#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 0.60 -1.14 0.03 2.85 -1.26 -4.79 118.16 114.44 1boc n LYS 1 Ca 0.00 -0.15 -0.00 0.00 -1.05 0.00 0.00 58.31 57.11 1boc n LYS 1 Cb 0.00 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 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 -2.15 -0.09 -4.03 -5.58 3.41 -1.26 -2.75 113.62 101.16 1boc n SER 2 Ca -0.05 -1.06 -0.17 0.00 -0.26 0.00 0.00 58.87 57.32 1boc n SER 2 Cb 0.51 0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.53 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 -0.02 0.03 -2.64 4.33 -0.02 -1.26 -3.30 135.00 132.11 1boc n PRO 3 Ca -0.00 -0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 60.56 1boc n PRO 3 Cb 0.02 -2.35 0.04 0.00 -0.02 0.00 0.00 33.50 31.20 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 6.45 -1.45 0.00 -0.52 1.02 -1.26 -4.97 120.64 119.91 1boc n GLU 4 Ca 0.26 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1boc n GLU 4 Cb 0.42 -4.34 0.00 0.00 -0.02 0.00 0.00 31.44 27.50 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 -2.59 2.22 -0.07 3.49 0.00 -1.21 -4.75 120.64 117.72 1boc n GLU 5 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.01 1boc n GLU 5 Cb 0.58 -0.76 -0.07 0.00 0.00 0.00 0.00 31.44 31.18 1boc n GLU 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1boc h LEU 6 N 0.00 0.00 -1.57 4.31 5.85 -1.87 -3.19 115.31 118.84 1boc h LEU 6 Ca 0.00 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.38 1boc h LEU 6 Cb 0.44 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1boc h LEU 6 CO 0.00 0.94 0.57 0.50 -0.34 0.00 0.00 178.44 180.11 1boc h LYS 7 N -1.00 0.00 -0.05 1.25 3.64 -1.90 0.44 116.57 118.95 1boc h LYS 7 Ca -0.08 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1boc h LYS 7 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1boc h LYS 7 CO -0.05 0.00 -0.11 0.78 -2.27 0.00 0.00 179.45 177.80 1boc h GLY 8 N 0.00 0.18 0.02 5.01 0.00 -1.85 -2.78 103.07 103.64 1boc h GLY 8 Ca 0.11 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.31 1boc h GLY 8 CO -0.00 0.19 -0.20 1.19 0.00 0.00 0.00 176.54 177.72 1boc h ILE 9 N -0.34 0.41 0.40 2.60 6.09 -0.10 0.23 117.51 126.81 1boc h ILE 9 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 1boc h ILE 9 Cb 0.69 0.41 -0.02 0.00 0.47 0.00 0.00 36.82 38.37 1boc h ILE 9 CO 0.02 0.00 -0.42 -0.26 -3.07 0.00 0.00 178.15 174.42 1boc h PHE 10 N -0.13 -1.16 0.00 2.19 -1.00 -1.54 0.10 116.94 115.40 1boc h PHE 10 Ca 0.19 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.98 1boc h PHE 10 Cb 0.43 0.45 0.00 0.00 3.61 0.00 0.00 35.95 40.44 1boc h PHE 10 CO -0.43 -0.55 0.00 0.39 -1.61 0.00 0.00 178.31 176.10 1boc n GLU 11 N -4.95 0.00 0.00 1.51 -0.58 -0.99 0.11 120.64 115.74 1boc n GLU 11 Ca -0.10 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 1boc n GLU 11 Cb 0.38 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1boc n GLU 11 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1boc n LYS 12 N -1.44 0.00 0.11 3.49 3.00 0.78 -3.76 118.16 120.34 1boc n LYS 12 Ca 0.00 0.03 -0.18 0.00 -0.00 0.00 0.00 58.31 58.15 1boc n LYS 12 Cb 0.00 -0.40 -0.14 0.00 0.00 0.00 0.00 35.03 34.49 