#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1boc h LYS 1 N 0.00 -0.06 -6.01 2.12 2.10 -1.95 -3.45 116.57 109.32 1boc h LYS 1 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.09 1boc h LYS 1 Cb 0.00 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.30 1boc h LYS 1 CO 0.00 -0.04 -0.30 -1.54 -2.00 0.00 0.00 179.45 175.57 1boc s SER 2 N -2.48 4.70 0.63 7.07 1.04 -1.26 -4.20 113.70 119.21 1boc s SER 2 Ca -0.01 -1.16 0.10 0.00 0.48 0.00 0.00 55.95 55.35 1boc s SER 2 Cb 0.00 0.28 0.52 0.00 0.10 0.00 0.00 66.02 66.92 1boc s SER 2 CO 0.04 -1.06 1.28 -0.65 0.98 0.00 0.00 173.24 173.83 1boc h PRO 3 N 0.75 0.00 0.00 4.02 0.11 -1.96 -3.30 132.00 131.62 1boc h PRO 3 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1boc h PRO 3 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1boc h PRO 3 CO 0.56 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.50 1boc n GLU 4 N -2.56 0.00 0.00 1.05 0.28 -1.26 -4.90 120.64 113.24 1boc n GLU 4 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1boc n GLU 4 Cb 0.78 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.65 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 3.36 -0.17 3.44 1.02 -1.24 -4.47 120.64 122.57 1boc n GLU 5 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1boc n GLU 5 Cb 0.00 -0.67 0.05 0.00 -0.02 0.00 0.00 31.44 30.79 1boc n GLU 5 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1boc h LEU 6 N 0.00 0.41 0.00 -4.62 6.46 -1.94 0.15 115.31 115.77 1boc h LEU 6 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1boc h LEU 6 Cb 0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1boc h LEU 6 CO 0.00 0.28 -0.00 1.17 -0.62 0.00 0.00 178.44 179.27 1boc n LYS 7 N -4.86 0.07 0.09 1.25 4.81 -1.26 -2.57 118.16 115.68 1boc n LYS 7 Ca 0.04 0.05 -0.06 0.00 -0.87 0.00 0.00 58.31 57.47 1boc n LYS 7 Cb 0.12 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.56 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 4.88 0.06 0.00 3.14 0.00 -0.97 -2.92 103.07 107.25 1boc h GLY 8 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1boc h GLY 8 CO 0.00 0.10 -0.16 1.19 0.00 0.00 0.00 176.54 177.67 1boc h ILE 9 N 0.02 0.00 0.00 2.60 -0.00 -1.18 -3.22 117.51 115.73 1boc h ILE 9 Ca -0.02 -0.77 0.00 0.00 -0.00 0.00 0.00 64.86 64.07 1boc h ILE 9 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 38.38 1boc h ILE 9 CO 0.12 0.00 0.00 0.49 -0.00 0.00 0.00 178.15 178.76 1boc n PHE 10 N -4.12 0.00 0.27 2.19 3.01 -1.06 0.39 117.46 118.14 1boc n PHE 10 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.56 1boc n PHE 10 Cb 0.08 -0.30 0.67 0.00 -0.01 0.00 0.00 39.48 39.93 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 4.39 -1.27 1.04 114.58 117.66 1boc h GLU 11 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1boc h GLU 11 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1boc h GLU 11 CO 0.00 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 179.02 1boc n LYS 12 N -2.58 0.00 0.08 2.33 3.00 0.68 -3.67 118.16 117.99 1boc n LYS 12 Ca -0.02 0.05 -0.13 0.00 -0.00 0.00 0.00 58.31 58.21 1boc n LYS 12 Cb 0.32 -0.41 -0.05 0.00 0.00 0.00 0.00 35.03 34.88 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 