#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 3.30 -3.05 0.03 2.85 -0.88 -4.05 118.16 116.36 1boc n LYS 1 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 1boc n LYS 1 Cb 0.00 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 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 2.28 -3.70 -5.58 3.41 -1.26 -3.82 113.62 104.94 1boc n SER 2 Ca 0.00 -2.12 -0.40 0.00 -0.26 0.00 0.00 58.87 56.09 1boc n SER 2 Cb 0.00 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 63.90 1boc n SER 2 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1boc n PRO 3 N -1.02 0.19 -2.13 4.33 -0.02 -1.26 -3.54 135.00 131.56 1boc n PRO 3 Ca -0.05 -1.22 -0.02 0.00 -2.02 0.00 0.00 63.50 60.18 1boc n PRO 3 Cb 0.35 -2.79 0.01 0.00 -0.02 0.00 0.00 33.50 31.05 1boc n PRO 3 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1boc n GLU 4 N 7.93 -0.81 -0.04 -0.52 1.02 -1.26 -4.99 120.64 121.97 1boc n GLU 4 Ca 0.46 0.12 -0.05 0.00 -0.02 0.00 0.00 57.16 57.67 1boc n GLU 4 Cb 0.43 -2.83 -0.06 0.00 -0.02 0.00 0.00 31.44 28.96 1boc n GLU 4 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1boc n GLU 5 N -1.47 2.01 -0.04 3.49 -0.58 -1.23 -4.66 120.64 118.16 1boc n GLU 5 Ca -0.03 0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.62 1boc n GLU 5 Cb 0.52 -1.22 -0.09 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.04 -1.04 -4.62 6.46 -1.92 -3.25 115.31 110.90 1boc h LEU 6 Ca -0.23 -0.61 0.20 0.00 -0.12 0.00 0.00 57.88 57.12 1boc h LEU 6 Cb 1.48 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.39 1boc h LEU 6 CO -0.00 0.73 1.02 0.50 -0.62 0.00 0.00 178.44 180.07 1boc h LYS 7 N -0.95 0.00 0.63 1.25 3.64 -1.96 -0.83 116.57 118.35 1boc h LYS 7 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1boc h LYS 7 Cb 0.64 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1boc h LYS 7 CO 0.01 0.00 -0.38 0.78 -2.27 0.00 0.00 179.45 177.58 1boc h GLY 8 N 0.00 -1.11 -0.05 5.01 0.00 -1.82 -3.07 103.07 102.02 1boc h GLY 8 Ca 0.33 0.45 0.00 0.00 0.00 0.00 0.00 47.33 48.12 1boc h GLY 8 CO -0.00 -0.38 -0.03 1.19 0.00 0.00 0.00 176.54 177.31 1boc h ILE 9 N -0.94 0.00 0.00 2.60 6.09 -1.34 0.17 117.51 124.09 1boc h ILE 9 Ca -0.08 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 1boc h ILE 9 Cb 0.75 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.04 1boc h ILE 9 CO 0.09 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.66 1boc n PHE 10 N -3.04 0.00 0.18 2.19 3.01 -1.22 0.15 117.46 118.72 1boc n PHE 10 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 1boc n PHE 10 Cb 0.02 0.00 0.37 0.00 -0.01 0.00 0.00 39.48 39.86 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 -1.33 0.80 114.58 118.05 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 -2.90 0.00 0.08 2.33 4.81 0.25 -3.77 118.16 118.96 1boc n LYS 12 Ca 0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.41 1boc n LYS 12 Cb 0.94 -0.19 0.01 0.00 0.02 0.00 0.00 35.03 35.81 1boc n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1boc h TYR 13 N 0.00 0.37 0.00 5.64 0.05 0.15 -1.95 116.97 121.22 1boc h TYR 13 Ca 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1boc h TYR 13 Cb 