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 0.61 0.00 5.64 0.05 -1.07 -1.19 116.97 121.02 1boc h TYR 13 Ca 0.00 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1boc h TYR 13 Cb 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1boc h TYR 13 CO 0.00 1.36 0.00 0.00 -1.05 0.00 0.00 178.16 178.47 1boc n ALA 14 N -2.59 1.41 0.21 3.88 0.00 0.30 -2.13 120.51 121.59 1boc n ALA 14 Ca -0.11 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1boc n ALA 14 Cb 1.05 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 1boc n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1boc n ASP 15 N -1.98 1.57 -0.34 0.00 -0.08 -0.73 0.31 116.55 115.30 1boc n ASP 15 Ca 0.01 -0.29 0.16 0.00 -1.51 0.00 0.00 54.79 53.16 1boc n ASP 15 Cb 0.13 1.35 0.38 0.00 2.34 0.00 0.00 41.12 45.33 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 0.00 0.61 -0.98 -0.67 2.10 -0.68 -3.39 116.57 113.57 1boc h LYS 16 Ca 0.00 -0.04 0.04 0.00 -2.00 0.00 0.00 60.65 58.65 1boc h LYS 16 Cb 0.46 -0.14 -0.21 0.00 -0.90 0.00 0.00 32.23 31.44 1boc h LYS 16 CO 0.00 0.41 -0.36 -1.83 -2.00 0.00 0.00 179.45 175.66 1boc s GLU 17 N -5.74 0.55 0.00 0.07 -1.05 -1.26 -4.96 118.70 106.30 1boc s GLU 17 Ca -0.10 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 55.28 1boc s GLU 17 Cb 0.25 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 1boc s GLU 17 CO 0.80 -1.00 0.00 0.41 0.95 0.00 0.00 175.26 176.42 1boc n GLY 18 N 5.41 4.46 0.00 -3.83 0.00 -1.26 -4.97 105.19 105.00 1boc n GLY 18 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.05 -4.97 116.55 114.17 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 1.30 1.59 0.27 0.00 0.93 -4.12 105.19 105.16 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 4.87 -3.67 1.61 3.02 -1.26 -2.44 115.26 117.39 1boc n ASN 21 Ca 0.00 -2.54 -0.11 0.00 -0.03 0.00 0.00 54.58 51.90 1boc n ASN 21 Cb 0.00 -0.59 -0.09 0.00 -0.61 0.00 0.00 39.78 38.49 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 -2.02 0.61 0.17 3.52 1.11 -1.26 -3.28 119.66 118.50 1boc s GLN 22 Ca 0.51 0.90 0.02 0.00 0.01 0.00 0.00 55.36 56.80 1boc s GLN 22 Cb 0.34 0.19 0.02 0.00 -1.01 0.00 0.00 33.01 32.55 1boc s GLN 22 CO 0.22 -0.12 0.16 1.28 0.01 0.00 0.00 175.29 176.84 1boc n LEU 23 N 3.53 0.00 0.00 2.90 4.77 -1.16 -4.52 117.00 122.52 1boc n LEU 23 Ca -0.18 -0.87 -0.08 0.00 -0.03 0.00 0.00 56.01 54.85 1boc n LEU 23 Cb 0.57 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1boc n LEU 23 CO 0.05 -0.41 0.14 -1.20 -1.33 0.00 0.00 177.39 174.65 1boc n SER 24 N -2.15 -0.92 0.11 -1.43 7.64 -1.26 0.11 113.62 115.72 1boc n SER 24 Ca 0.01 -2.10 -0.03 0.00 1.01 0.00 0.00 58.87 57.76 1boc n SER 24 Cb 0.19 1.67 0.04 0.00 -1.01 0.00 0.00 64.21 65.10 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 -1.96 -2.79 116.57 116.86 1boc h LYS 25 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1boc h LYS 25 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1boc h LYS 25 CO 0.23 0.76 0.00 -0.85 -2.27 0.00 0.00 179.45 177.32 1boc n GLU 26 N -3.53 1.09 0.00 1.90 0.28 -1.26 -3.15 120.64 115.97 1boc n GLU 26 Ca -0.00 -0.