0.52 0.00 5.64 -1.99 -0.01 -2.66 116.97 118.46 1boc h TYR 13 Ca 0.00 -0.30 -0.00 0.00 2.00 0.00 0.00 58.73 60.43 1boc h TYR 13 Cb 0.00 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 1boc h TYR 13 CO 0.00 1.13 -0.02 0.00 -0.00 0.00 0.00 178.16 179.27 1boc h ALA 14 N 0.77 1.05 0.00 3.88 0.00 0.12 -0.02 119.26 125.06 1boc h ALA 14 Ca -0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1boc h ALA 14 Cb 1.62 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1boc h ALA 14 CO 0.16 0.03 -0.45 0.22 0.00 0.00 0.00 179.25 179.21 1boc h ASP 15 N 0.00 0.00 -0.75 0.00 1.82 -0.98 0.66 116.42 117.18 1boc h ASP 15 Ca -0.00 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.82 1boc h ASP 15 Cb 0.26 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.22 1boc h ASP 15 CO 0.00 0.15 0.51 0.11 -1.61 0.00 0.00 179.24 178.40 1boc h LYS 16 N 0.00 0.24 -1.35 0.28 6.56 -0.72 0.26 116.57 121.84 1boc h LYS 16 Ca -0.01 -0.01 -0.35 0.00 -1.06 0.00 0.00 60.65 59.21 1boc h LYS 16 Cb 1.13 -0.05 -0.16 0.00 -0.57 0.00 0.00 32.23 32.57 1boc h LYS 16 CO 0.02 0.16 0.46 0.39 -2.06 0.00 0.00 179.45 178.41 1boc n GLU 17 N -4.43 1.88 -3.31 3.15 -0.58 -1.23 -4.83 120.64 111.29 1boc n GLU 17 Ca 0.15 -1.77 -0.15 0.00 -0.42 0.00 0.00 57.16 54.96 1boc n GLU 17 Cb 0.64 -1.70 0.05 0.00 -0.57 0.00 0.00 31.44 29.87 1boc n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1boc n GLY 18 N 0.04 -1.16 0.00 0.62 0.00 0.88 -4.84 105.19 100.74 1boc n GLY 18 Ca 0.34 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 -2.81 0.00 0.00 1.61 2.03 -1.07 -5.00 116.55 111.31 1boc n ASP 19 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1boc n ASP 19 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 1.02 0.47 0.27 0.00 0.23 -4.39 105.19 102.79 1boc n GLY 20 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 1.91 -3.80 1.61 3.02 -1.26 -2.43 115.26 114.31 1boc n ASN 21 Ca 0.00 -1.45 -0.11 0.00 -0.03 0.00 0.00 54.58 52.99 1boc n ASN 21 Cb 0.00 0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.95 0.77 0.33 3.52 -0.21 -1.26 -3.67 119.66 117.18 1boc s GLN 22 Ca 0.16 -0.59 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1boc s GLN 22 Cb 0.15 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.48 1boc s GLN 22 CO 0.40 -0.24 0.02 1.28 -2.12 0.00 0.00 175.29 174.64 1boc n LEU 23 N 0.57 0.00 0.00 2.90 4.77 -1.24 -4.36 117.00 119.65 1boc n LEU 23 Ca -0.18 -2.03 -0.06 0.00 -0.03 0.00 0.00 56.01 53.71 1boc n LEU 23 Cb 0.59 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1boc n LEU 23 CO 0.21 -0.31 0.23 -1.20 -1.33 0.00 0.00 177.39 175.00 1boc n SER 24 N -1.26 -1.13 0.16 -1.43 7.64 -1.26 -1.19 113.62 115.15 1boc n SER 24 Ca -0.12 -1.98 0.06 0.00 1.01 0.00 0.00 58.87 57.83 1boc n SER 24 Cb 0.41 1.95 0.07 0.00 -1.01 0.00 0.00 64.21 65.62 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 0.00 1.43 3.64 -1.97 -2.59 116.57 117.07 1boc h LYS 25 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1boc h LYS 25 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1boc h LYS 25 CO 0.23 0.33 0.00 0.39 -2.27 0.00 0.00 179.45 178.14 1boc n GLU 26 N -3.17 0.12 -0.00 1.90 -0.58 -1.26 -3.15 120.64 114.50 1boc n GLU 26 