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1boc h TYR 13 CO 0.00 0.98 0.00 0.00 -1.05 0.00 0.00 178.16 178.09 1boc h ALA 14 N 0.96 1.00 0.00 3.88 0.00 0.95 -0.57 119.26 125.48 1boc h ALA 14 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1boc h ALA 14 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1boc h ALA 14 CO 0.13 0.00 -1.47 -3.47 0.00 0.00 0.00 179.25 174.45 1boc n ASP 15 N -2.65 0.45 0.11 0.00 2.03 -0.56 0.17 116.55 116.09 1boc n ASP 15 Ca -0.01 0.15 0.03 0.00 0.52 0.00 0.00 54.79 55.48 1boc n ASP 15 Cb 0.14 1.18 0.41 0.00 -0.72 0.00 0.00 41.12 42.12 1boc n ASP 15 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1boc h LYS 16 N 0.00 0.27 0.00 -0.67 2.10 -0.36 -1.64 116.57 116.27 1boc h LYS 16 Ca 0.00 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.56 1boc h LYS 16 Cb 0.99 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1boc h LYS 16 CO 0.00 0.36 -0.17 0.93 -2.00 0.00 0.00 179.45 178.57 1boc h GLU 17 N 0.26 0.00 0.00 0.07 4.39 -1.71 -3.46 114.58 114.13 1boc h GLU 17 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1boc h GLU 17 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1boc h GLU 17 CO 0.01 0.17 0.00 0.41 -1.16 0.00 0.00 179.01 178.44 1boc n GLY 18 N 0.92 0.43 0.00 -3.84 0.00 -0.63 -5.07 105.19 97.00 1boc n GLY 18 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.15 -5.00 116.55 111.93 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 1.62 0.94 0.27 0.00 0.44 -4.32 105.19 104.15 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 2.96 -3.89 1.61 5.03 -1.26 -2.14 115.26 117.57 1boc n ASN 21 Ca 0.00 -1.98 -0.09 0.00 0.87 0.00 0.00 54.58 53.37 1boc n ASN 21 Cb 0.00 0.01 -0.08 0.00 -1.02 0.00 0.00 39.78 38.68 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 -2.01 0.73 0.14 3.52 1.11 -1.26 -3.46 119.66 118.44 1boc s GLN 22 Ca 0.28 -0.84 0.00 0.00 0.01 0.00 0.00 55.36 54.81 1boc s GLN 22 Cb 0.20 0.29 -0.00 0.00 -1.01 0.00 0.00 33.01 32.49 1boc s GLN 22 CO 0.30 -0.21 0.01 1.28 0.01 0.00 0.00 175.29 176.68 1boc n LEU 23 N 0.33 0.00 0.00 2.90 4.77 -1.25 -4.26 117.00 119.49 1boc n LEU 23 Ca -0.17 -0.92 -0.10 0.00 -0.03 0.00 0.00 56.01 54.80 1boc n LEU 23 Cb 0.60 0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.82 1boc n LEU 23 CO 0.23 -0.13 0.18 -1.20 -1.33 0.00 0.00 177.39 175.14 1boc n SER 24 N -1.26 -1.15 0.10 -1.43 7.64 -1.26 -0.28 113.62 115.98 1boc n SER 24 Ca -0.05 -2.36 -0.03 0.00 1.01 0.00 0.00 58.87 57.44 1boc n SER 24 Cb 0.18 2.08 0.01 0.00 -1.01 0.00 0.00 64.21 65.48 1boc n SER 24 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1boc h LYS 25 N 0.00 0.00 -0.03 1.43 3.64 -1.97 -2.97 116.57 116.68 1boc h LYS 25 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1boc h LYS 25 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1boc h LYS 25 CO 0.28 0.76 0.00 -0.85 -2.27 0.00 0.00 179.45 177.37 1boc n GLU 26 N -3.43 1.16 0.00 1.90 0.28 -1.26 -3.27 120.64 116.02 1boc n GLU 26 Ca 0.00 -0.25 0.02 0.00 -0.16 0.00 0.00 57.16 56.77 1boc n GLU 26 Cb 0.79 -1.37 -0.01 0.00 1.43 0.00 0.00 31.44 32.28 1boc n GLU 26 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1boc n GLU 27 N -0.59 3.85 0.01 3.44 