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 1boc n GLU 26 Cb 0.76 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 32.43 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 -0.55 1.30 -0.11 3.44 1.02 -1.07 -4.49 120.64 120.18 1boc n GLU 27 Ca 0.09 -0.93 -0.24 0.00 -0.02 0.00 0.00 57.16 56.06 1boc n GLU 27 Cb 0.07 -0.77 -0.11 0.00 -0.02 0.00 0.00 31.44 30.61 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 -0.23 2.28 -0.17 -4.62 7.94 -1.12 -2.70 117.00 118.38 1boc n LEU 28 Ca 0.00 0.22 -0.04 0.00 -1.11 0.00 0.00 56.01 55.07 1boc n LEU 28 Cb 0.32 -0.91 0.05 0.00 0.53 0.00 0.00 43.42 43.42 1boc n LEU 28 CO 0.00 0.65 1.03 0.50 -1.11 0.00 0.00 177.39 178.46 1boc h LYS 29 N -0.62 0.52 0.00 1.96 3.64 -1.85 0.48 116.57 120.70 1boc h LYS 29 Ca -0.58 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1boc h LYS 29 Cb 1.68 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1boc h LYS 29 CO -0.24 0.34 0.00 1.37 -2.27 0.00 0.00 179.45 178.65 1boc h LEU 30 N 0.54 0.00 0.00 5.20 -0.00 -1.79 -0.87 115.31 118.39 1boc h LEU 30 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 1boc h LEU 30 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1boc h LEU 30 CO -0.14 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.19 1boc n LEU 31 N -2.88 0.05 0.17 0.17 0.00 0.16 -1.49 117.00 113.18 1boc n LEU 31 Ca 0.02 0.83 0.13 0.00 0.00 0.00 0.00 56.01 57.00 1boc n LEU 31 Cb 0.37 -0.36 0.50 0.00 0.00 0.00 0.00 43.42 43.93 1boc n LEU 31 CO 0.28 -0.36 0.89 0.17 0.00 0.00 0.00 177.39 178.37 1boc h LEU 32 N 0.00 0.00 0.21 -1.96 -0.00 -1.35 -3.18 115.31 109.02 1boc h LEU 32 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.57 1boc h LEU 32 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.69 1boc h LEU 32 CO 0.00 0.00 -1.41 1.56 -0.00 0.00 0.00 178.44 178.59 1boc h GLN 33 N 0.00 0.44 0.00 0.17 4.20 -1.17 2.66 115.11 121.42 1boc h GLN 33 Ca 0.00 -0.76 -0.00 0.00 0.06 0.00 0.00 58.65 57.95 1boc h GLN 33 Cb 0.50 0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1boc h GLN 33 CO 0.00 1.36 -0.02 1.15 -0.67 0.00 0.00 178.83 180.65 1boc h THR 34 N 0.00 0.16 0.00 -0.54 2.02 -1.28 -3.30 112.91 109.98 1boc h THR 34 Ca -0.26 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1boc h THR 34 Cb 2.03 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1boc h THR 34 CO 0.22 0.02 -0.05 -0.62 0.37 0.00 0.00 175.52 175.46 1boc n GLU 35 N -3.27 0.03 -3.31 6.66 1.02 -1.19 -4.95 120.64 115.63 1boc n GLU 35 Ca -0.02 0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1boc n GLU 35 Cb 0.16 -0.28 -0.07 0.00 -0.02 0.00 0.00 31.44 31.22 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 -2.93 1.96 0.31 -0.32 3.01 0.56 -4.92 117.46 115.12 1boc n PHE 36 Ca -0.01 -3.90 0.06 0.00 1.01 0.00 0.00 57.45 54.61 1boc n PHE 36 Cb 0.03 -0.47 0.34 0.00 -0.01 0.00 0.00 39.48 39.37 1boc n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1boc h PRO 37 N 4.03 0.00 -0.36 -1.08 0.11 0.37 -0.35 132.00 134.73 1boc h PRO 37 Ca 0.14 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.28 1boc h PRO 37 Cb 0.75 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 1boc h PRO 37 CO 0.68 0.00 0.17 0.66 -0.21 0.00 0.00 178.00 179.30 1boc h SER 38 N 0.00 0.25 0.00 -2.05 4.64 -1.92 -3.31 113.55 111.16 1boc h SER 38 