Ca 0.02 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1boc n GLU 26 Cb 0.67 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 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 -1.44 -0.51 0.01 3.49 -0.58 -1.18 -4.49 120.64 115.95 1boc n GLU 27 Ca 0.09 -0.65 -0.01 0.00 -0.42 0.00 0.00 57.16 56.17 1boc n GLU 27 Cb 0.30 -1.02 -0.10 0.00 -0.57 0.00 0.00 31.44 30.05 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 -0.00 0.75 0.19 -4.62 7.94 -0.99 -2.99 117.00 117.29 1boc n LEU 28 Ca 0.01 0.33 -0.14 0.00 -1.11 0.00 0.00 56.01 55.09 1boc n LEU 28 Cb 0.04 0.12 -0.08 0.00 0.53 0.00 0.00 43.42 44.03 1boc n LEU 28 CO 0.01 0.19 0.65 0.50 -1.11 0.00 0.00 177.39 177.63 1boc h LYS 29 N 0.00 -0.45 0.00 1.96 3.64 -1.78 -0.23 116.57 119.71 1boc h LYS 29 Ca -0.20 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1boc h LYS 29 Cb 1.66 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1boc h LYS 29 CO 0.05 -0.20 0.00 -0.07 -2.27 0.00 0.00 179.45 176.95 1boc h LEU 30 N -0.64 0.00 0.72 5.20 3.38 -1.79 -1.75 115.31 120.44 1boc h LEU 30 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1boc h LEU 30 Cb 0.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1boc h LEU 30 CO 0.08 0.00 -0.35 0.25 0.09 0.00 0.00 178.44 178.51 1boc h LEU 31 N 0.00 -0.82 -0.03 1.67 7.12 -1.08 -0.14 115.31 122.02 1boc h LEU 31 Ca 0.00 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.02 1boc h LEU 31 Cb 0.19 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 1boc h LEU 31 CO 0.00 -0.48 -0.08 -0.07 -0.13 0.00 0.00 178.44 177.68 1boc h LEU 32 N -1.17 -0.25 -1.35 2.25 4.07 -0.22 0.27 115.31 118.91 1boc h LEU 32 Ca -0.10 0.03 0.46 0.00 0.08 0.00 0.00 57.88 58.35 1boc h LEU 32 Cb 0.77 0.10 -0.13 0.00 1.08 0.00 0.00 40.66 42.48 1boc h LEU 32 CO 0.16 -0.06 0.88 0.00 -1.08 0.00 0.00 178.44 178.34 1boc n GLN 33 N -3.01 -0.03 -0.35 1.13 6.02 -0.56 0.41 117.38 120.99 1boc n GLN 33 Ca -0.01 1.17 0.03 0.00 -0.01 0.00 0.00 57.00 58.18 1boc n GLN 33 Cb 0.05 -2.34 0.10 0.00 1.02 0.00 0.00 30.24 29.07 1boc n GLN 33 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1boc h THR 34 N 0.00 0.04 0.00 5.09 2.02 0.15 -3.27 112.91 116.94 1boc h THR 34 Ca 0.84 0.00 0.00 0.00 0.77 0.00 0.00 66.41 68.02 1boc h THR 34 Cb 2.76 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1boc h THR 34 CO -0.40 0.00 -0.84 -0.62 0.37 0.00 0.00 175.52 174.03 1boc n GLU 35 N -5.55 1.20 -2.81 6.66 1.02 0.61 -4.88 120.64 116.88 1boc n GLU 35 Ca 0.13 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1boc n GLU 35 Cb 0.45 -0.92 0.01 0.00 -0.02 0.00 0.00 31.44 30.96 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 -2.13 2.40 0.13 -0.32 3.72 1.35 -4.85 117.46 117.76 1boc n PHE 36 Ca 0.00 -2.62 0.15 0.00 -0.05 0.00 0.00 57.45 54.93 1boc n PHE 36 Cb 0.42 -1.42 0.44 0.00 -0.94 0.00 0.00 39.48 37.97 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 5.45 0.00 -5.82 -1.08 0.11 -1.64 -1.48 132.00 127.54 1boc h PRO 37 Ca 0.26 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.83 1boc h PRO 37 Cb 0.60 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.64 1boc h PRO 37 CO 1.41 0.00 1.66 -1.54 -0.21 0.00 0.00 178.00 179.32 1boc