1.02 -1.13 -4.25 120.64 122.99 1boc n GLU 27 Ca 0.17 -0.23 -0.22 0.00 -0.02 0.00 0.00 57.16 56.86 1boc n GLU 27 Cb 0.14 -0.80 -0.14 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.25 0.44 -0.55 -4.62 5.85 -1.52 -3.21 115.31 111.95 1boc h LEU 28 Ca 0.00 -0.93 0.08 0.00 0.84 0.00 0.00 57.88 57.86 1boc h LEU 28 Cb 0.11 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 1boc h LEU 28 CO 0.00 1.82 0.22 0.50 -0.34 0.00 0.00 178.44 180.64 1boc h LYS 29 N 0.02 0.40 0.00 1.25 3.64 -1.80 0.21 116.57 120.29 1boc h LYS 29 Ca -0.40 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 1boc h LYS 29 Cb 2.00 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1boc h LYS 29 CO 0.09 0.26 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.37 1boc h LEU 30 N 0.41 0.00 0.27 5.20 -0.00 -1.74 -2.01 115.31 117.43 1boc h LEU 30 Ca 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.13 1boc h LEU 30 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1boc h LEU 30 CO -0.26 0.09 -0.13 0.25 -0.00 0.00 0.00 178.44 178.40 1boc h LEU 31 N 0.00 -0.31 0.35 1.67 6.46 -0.58 0.31 115.31 123.21 1boc h LEU 31 Ca -0.00 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1boc h LEU 31 Cb 0.36 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1boc h LEU 31 CO 0.01 -0.21 -0.32 -0.07 -0.62 0.00 0.00 178.44 177.22 1boc h LEU 32 N -0.37 -0.87 -1.54 2.25 4.07 -1.47 0.11 115.31 117.49 1boc h LEU 32 Ca -0.04 0.07 0.17 0.00 0.08 0.00 0.00 57.88 58.17 1boc h LEU 32 Cb 0.28 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1boc h LEU 32 CO 0.06 -0.46 0.76 1.56 -1.08 0.00 0.00 178.44 179.28 1boc h GLN 33 N -0.69 0.00 0.21 1.13 4.20 -1.39 3.09 115.11 121.66 1boc h GLN 33 Ca -0.02 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.36 1boc h GLN 33 Cb 0.62 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.43 1boc h GLN 33 CO -0.05 0.00 -1.48 1.15 -0.67 0.00 0.00 178.83 177.78 1boc h THR 34 N 0.00 1.27 0.00 -0.54 2.02 0.11 -3.38 112.91 112.38 1boc h THR 34 Ca 0.29 -2.75 -0.08 0.00 0.77 0.00 0.00 66.41 64.64 1boc h THR 34 Cb 1.81 2.97 -0.01 0.00 -1.74 0.00 0.00 68.15 71.18 1boc h THR 34 CO -0.00 0.83 -1.13 -0.62 0.37 0.00 0.00 175.52 174.97 1boc n GLU 35 N -3.65 0.11 -3.27 6.66 -0.58 0.24 -4.90 120.64 115.25 1boc n GLU 35 Ca -0.16 0.05 -0.25 0.00 -0.42 0.00 0.00 57.16 56.37 1boc n GLU 35 Cb 1.08 -0.69 -0.07 0.00 -0.57 0.00 0.00 31.44 31.20 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 -3.31 1.74 -0.34 -0.32 3.72 0.97 -4.94 117.46 114.97 1boc n PHE 36 Ca -0.09 -3.87 0.25 0.00 -0.05 0.00 0.00 57.45 53.68 1boc n PHE 36 Cb 0.50 -0.46 0.52 0.00 -0.94 0.00 0.00 39.48 39.11 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 3.91 0.35 -0.99 -1.08 0.11 -0.13 0.16 132.00 134.34 1boc h PRO 37 Ca 0.13 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1boc h PRO 37 Cb 0.76 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1boc h PRO 37 CO 0.65 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 177.54 1boc n SER 38 N -4.67 1.31 -0.02 -2.05 3.41 -1.26 -3.57 113.62 106.76 1boc n SER 38 Ca 0.27 -2.03 0.15 0.00 -0.26 0.00 0.00 58.87 57.00 1boc n SER 38 Cb 0.96 -0.51 0.77 0.00 -0.26 0.00 0.00 64.21 65.17 1boc n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1boc n LEU 39 N 0.05 0.08 0.00 1.04 7.94 0.05 -4.76 117.00 121.40 1boc n LEU 39 Ca 0.01 0.18 -0.22 0.00 -1.11 0.00 0.00 56.01 54.87 1boc n LEU 39 Cb 0.30 -0.21 -0.05 0.00 0.53 0.00 0.00 43.42 43.99 1boc n LEU 39 CO 0.01 0.02 -0.15 0.18 -1.11 0.00 0.00 177.39 176.33 1boc n LEU 40 N -1.17 0.00 -2.79 -1.96 4.77 -1.23 -3.46 117.00 111.16 1boc n LEU 40 Ca 0.16 -2.37 -0.02 0.00 -0.03 0.00 0.00 56.01 53.76 1boc n LEU 40 Cb 0.22 0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1boc n LEU 40 CO 0.22 -0.35 -0.43 0.29 -1.33 0.00 0.00 177.39 175.79 1boc n LYS 41 N -0.83 -3.06 -0.61 3.23 4.76 -1.26 -3.88 118.16 116.51 1boc n LYS 41 Ca -0.11 2.52 0.00 0.00 -2.87 0.00 0.00 58.31 57.85 1boc n LYS 41 Cb 0.47 -4.96 0.00 0.00 -1.84 0.00 0.00 35.03 28.70 1boc n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1boc n GLY 42 N 0.64 0.99 3.35 0.72 0.00 -1.26 -5.00 105.19 104.63 1boc n GLY 42 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.31 1.18 0.56 1.61 -1.94 -1.25 -5.11 119.30 114.04 1boc s MET 43 Ca 0.00 -1.17 0.00 0.00 -1.71 0.00 0.00 55.69 52.81 1boc s MET 43 Cb 0.00 0.39 0.00 0.00 2.01 0.00 0.00 34.83 37.23 1boc s MET 43 CO 0.00 -0.44 0.00 -1.13 -0.01 0.00 0.00 175.02 173.44 1boc n SER 44 N -0.23 -0.18 0.02 3.03 3.41 -1.22 -4.21 113.62 114.24 1boc n SER 44 Ca -0.07 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.52 1boc n SER 44 Cb 0.63 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 1boc n SER 44 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1boc n THR 45 N 0.00 1.08 0.00 6.66 -2.24 -1.26 -4.92 114.28 113.60 1boc n THR 45 Ca 0.00 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1boc n THR 45 Cb 0.00 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.59 1boc n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1boc n LEU 46 N -3.50 0.00 -0.12 3.22 -0.00 -1.26 -4.55 117.00 110.79 1boc n LEU 46 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.75 1boc n LEU 46 Cb 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.43 1boc n LEU 46 CO 0.04 0.00 -1.22 0.47 -0.00 0.00 0.00 177.39 176.67 1boc n ASP 47 N 1.63 1.91 0.00 1.45 8.00 -1.26 -4.31 116.55 123.97 1boc n ASP 47 Ca 0.00 0.33 0.13 0.00 0.71 0.00 0.00 54.79 55.96 1boc n ASP 47 Cb 0.00 -0.78 0.76 0.00 -0.02 0.00 0.00 41.12 41.08 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 -4.28 0.70 0.15 -1.24 2.13 -1.26 -2.11 120.64 114.74 1boc n GLU 48 Ca -0.43 0.01 0.03 0.00 0.66 0.00 0.00 57.16 57.44 1boc n GLU 48 Cb 0.78 -1.50 0.16 0.00 0.27 0.00 0.00 31.44 31.15 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 0.10 4.31 7.12 -1.88 -2.53 115.31 122.43 1boc h LEU 49 Ca 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.84 1boc h LEU 49 Cb 0.07 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.21 1boc h LEU 49 CO 0.00 0.50 -0.83 0.15 -0.13 0.00 0.00 178.44 178.13 1boc h PHE 50 N 0.00 0.37 -0.91 1.25 3.04 -1.63 -3.32 116.94 115.74 1boc h PHE 50 Ca -0.00 -0.27 0.10 0.00 3.98 0.00 0.00 57.97 61.77 1boc h PHE 50 Cb 1.19 -0.01 -0.08 0.00 2.56 0.00 0.00 35.95 39.61 1boc h PHE 50 CO 0.00 1.32 