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1boc h SER 38 Cb 1.36 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1boc h SER 38 CO 0.00 0.19 0.00 0.18 -0.87 0.00 0.00 176.83 176.33 1boc n LEU 39 N -4.94 0.00 -4.54 5.97 4.32 -0.14 -3.60 117.00 114.07 1boc n LEU 39 Ca 0.01 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.61 1boc n LEU 39 Cb 0.09 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.83 1boc n LEU 39 CO 0.30 0.00 2.05 0.18 -1.22 0.00 0.00 177.39 178.70 1boc n LEU 40 N 0.00 1.96 -0.29 2.23 7.99 -1.25 -4.73 117.00 122.91 1boc n LEU 40 Ca 0.00 -0.28 0.01 0.00 -0.01 0.00 0.00 56.01 55.73 1boc n LEU 40 Cb 0.00 -1.43 0.03 0.00 -0.11 0.00 0.00 43.42 41.91 1boc n LEU 40 CO 0.00 -1.31 0.44 0.29 -1.51 0.00 0.00 177.39 175.30 1boc n LYS 41 N 8.84 1.21 -0.08 3.23 5.02 -1.24 -4.80 118.16 130.35 1boc n LYS 41 Ca 0.43 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1boc n LYS 41 Cb 0.42 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.40 2.61 3.35 0.72 0.00 -1.26 -4.96 105.19 106.05 1boc n GLY 42 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.08 1.14 0.00 1.61 1.00 -1.26 -4.95 119.30 116.76 1boc s MET 43 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 55.69 54.64 1boc s MET 43 Cb 0.00 0.41 0.00 0.00 0.00 0.00 0.00 34.83 35.24 1boc s MET 43 CO 0.00 -0.43 0.00 -1.13 0.00 0.00 0.00 175.02 173.46 1boc n SER 44 N -0.21 0.00 -4.57 3.03 3.41 -1.26 -4.86 113.62 109.16 1boc n SER 44 Ca -0.10 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.25 1boc n SER 44 Cb 0.63 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 1boc n SER 44 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1boc s THR 45 N 0.00 2.29 0.00 6.66 -4.23 -1.26 -4.70 115.64 114.40 1boc s THR 45 Ca 0.00 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1boc s THR 45 Cb 0.00 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1boc s THR 45 CO 0.00 -0.19 0.00 -0.11 -0.54 0.00 0.00 174.62 173.78 1boc n LEU 46 N -0.84 0.00 -0.07 4.79 7.94 -1.26 -4.68 117.00 122.89 1boc n LEU 46 Ca -0.05 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.71 1boc n LEU 46 Cb 0.64 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.54 1boc n LEU 46 CO 0.44 0.00 -0.93 0.47 -1.11 0.00 0.00 177.39 176.26 1boc n ASP 47 N 0.00 1.10 0.25 1.96 9.92 -1.26 -4.18 116.55 124.34 1boc n ASP 47 Ca 0.00 0.19 0.13 0.00 -0.53 0.00 0.00 54.79 54.58 1boc n ASP 47 Cb 0.00 -0.45 0.61 0.00 -0.64 0.00 0.00 41.12 40.64 1boc n ASP 47 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1boc h GLU 48 N -0.53 0.00 0.00 -1.24 4.11 -1.90 0.57 114.58 115.58 1boc h GLU 48 Ca -0.33 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.04 1boc h GLU 48 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1boc h GLU 48 CO -0.20 0.12 -0.29 1.25 0.07 0.00 0.00 179.01 179.97 1boc h LEU 49 N 0.00 0.00 0.16 3.06 5.85 -1.92 -1.18 115.31 121.29 1boc h LEU 49 Ca -0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 1boc h LEU 49 Cb 0.57 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.62 1boc h LEU 49 CO 0.02 0.29 -1.17 0.15 -0.34 0.00 0.00 178.44 177.39 1boc h PHE 50 N 0.00 0.63 0.00 1.25 3.04 -1.10 -3.30 116.94 117.45 1boc h PHE 50 Ca -0.00 -0.46 -0.06 0.00 3.98 0.00 0.00 57.97 61.43 1boc h PHE 50 Cb 0.92 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 1boc h PHE 50 CO 0.00 1.45 -0.28 1.49 -2.02 0.00 0.00 178.31 178.95 1boc h GLU 51 N -0.21 0.00 0.00 1.11 4.81 -1.14 -2.18 114.58 116.97 1boc h GLU 51 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1boc h GLU 51 Cb 1.