32 -0.24 -0.18 0.00 -0.53 0.00 0.00 40.66 42.03 1boc h LEU 69 CO -0.02 1.24 0.54 0.52 -0.13 0.00 0.00 178.44 180.59 1boc n VAL 70 N -4.12 -0.42 -0.25 1.05 0.31 0.50 0.30 118.33 115.70 1boc n VAL 70 Ca -0.06 2.02 -0.06 0.00 -0.01 0.00 0.00 64.34 66.24 1boc n VAL 70 Cb 0.60 -3.29 0.02 0.00 -0.91 0.00 0.00 33.84 30.26 1boc n VAL 70 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1boc n LYS 71 N -5.25 1.31 0.00 5.55 2.85 -1.19 0.03 118.16 121.45 1boc n LYS 71 Ca 0.38 -0.64 0.00 0.00 -1.05 0.00 0.00 58.31 57.00 1boc n LYS 71 Cb 1.28 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 34.41 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 3.86 -0.11 -1.58 4.76 0.87 -4.89 118.16 121.80 1boc n LYS 72 Ca 0.12 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.34 1boc n LYS 72 Cb 0.60 -0.34 -0.07 0.00 -1.84 0.00 0.00 35.03 33.38 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 -0.61 1.41 -0.42 -0.18 2.08 -1.22 -4.53 119.36 115.89 1boc n ILE 73 Ca 0.00 -0.22 0.34 0.00 0.56 0.00 0.00 62.75 63.43 1boc n ILE 73 Cb 0.00 -1.96 0.63 0.00 -0.75 0.00 0.00 39.64 37.57 1boc n ILE 73 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1boc h SER 74 N -0.90 0.26 0.00 4.38 0.87 -1.58 -3.43 113.55 113.15 1boc h SER 74 Ca -0.48 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1boc h SER 74 Cb 1.39 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1boc h SER 74 CO -0.29 -0.10 0.00 1.67 -0.53 0.00 0.00 176.83 177.58