0.55 0.93 -2.02 0.00 0.00 178.31 179.09 1boc h GLU 51 N -0.53 0.88 -1.12 1.11 4.39 -1.53 -0.01 114.58 117.77 1boc h GLU 51 Ca -0.17 -0.05 0.32 0.00 0.34 0.00 0.00 59.36 59.80 1boc h GLU 51 Cb 1.52 -0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.86 1boc h GLU 51 CO 0.07 0.58 0.71 0.93 -1.16 0.00 0.00 179.01 180.15 1boc h GLU 52 N 0.90 0.29 -7.26 2.33 5.08 -1.55 -3.40 114.58 110.97 1boc h GLU 52 Ca 0.44 -0.02 -0.52 0.00 -1.00 0.00 0.00 59.36 58.26 1boc h GLU 52 Cb 0.38 -0.07 0.17 0.00 0.50 0.00 0.00 28.75 29.74 1boc h GLU 52 CO -0.25 0.19 0.29 -0.51 -1.00 0.00 0.00 179.01 177.74 1boc s LEU 53 N -9.66 3.03 0.40 1.33 1.43 -0.02 -4.86 118.68 110.33 1boc s LEU 53 Ca -0.08 2.13 0.13 0.00 -1.03 0.00 0.00 54.13 55.28 1boc s LEU 53 Cb 0.27 -4.56 0.96 0.00 0.03 0.00 0.00 46.19 42.89 1boc s LEU 53 CO 0.80 -2.59 1.89 -0.78 0.23 0.00 0.00 176.35 175.90 1boc h ASP 54 N -1.24 0.50 -4.21 2.29 3.58 -1.85 -3.48 116.42 112.02 1boc h ASP 54 Ca -0.44 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1boc h ASP 54 Cb 1.26 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1boc h ASP 54 CO 0.46 0.25 -0.92 0.29 -2.88 0.00 0.00 179.24 176.44 1boc n LYS 55 N -4.52 -5.07 -0.00 0.28 5.02 -1.26 -4.94 118.16 107.67 1boc n LYS 55 Ca 0.17 3.64 0.03 0.00 -2.02 0.00 0.00 58.31 60.13 1boc n LYS 55 Cb 0.54 -4.05 -0.05 0.00 -0.02 0.00 0.00 35.03 31.45 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 0.72 3.43 -0.41 4.39 6.94 -1.26 -5.03 115.26 124.04 1boc n ASN 56 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1boc n ASN 56 Cb 0.00 1.31 0.00 0.00 -2.36 0.00 0.00 39.78 38.73 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 2.11 0.54 0.32 4.83 0.00 -1.26 -5.00 105.19 106.72 1boc n GLY 57 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.30 0.40 -0.94 1.61 5.75 -1.26 -4.96 116.55 116.85 1boc n ASP 58 Ca 0.00 -1.94 -0.12 0.00 -0.01 0.00 0.00 54.79 52.72 1boc n ASP 58 Cb 0.22 -0.18 -0.05 0.00 -1.03 0.00 0.00 41.12 40.08 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 -0.21 1.30 3.35 6.12 0.00 -1.26 -4.96 105.19 109.52 1boc n GLY 59 Ca 0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.06 1.18 0.00 1.61 2.12 -1.26 -4.48 118.70 114.81 1boc s GLU 60 Ca 0.00 -1.18 0.00 0.00 0.36 0.00 0.00 54.97 54.15 1boc s GLU 60 Cb 0.00 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1boc s GLU 60 CO 0.00 -0.43 0.00 1.55 -0.54 0.00 0.00 175.26 175.84 1boc n VAL 61 N -0.23 0.00 -3.80 3.70 3.14 0.61 -4.49 118.33 117.27 1boc n VAL 61 Ca -0.07 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.23 1boc n VAL 61 Cb 0.63 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.38 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 -0.27 0.35 6.55 1.04 -1.26 -3.78 113.70 117.33 1boc s SER 62 Ca 0.00 -0.56 0.09 0.00 0.48 0.00 0.00 55.95 55.97 1boc s SER 62 Cb 0.00 0.66 0.66 0.00 0.10 0.00 0.00 66.02 67.44 1boc s SER 62 CO 0.00 -1.21 1.82 0.15 0.98 0.00 0.00 173.24 174.98 1boc h PHE 63 N 2.08 0.19 -0.44 5.02 3.57 -1.95 -0.68 116.94 124.73 1boc h PHE 63 Ca -0.24 -0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.35 1boc h PHE 63 Cb 1.26 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1boc