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.20 1boc h GLU 51 CO 0.16 0.28 0.00 0.39 -0.73 0.00 0.00 179.01 179.11 1boc n GLU 52 N -3.53 0.73 -4.35 1.92 1.02 -0.45 -4.74 120.64 111.23 1boc n GLU 52 Ca -0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 1boc n GLU 52 Cb 0.43 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 1boc n GLU 52 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1boc s LEU 53 N -2.03 2.90 1.21 -4.62 1.43 -0.82 -5.05 118.68 111.71 1boc s LEU 53 Ca 0.35 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1boc s LEU 53 Cb 0.16 -1.48 0.28 0.00 0.03 0.00 0.00 46.19 45.18 1boc s LEU 53 CO 0.28 0.05 0.82 -0.67 0.23 0.00 0.00 176.35 177.06 1boc n ASP 54 N -0.47 -2.16 -3.62 2.29 2.03 -1.26 -5.00 116.55 108.36 1boc n ASP 54 Ca -0.08 -0.25 -0.11 0.00 0.52 0.00 0.00 54.79 54.88 1boc n ASP 54 Cb 0.58 -1.17 -0.07 0.00 -0.72 0.00 0.00 41.12 39.74 1boc n ASP 54 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1boc s LYS 55 N -4.24 0.60 -0.02 -0.67 -2.85 -1.26 -4.76 119.74 106.54 1boc s LYS 55 Ca 0.66 0.56 0.15 0.00 -1.00 0.00 0.00 55.97 56.34 1boc s LYS 55 Cb -0.23 0.29 -0.22 0.00 -2.06 0.00 0.00 37.83 35.62 1boc s LYS 55 CO 0.65 -0.10 0.37 0.27 0.10 0.00 0.00 175.35 176.64 1boc n ASN 56 N 1.95 1.48 -0.21 0.03 6.94 -1.26 -5.01 115.26 119.18 1boc n ASN 56 Ca -0.13 -0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.31 1boc n ASN 56 Cb 0.56 1.58 0.00 0.00 -2.36 0.00 0.00 39.78 39.56 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 1.61 0.58 0.25 4.83 0.00 -1.26 -5.01 105.19 106.19 1boc n GLY 57 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.13 0.47 -0.57 1.61 5.75 -1.26 -4.97 116.55 117.45 1boc n ASP 58 Ca 0.00 -1.83 -0.06 0.00 -0.01 0.00 0.00 54.79 52.89 1boc n ASP 58 Cb 0.11 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.04 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 -0.23 0.41 3.45 6.12 0.00 -1.26 -5.01 105.19 108.68 1boc n GLY 59 Ca 0.02 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.55 1.51 0.00 1.61 2.12 -1.26 -4.51 118.70 114.62 1boc s GLU 60 Ca 0.00 -1.46 0.00 0.00 0.36 0.00 0.00 54.97 53.87 1boc s GLU 60 Cb 0.00 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.79 1boc s GLU 60 CO 0.00 -0.59 0.00 1.55 -0.54 0.00 0.00 175.26 175.68 1boc n VAL 61 N -0.38 0.00 -4.23 3.70 3.14 0.31 -4.47 118.33 116.40 1boc n VAL 61 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 1boc n VAL 61 Cb 0.63 0.00 -0.10 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 -0.11 0.98 0.00 6.55 1.04 -1.26 -3.01 113.70 117.89 1boc s SER 62 Ca 0.00 -1.21 0.28 0.00 0.48 0.00 0.00 55.95 55.50 1boc s SER 62 Cb 0.00 0.17 1.10 0.00 0.10 0.00 0.00 66.02 67.39 1boc s SER 62 CO 0.00 -0.63 1.77 0.33 0.98 0.00 0.00 173.24 175.69 1boc n PHE 63 N -0.24 0.00 0.05 5.02 7.35 -1.21 -2.26 117.46 126.17 1boc n