#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o82 h ALA 2 N 0.00 0.04 -0.43 3.04 0.00 -1.06 -1.78 119.26 119.07 1o82 h ALA 2 Ca 0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1o82 h ALA 2 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1o82 h ALA 2 CO 0.00 0.09 0.05 -0.22 0.00 0.00 0.00 179.25 179.17 1o82 h LYS 3 N -0.49 0.73 0.00 0.00 3.64 -0.84 -0.64 116.57 118.97 1o82 h LYS 3 Ca -0.03 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1o82 h LYS 3 Cb 1.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1o82 h LYS 3 CO 0.05 0.77 -1.29 0.39 -2.27 0.00 0.00 179.45 177.11 1o82 n GLU 4 N -4.46 0.30 0.00 1.90 -0.58 0.14 -4.54 120.64 113.41 1o82 n GLU 4 Ca -0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1o82 n GLU 4 Cb 0.26 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1o82 n GLU 4 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1o82 n PHE 5 N -1.91 0.00 -2.01 -0.32 3.01 -0.90 -5.02 117.46 110.31 1o82 n PHE 5 Ca 0.01 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.29 1o82 n PHE 5 Cb 0.44 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.87 1o82 n PHE 5 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o82 n GLY 6 N 0.04 0.50 3.64 1.37 0.00 -0.25 -4.23 105.19 106.26 1o82 n GLY 6 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1o82 n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o82 s ILE 7 N -2.81 4.88 0.57 -0.61 -1.09 -0.72 -4.92 121.20 116.51 1o82 s ILE 7 Ca 0.00 1.44 -0.20 0.00 -2.23 0.00 0.00 60.65 59.66 1o82 s ILE 7 Cb 0.00 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1o82 s ILE 7 CO 0.00 -0.04 1.28 -2.84 -1.23 0.00 0.00 174.94 172.11 1o82 s PRO 8 N 2.69 3.02 0.26 2.79 0.02 -1.26 -3.32 135.00 139.20 1o82 s PRO 8 Ca 0.33 2.03 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 1o82 s PRO 8 Cb -0.15 -2.08 0.52 0.00 0.02 0.00 0.00 34.50 32.80 1o82 s PRO 8 CO 0.08 -1.22 1.77 0.00 -0.33 0.00 0.00 177.00 177.30 1o82 h ALA 9 N 1.15 1.27 -0.43 -1.55 0.00 -1.95 0.20 119.26 117.94 1o82 h ALA 9 Ca -0.51 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1o82 h ALA 9 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1o82 h ALA 9 CO 0.56 -0.06 0.16 0.00 0.00 0.00 0.00 179.25 179.91 1o82 h ALA 10 N 1.54 1.48 0.18 0.00 0.00 -1.99 -0.37 119.26 120.11 1o82 h ALA 10 Ca 0.46 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.99 1o82 h ALA 10 Cb 0.62 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.25 1o82 h ALA 10 CO -0.35 0.40 -1.10 0.28 0.00 0.00 0.00 179.25 178.48 1o82 h VAL 11 N 0.61 1.40 -0.42 0.00 2.07 -1.38 -3.08 116.25 115.45 1o82 h VAL 11 Ca 0.15 -2.58 0.02 0.00 0.82 0.00 0.00 66.70 65.11 1o82 h VAL 11 Cb 0.14 3.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1o82 h VAL 11 CO -0.01 0.75 0.25 0.00 0.02 0.00 0.00 177.57 178.58 1o82 h ALA 12 N 0.13 0.53 -0.56 1.67 0.00 -0.41 -0.61 119.26 120.02 1o82 h ALA 12 Ca -0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1o82 h ALA 12 Cb 1.86 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1o82 h ALA 12 CO 0.21 -0.07 0.15 0.78 0.00 0.00 0.00 179.25 180.32 1o82 h GLY 13 N 0.51 0.91 0.98 0.00 0.00 -1.20 -0.23 103.07 104.05 1o82 h GLY 13 Ca 0.17 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1o82 h GLY 13 CO -0.07 0.48 0.29 -0.84 0.00 0.00 0.00 176.54 176.40 1o82 h THR 14 N 0.82 1.18 -0.48 4.70 2.02 -1.32 -1.44 112.91 118.38 1o82 h THR 14 Ca 0.18 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1o82 h THR 14 Cb 0.27 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1o82 h THR 14 CO -0.00 0.19 0.17 0.58 0.37 0.00 0.00 175.52 176.83 1o82 h VAL 15 N 0.71 1.22 -0.06 3.16 2.07 -0.48 -2.41 116.25 120.46 1o82 h VAL 15 Ca 0.19 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1o82 h VAL 15 Cb 0.05 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1o82 h VAL 15 CO -0.03 0.26 -0.27 -0.07 0.02 0.00 0.00 177.57 177.48 1o82 h LEU 16 N 0.65 0.10 -0.79 2.57 3.38 -0.87 -1.27 115.31 119.08 1o82 h LEU 16 Ca 0.16 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1o82 h LEU 16 Cb 0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1o82 h LEU 16 CO -0.01 0.38 -0.42 0.78 0.09 0.00 0.00 178.44 179.26 1o82 h ASN 17 N 0.10 0.43 -0.39 -0.43 2.35 -0.99 -0.67 115.58 115.98 1o82 h ASN 17 Ca 0.01 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 1o82 h ASN 17 Cb 0.53 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1o82 h ASN 17 CO 0.04 0.80 0.18 0.58 -1.65 0.00 0.00 177.43 177.38 1o82 h VAL 18 N 0.33 1.18 -0.26 2.81 2.07 -0.85 -1.49 116.25 120.03 1o82 h VAL 18 Ca 0.03 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1o82 h VAL 18 Cb 0.88 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1o82 h VAL 18 CO 0.07 0.19 0.07 0.58 0.02 0.00 0.00 177.57 178.50 1o82 h VAL 19 N 0.49 0.90 0.00 2.57 2.07 -0.95 0.17 116.25 121.50 1o82 h VAL 19 Ca 0.13 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1o82 h VAL 19 Cb 0.13 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1o82 h VAL 19 CO -0.02 0.03 -0.16 -0.33 0.02 0.00 0.00 177.57 177.12 1o82 h GLU 20 N 0.18 0.00 -0.13 1.57 5.08 -0.98 -2.05 114.58 118.25 1o82 h GLU 20 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1o82 h GLU 20 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1o82 h GLU 20 CO -0.14 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1o82 n ALA 21 N -2.24 2.54 -2.12 3.43 0.00 -0.57 -4.90 120.51 116.64 1o82 n ALA 21 Ca -0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1o82 n ALA 21 Cb 0.32 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1o82 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o82 n GLY 22 N 1.06 0.05 3.67 0.00 0.00 -0.77 -5.00 105.19 104.20 1o82 n GLY 22 Ca 0.16 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1o82 n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1o82 s GLY 23 N -2.59 1.57 0.36 -0.02 0.00 0.01 -4.99 107.32 101.66 1o82 s GLY 23 Ca 0.00 -0.32 -0.26 0.00 0.00 0.00 0.00 44.72 44.15 1o82 s GLY 23 CO 0.00 0.29 1.06 -0.98 0.00 0.00 0.00 173.10 173.47 1o82 s TRP 24 N -2.93 3.37 0.33 1.90 0.51 -1.26 -4.85 118.94 116.02 1o82 s TRP 24 Ca 0.65 1.67 0.04 0.00 -2.12 0.00 0.00 56.10 56.34 1o82 s TRP 24 Cb -0.19 -3.16 0.65 0.00 -0.81 0.00 0.00 33.47 29.97 1o82 s TRP 24 CO 0.58 -0.56 1.92 0.28 -0.51 0.00 0.00 176.95 178.66 1o82 h VAL 25 N 2.45 1.01 -0.90 4.03 2.07 -1.99 -1.41 116.25 121.51 1o82 h VAL 25 Ca -0.48 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 66.84 1o82 h VAL 25 Cb 1.21 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1o82 h VAL 25 CO 0.64 0.16 0.58 0.00 0.02 0.00 0.00 177.57 178.97 1o82 h THR 26 N 0.87 0.98 -0.17 2.57 1.03 -1.99 0.18 112.91 116.37 1o82 h THR 26 Ca 0.37 -0.31 -0.05 0.00 -0.01 0.00 0.00 