s SER 38 N -3.85 6.21 -1.23 -2.05 1.04 -1.26 -4.69 113.70 107.87 1boc s SER 38 Ca -0.02 -1.88 -0.17 0.00 0.48 0.00 0.00 55.95 54.35 1boc s SER 38 Cb 0.09 -2.58 0.10 0.00 0.10 0.00 0.00 66.02 63.73 1boc s SER 38 CO 0.29 -1.82 1.60 -0.76 0.98 0.00 0.00 173.24 173.53 1boc s LEU 39 N 6.45 4.19 0.08 2.42 1.02 -1.23 -4.78 118.68 126.83 1boc s LEU 39 Ca 0.57 -2.47 0.00 0.00 0.02 0.00 0.00 54.13 52.25 1boc s LEU 39 Cb 0.01 -2.52 0.00 0.00 0.02 0.00 0.00 46.19 43.70 1boc s LEU 39 CO 0.04 -1.09 0.00 0.18 0.02 0.00 0.00 176.35 175.51 1boc n LEU 40 N 7.62 -6.48 0.00 1.79 4.77 -1.26 -5.04 117.00 118.40 1boc n LEU 40 Ca 0.43 2.99 0.00 0.00 -0.03 0.00 0.00 56.01 59.40 1boc n LEU 40 Cb 0.46 -3.23 0.00 0.00 -2.33 0.00 0.00 43.42 38.32 1boc n LEU 40 CO 0.71 -2.56 0.00 0.29 -1.33 0.00 0.00 177.39 174.49 1boc n LYS 41 N 1.86 0.00 0.00 3.23 5.02 -1.26 -4.79 118.16 122.21 1boc n LYS 41 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1boc n LYS 41 Cb 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 35.03 35.48 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 1.24 -0.69 0.05 0.72 0.00 -1.26 -2.60 105.19 102.66 1boc n GLY 42 Ca 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.14 1.22 -2.94 1.61 2.81 -1.26 -4.96 117.12 112.46 1boc n MET 43 Ca 0.10 0.04 -0.19 0.00 -1.81 0.00 0.00 57.70 55.84 1boc n MET 43 Cb 0.10 -1.22 -0.04 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.62 -1.01 0.00 7.83 3.41 -1.07 -4.65 113.62 115.52 1boc n SER 44 Ca -0.17 -0.45 0.07 0.00 -0.26 0.00 0.00 58.87 58.05 1boc n SER 44 Cb 0.74 -0.91 0.31 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.42 0.87 0.76 6.66 -1.04 -1.26 -1.60 114.28 116.26 1boc n THR 45 Ca 0.05 0.22 0.10 0.00 -2.04 0.00 0.00 64.05 62.38 1boc n THR 45 Cb 0.30 -0.99 0.46 0.00 -1.82 0.00 0.00 70.33 68.28 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 -1.40 0.00 -0.08 -4.42 7.94 -1.26 -2.72 117.00 115.06 1boc n LEU 46 Ca 0.05 0.49 -0.14 0.00 -1.11 0.00 0.00 56.01 55.30 1boc n LEU 46 Cb 0.13 -0.49 -0.05 0.00 0.53 0.00 0.00 43.42 43.54 1boc n LEU 46 CO 0.11 -0.13 0.53 0.44 -1.11 0.00 0.00 177.39 177.23 1boc h ASP 47 N 0.00 0.72 0.46 1.96 5.19 -1.65 -1.02 116.42 122.08 1boc h ASP 47 Ca 0.00 -0.50 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1boc h ASP 47 Cb 0.36 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1boc h ASP 47 CO 0.00 1.08 0.00 1.21 -3.12 0.00 0.00 179.24 178.41 1boc n GLU 48 N -4.26 0.20 0.17 3.56 2.13 -1.10 -1.03 120.64 120.30 1boc n GLU 48 Ca -0.05 0.12 0.05 0.00 0.66 0.00 0.00 57.16 57.94 1boc n GLU 48 Cb 0.50 -1.50 0.18 0.00 0.27 0.00 0.00 31.44 30.88 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 0.07 4.31 5.85 -1.17 -2.01 115.31 122.37 1boc h LEU 49 Ca 0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 1boc h LEU 49 Cb 0.23 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.29 1boc h LEU 49 CO 0.00 0.42 -1.08 0.15 -0.34 0.00 0.00 178.44 177.58 1boc h PHE 50 N 0.00 0.96 0.00 1.25 3.57 -0.84 -3.13 116.94 118.75 1boc h PHE 50 Ca -0.00 -0.57 -0.06 0.00 3.53 0.00 0.00 57.97 60.86 1boc h PHE 50 Cb 1.15 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1boc h PHE 50 CO 0.00 1.41 -0.31 1.49 -2.23 0.00 0.00 178.31 178.67 1boc h GLU 51 N 0.24 0.00 0.00 1.11 4.22 -1.48 0.95 114.58 119.62 1boc h GLU 51 Ca -0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1boc h GLU 51 Cb 1.