PHE 63 Ca -0.05 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.56 1boc n PHE 63 Cb 0.64 -0.03 -0.12 0.00 0.35 0.00 0.00 39.48 40.32 1boc n PHE 63 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1boc h GLU 64 N 1.88 0.01 -0.22 -4.13 4.57 -1.95 -3.23 114.58 111.51 1boc h GLU 64 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1boc h GLU 64 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1boc h GLU 64 CO 0.00 0.93 0.00 -0.85 -1.18 0.00 0.00 179.01 177.91 1boc n GLU 65 N -3.31 1.90 -0.09 1.92 -0.00 -1.22 -4.36 120.64 115.50 1boc n GLU 65 Ca -0.03 -1.82 0.01 0.00 -0.00 0.00 0.00 57.16 55.32 1boc n GLU 65 Cb 0.96 -1.35 0.04 0.00 -0.00 0.00 0.00 31.44 31.10 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 0.94 0.20 0.08 -1.84 7.35 -0.96 -3.75 117.46 119.48 1boc n PHE 66 Ca 0.13 -0.07 -0.18 0.00 -0.76 0.00 0.00 57.45 56.56 1boc n PHE 66 Cb 0.45 -0.12 -0.14 0.00 0.35 0.00 0.00 39.48 40.01 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 0.42 0.30 -0.66 -4.13 1.08 -1.77 -3.16 115.11 107.19 1boc h GLN 67 Ca 0.00 -0.51 0.19 0.00 -1.45 0.00 0.00 58.65 56.88 1boc h GLN 67 Cb 0.58 0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.17 1boc h GLN 67 CO 0.04 1.18 0.82 0.28 -0.95 0.00 0.00 178.83 180.20 1boc h VAL 68 N 0.08 0.16 0.01 -0.54 2.07 -1.93 1.47 116.25 117.57 1boc h VAL 68 Ca -0.25 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 66.96 1boc h VAL 68 Cb 2.04 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1boc h VAL 68 CO 0.18 0.00 -1.86 -0.11 0.02 0.00 0.00 177.57 175.80 1boc n LEU 69 N -3.40 0.95 -0.12 2.57 0.00 -1.22 -4.15 117.00 111.61 1boc n LEU 69 Ca 0.14 0.32 -0.04 0.00 0.00 0.00 0.00 56.01 56.42 1boc n LEU 69 Cb 1.04 0.08 0.03 0.00 0.00 0.00 0.00 43.42 44.57 1boc n LEU 69 CO 0.24 0.46 0.89 1.62 0.00 0.00 0.00 177.39 180.60 1boc h VAL 70 N 0.01 0.77 0.00 1.96 3.04 0.21 0.26 116.25 122.49 1boc h VAL 70 Ca -0.35 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1boc h VAL 70 Cb 2.05 0.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1boc h VAL 70 CO 0.07 0.03 0.00 0.29 -1.01 0.00 0.00 177.57 176.95 1boc n LYS 71 N -5.12 0.87 -0.04 4.17 5.02 -1.04 -2.30 118.16 119.71 1boc n LYS 71 Ca 0.03 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.44 1boc n LYS 71 Cb 0.19 -1.19 0.13 0.00 -0.02 0.00 0.00 35.03 34.14 1boc n LYS 71 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1boc n LYS 72 N -0.69 2.37 0.01 1.97 3.00 0.90 -4.59 118.16 121.13 1boc n LYS 72 Ca 0.08 -2.01 0.00 0.00 -0.00 0.00 0.00 58.31 56.38 1boc n LYS 72 Cb 0.04 -1.47 0.00 0.00 0.00 0.00 0.00 35.03 33.59 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 1.39 0.24 0.00 3.15 2.08 -0.97 -4.92 119.36 120.33 1boc n ILE 73 Ca 0.15 0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.54 1boc n ILE 73 Cb 0.60 -1.41 0.00 0.00 -0.75 0.00 0.00 39.64 38.08 1boc n ILE 73 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1boc n SER 74 N -3.07 0.00 -0.04 4.38 7.64 -1.11 -4.99 113.62 116.43 1boc n SER 74 Ca 0.00 0.60 0.16 0.00 1.01 0.00 0.00 58.87 60.64 1boc n SER 74 Cb 0.35 -0.10 0.92 0.00 -1.01 0.00 0.00 64.21 64.37 1boc n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03