66.41 66.41 1o82 h THR 26 Cb 0.30 -0.01 -0.00 0.00 -1.07 0.00 0.00 68.15 67.37 1o82 h THR 26 CO -0.14 0.17 -0.10 0.74 -0.01 0.00 0.00 175.52 176.18 1o82 h THR 27 N 0.91 1.32 -0.65 0.00 2.02 -1.66 -1.32 112.91 113.53 1o82 h THR 27 Ca 0.41 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 1o82 h THR 27 Cb 0.39 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 1o82 h THR 27 CO -0.18 0.35 0.39 0.40 0.37 0.00 0.00 175.52 176.85 1o82 h ILE 28 N 0.05 1.19 -0.80 3.11 2.04 -0.82 -1.93 117.51 120.35 1o82 h ILE 28 Ca 0.04 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1o82 h ILE 28 Cb 0.59 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1o82 h ILE 28 CO 0.03 0.20 0.50 0.58 0.00 0.00 0.00 178.15 179.46 1o82 h VAL 29 N 0.88 1.22 -0.25 1.67 2.07 -0.55 -1.32 116.25 119.97 1o82 h VAL 29 Ca 0.23 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1o82 h VAL 29 Cb -0.02 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1o82 h VAL 29 CO -0.04 0.22 -0.25 0.77 0.02 0.00 0.00 177.57 178.29 1o82 h SER 30 N 1.09 0.49 -0.08 0.57 4.64 -0.91 0.11 113.55 119.47 1o82 h SER 30 Ca 0.29 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 1o82 h SER 30 Cb -0.07 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1o82 h SER 30 CO -0.06 0.74 -0.13 0.40 -0.87 0.00 0.00 176.83 176.91 1o82 h ILE 31 N 0.43 1.40 -0.32 0.95 2.04 -1.00 -2.04 117.51 118.96 1o82 h ILE 31 Ca 0.06 -1.39 -0.08 0.00 1.00 0.00 0.00 64.86 64.45 1o82 h ILE 31 Cb 0.67 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1o82 h ILE 31 CO 0.05 0.39 -0.15 -0.07 0.00 0.00 0.00 178.15 178.37 1o82 h LEU 32 N -0.24 0.55 -1.02 1.44 3.38 -1.13 -2.34 115.31 115.95 1o82 h LEU 32 Ca 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1o82 h LEU 32 Cb 0.69 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1o82 h LEU 32 CO 0.03 0.73 0.30 0.74 0.09 0.00 0.00 178.44 180.32 1o82 h THR 33 N 0.51 1.23 0.00 0.22 2.02 -0.73 -2.36 112.91 113.81 1o82 h THR 33 Ca 0.09 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1o82 h THR 33 Cb 0.56 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1o82 h THR 33 CO 0.04 0.28 -0.05 0.00 0.37 0.00 0.00 175.52 176.16 1o82 h ALA 34 N 1.34 1.09 0.00 6.16 0.00 -0.82 -2.10 119.26 124.93 1o82 h ALA 34 Ca 0.24 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1o82 h ALA 34 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1o82 h ALA 34 CO -0.03 0.07 -0.62 0.28 0.00 0.00 0.00 179.25 178.96 1o82 h VAL 35 N 0.00 1.36 0.00 0.00 2.07 -1.24 -3.50 116.25 114.95 1o82 h VAL 35 Ca -0.00 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.35 1o82 h VAL 35 Cb 0.34 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1o82 h VAL 35 CO 0.01 0.60 0.00 0.61 0.02 0.00 0.00 177.57 178.81 1o82 n GLY 36 N 0.39 0.28 0.30 2.17 0.00 -0.79 -4.69 105.19 102.84 1o82 n GLY 36 Ca -0.01 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.25 1o82 n GLY 36 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1o82 h SER 37 N 0.00 0.34 -0.18 1.61 4.64 -1.90 -0.89 113.55 117.16 1o82 h SER 37 Ca 0.00 0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1o82 h SER 37 Cb 0.00 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1o82 h SER 37 CO 0.00 0.09 -0.15 1.23 -0.87 0.00 0.00 176.83 177.13 1o82 h GLY 38 N 0.47 0.63 0.93 -0.77 0.00 -1.84 -0.18 103.07 102.31 1o82 h GLY 38 Ca 0.47 