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1boc h GLU 51 CO 0.21 0.31 0.00 0.39 -2.18 0.00 0.00 179.01 177.74 1boc n GLU 52 N -3.71 0.28 -0.18 1.92 1.02 -0.76 -3.13 120.64 116.08 1boc n GLU 52 Ca -0.01 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1boc n GLU 52 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1boc n GLU 52 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1boc n LEU 53 N -1.26 0.00 -4.82 -4.62 -0.00 -0.55 -4.93 117.00 100.81 1boc n LEU 53 Ca 0.09 -0.47 -0.33 0.00 -0.00 0.00 0.00 56.01 55.30 1boc n LEU 53 Cb 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.50 1boc n LEU 53 CO 0.13 0.29 0.66 -0.62 -0.00 0.00 0.00 177.39 177.86 1boc s ASP 54 N -0.24 6.80 0.00 1.45 2.15 0.32 -4.73 116.67 122.42 1boc s ASP 54 Ca 0.00 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.68 1boc s ASP 54 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1boc s ASP 54 CO 0.00 -0.46 0.00 0.29 -0.17 0.00 0.00 175.17 174.83 1boc n LYS 55 N -0.86 0.00 0.00 4.34 4.76 -1.26 -4.98 118.16 120.16 1boc n LYS 55 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1boc n LYS 55 Cb 0.54 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 1boc n LYS 55 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1boc n ASN 56 N -0.92 0.00 -2.66 4.39 6.94 -1.26 -5.04 115.26 116.70 1boc n ASN 56 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.52 1boc n ASN 56 Cb 0.00 -0.05 0.01 0.00 -2.36 0.00 0.00 39.78 37.38 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 3.20 -0.43 0.03 4.83 0.00 -1.26 -4.97 105.19 106.58 1boc n GLY 57 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.49 0.44 0.00 1.61 9.92 -1.26 -4.99 116.55 121.78 1boc n ASP 58 Ca -0.23 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.31 1boc n ASP 58 Cb 0.68 0.91 0.00 0.00 -0.64 0.00 0.00 41.12 42.07 1boc n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1boc n GLY 59 N 1.10 0.50 3.04 0.44 0.00 -1.26 -5.05 105.19 103.96 1boc n GLY 59 Ca 0.02 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.75 0.48 0.00 1.61 2.12 -1.26 -3.50 118.70 115.40 1boc s GLU 60 Ca 0.00 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1boc s GLU 60 Cb 0.00 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.23 1boc s GLU 60 CO 0.00 0.01 0.00 1.33 -0.54 0.00 0.00 175.26 176.06 1boc n VAL 61 N 1.41 0.00 -4.17 3.70 0.24 -0.33 -4.27 118.33 114.91 1boc n VAL 61 Ca -0.23 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.93 1boc n VAL 61 Cb 0.55 -0.05 -0.05 0.00 -1.47 0.00 0.00 33.84 32.81 1boc n VAL 61 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1boc n SER 62 N -0.11 -0.67 0.06 -1.34 3.41 -1.26 -3.68 113.62 110.03 1boc n SER 62 Ca 0.00 -2.69 -0.05 0.00 -0.26 0.00 0.00 58.87 55.88 1boc n SER 62 Cb 0.00 1.47 -0.09 0.00 -0.26 0.00 0.00 64.21 65.33 1boc n SER 62 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1boc h PHE 63 N 1.84 0.00 0.00 7.33 3.57 -1.96 0.13 116.94 127.85 1boc h PHE 63 Ca -0.19 