h PHE 63 CO 0.38 0.45 0.32 0.93 -2.23 0.00 0.00 178.31 178.16 1boc h GLU 64 N 0.15 0.02 -0.00 1.11 5.08 -1.95 0.71 114.58 119.69 1boc h GLU 64 Ca 0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1boc h GLU 64 Cb 0.60 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1boc h GLU 64 CO 0.04 0.01 -0.56 -0.85 -1.00 0.00 0.00 179.01 176.66 1boc n GLU 65 N -4.41 1.92 -0.03 2.33 0.00 -0.91 -4.19 120.64 115.35 1boc n GLU 65 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 57.16 56.93 1boc n GLU 65 Cb 0.51 -1.23 0.03 0.00 0.00 0.00 0.00 31.44 30.75 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 -0.87 0.09 0.09 -1.84 7.35 0.22 -3.44 117.46 119.06 1boc n PHE 66 Ca 0.04 -0.04 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 1boc n PHE 66 Cb 0.27 -0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.96 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 0.38 0.31 -0.73 -4.13 1.08 -1.68 -2.96 115.11 107.39 1boc h GLN 67 Ca 0.00 -0.53 0.21 0.00 -1.45 0.00 0.00 58.65 56.88 1boc h GLN 67 Cb 0.10 0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1boc h GLN 67 CO 0.00 1.21 0.54 0.28 -0.95 0.00 0.00 178.83 179.91 1boc h VAL 68 N 0.09 0.60 0.06 -0.54 2.07 -1.87 1.14 116.25 117.79 1boc h VAL 68 Ca -0.22 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.06 1boc h VAL 68 Cb 2.03 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1boc h VAL 68 CO 0.19 0.00 -1.11 0.25 0.02 0.00 0.00 177.57 176.92 1boc h LEU 69 N 0.00 0.20 -0.19 2.57 7.12 -1.78 -3.32 115.31 119.90 1boc h LEU 69 Ca 0.35 -0.22 0.05 0.00 0.13 0.00 0.00 57.88 58.19 1boc h LEU 69 Cb 1.42 -0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 41.42 1boc h LEU 69 CO -0.00 1.16 -0.38 0.58 -0.13 0.00 0.00 178.44 179.67 1boc h VAL 70 N 0.04 0.20 0.00 1.05 2.07 0.15 0.30 116.25 120.06 1boc h VAL 70 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1boc h VAL 70 Cb 1.86 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1boc h VAL 70 CO 0.16 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.04 1boc n LYS 71 N -5.42 0.82 0.00 1.57 2.85 -1.08 -2.07 118.16 114.83 1boc n LYS 71 Ca -0.03 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.27 1boc n LYS 71 Cb 0.35 -1.18 -0.05 0.00 -0.65 0.00 0.00 35.03 33.50 1boc n LYS 71 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1boc n LYS 72 N 0.45 4.15 -0.11 -1.58 0.00 0.11 -4.69 118.16 116.48 1boc n LYS 72 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.10 1boc n LYS 72 Cb 0.35 -0.91 -0.08 0.00 0.00 0.00 0.00 35.03 34.39 1boc n LYS 72 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1boc n ILE 73 N -1.20 1.51 0.00 3.15 2.08 -1.11 -4.68 119.36 119.11 1boc n ILE 73 Ca 0.02 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.22 1boc n ILE 73 Cb 0.13 -2.07 0.00 0.00 -0.75 0.00 0.00 39.64 36.95 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 -4.40 0.00 0.00 4.38 2.88 -1.25 -4.80 113.62 110.44 1boc n SER 74 Ca -0.35 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1boc n SER 74 Cb 0.68 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1boc n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81