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.23 1boc h PHE 63 Cb 0.95 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1boc h PHE 63 CO 0.00 0.86 -0.40 1.49 -2.23 0.00 0.00 178.31 178.03 1boc h GLU 64 N 0.00 0.00 0.00 1.11 4.57 -1.96 -3.14 114.58 115.16 1boc h GLU 64 Ca -0.07 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.89 1boc h GLU 64 Cb 1.72 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.27 1boc h GLU 64 CO 0.10 0.40 -2.03 -1.91 -1.18 0.00 0.00 179.01 174.39 1boc n GLU 65 N -3.43 0.66 0.00 1.92 4.07 -1.21 -4.01 120.64 118.64 1boc n GLU 65 Ca 0.00 0.01 0.03 0.00 -0.06 0.00 0.00 57.16 57.14 1boc n GLU 65 Cb 0.56 -1.60 0.15 0.00 -0.06 0.00 0.00 31.44 30.50 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 -2.66 0.00 0.11 4.31 7.35 0.46 -3.01 117.46 124.02 1boc n PHE 66 Ca -0.19 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.30 1boc n PHE 66 Cb 0.92 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.61 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 0.38 -0.69 -4.13 1.08 -1.69 -2.92 115.11 107.14 1boc h GLN 67 Ca 0.00 -0.65 0.20 0.00 -1.45 0.00 0.00 58.65 56.75 1boc h GLN 67 Cb 0.00 0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1boc h GLN 67 CO 0.00 1.29 0.57 0.28 -0.95 0.00 0.00 178.83 180.02 1boc h VAL 68 N 0.10 0.48 0.00 -0.54 2.07 -1.82 0.96 116.25 117.50 1boc h VAL 68 Ca -0.23 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.07 1boc h VAL 68 Cb 2.07 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1boc h VAL 68 CO 0.22 0.00 -1.41 0.25 0.02 0.00 0.00 177.57 176.65 1boc h LEU 69 N 0.00 0.00 -0.98 2.57 6.46 -1.79 -3.34 115.31 118.23 1boc h LEU 69 Ca 0.33 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.12 1boc h LEU 69 Cb 1.46 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.34 1boc h LEU 69 CO -0.00 0.79 0.64 0.58 -0.62 0.00 0.00 178.44 179.83 1boc h VAL 70 N 0.00 1.17 -0.04 1.05 2.07 0.12 0.22 116.25 120.83 1boc h VAL 70 Ca -0.18 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1boc h VAL 70 Cb 1.76 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1boc h VAL 70 CO 0.07 0.23 0.00 2.29 0.02 0.00 0.00 177.57 180.18 1boc n LYS 71 N -4.46 1.15 -0.10 1.57 2.85 -0.88 -2.67 118.16 115.63 1boc n LYS 71 Ca 0.13 -0.17 0.07 0.00 -1.05 0.00 0.00 58.31 57.29 1boc n LYS 71 Cb 0.10 -1.23 0.12 0.00 -0.65 0.00 0.00 35.03 33.36 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 -0.21 1.80 0.01 -1.58 4.01 0.78 -4.70 118.16 118.27 1boc n LYS 72 Ca 0.02 -1.70 0.00 0.00 -0.51 0.00 0.00 58.31 56.11 1boc n LYS 72 Cb 0.14 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 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 0.72 0.22 -0.51 -0.18 2.08 -1.09 -4.78 119.36 115.83 1boc n ILE 73 Ca 0.11 0.07 0.42 0.00 0.56 0.00 0.00 62.75 63.91 1boc n ILE 73 Cb 0.39 -1.36 0.69 0.00 -0.75 0.00 0.00 39.64 38.61 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 -3.05 0.16 0.00 4.38 3.41 -1.23 -4.95 113.62 112.35 1boc n SER 74 Ca 0.00 1.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1boc n SER 74 Cb 0.33 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1boc n SER 74 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55