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1o82 h GLY 38 CO -0.44 0.43 0.01 -1.33 0.00 0.00 0.00 176.54 175.21 1o82 h GLY 39 N 0.97 0.72 1.19 4.60 0.00 -1.33 -2.04 103.07 107.17 1o82 h GLY 39 Ca 0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 1o82 h GLY 39 CO 0.04 0.48 0.21 1.41 0.00 0.00 0.00 176.54 178.68 1o82 h LEU 40 N 0.49 0.95 -0.71 3.11 3.38 -1.02 -1.50 115.31 120.01 1o82 h LEU 40 Ca 0.11 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1o82 h LEU 40 Cb 0.45 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1o82 h LEU 40 CO 0.02 0.89 0.24 0.28 0.09 0.00 0.00 178.44 179.96 1o82 h SER 41 N 0.99 1.01 -0.50 -0.43 0.02 -0.91 -1.47 113.55 112.26 1o82 h SER 41 Ca 0.22 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1o82 h SER 41 Cb 0.28 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1o82 h SER 41 CO -0.01 0.94 0.01 0.25 -1.14 0.00 0.00 176.83 176.88 1o82 h LEU 42 N 1.03 0.90 -1.03 5.07 5.85 -1.01 -0.73 115.31 125.38 1o82 h LEU 42 Ca 0.23 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1o82 h LEU 42 Cb 0.27 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1o82 h LEU 42 CO -0.01 0.95 0.51 -0.07 -0.34 0.00 0.00 178.44 179.48 1o82 h LEU 43 N 0.86 1.04 -0.79 2.25 3.38 -0.88 -2.48 115.31 118.69 1o82 h LEU 43 Ca 0.16 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1o82 h LEU 43 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1o82 h LEU 43 CO 0.02 0.81 -0.28 0.00 0.09 0.00 0.00 178.44 179.08 1o82 h ALA 44 N 1.37 0.97 0.00 1.53 0.00 -0.66 -3.07 119.26 119.39 1o82 h ALA 44 Ca 0.31 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1o82 h ALA 44 Cb -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1o82 h ALA 44 CO -0.06 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.77 1o82 h ALA 45 N 1.18 1.46 -0.62 0.00 0.00 -0.68 -2.73 119.26 117.87 1o82 h ALA 45 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1o82 h ALA 45 Cb 0.75 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1o82 h ALA 45 CO 0.06 0.03 0.36 0.00 0.00 0.00 0.00 179.25 179.69 1o82 h ALA 46 N 1.98 1.46 -0.59 0.00 0.00 -1.45 -3.47 119.26 117.18 1o82 h ALA 46 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1o82 h ALA 46 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1o82 h ALA 46 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1o82 n GLY 47 N -1.29 3.15 0.00 0.00 0.00 -1.03 -2.39 105.19 103.63 1o82 n GLY 47 Ca 0.06 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1o82 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o82 n ARG 48 N 13.18 0.43 -3.93 1.61 1.74 -1.26 -4.78 116.66 123.65 1o82 n ARG 48 Ca 0.00 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.79 1o82 n ARG 48 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 1o82 n ARG 48 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1o82 s GLU 49 N -2.56 3.44 0.82 5.56 2.02 -1.00 -5.09 118.70 121.88 1o82 s GLU 49 Ca 0.28 -0.47 -0.11 0.00 0.02 0.00 0.00 54.97 54.69 1o82 s GLU 49 Cb 0.20 -3.02 0.08 0.00 0.10 0.00 0.00 34.13 31.49 1o82 s GLU 49 CO 0.45 0.59 1.10 -1.54 0.02 0.00 0.00 175.26 175.88 1o82 s SER 50 N -2.64 4.08 0.39 -0.19 1.04 -1.26 -4.77 113.70 110.34 1o82 s SER 50 Ca 0.35 1.83 0.07 0.00 0.48 0.00 0.00 55.95 58.68 1o82 s SER 50 Cb -0.13 -2.48 0.81 0.00 0.10 0.00 0.00 66.02 64.33 1o82 s SER 50 CO 0.28 -2.31 2.00 -0.29 0.98 0.00 0.00 173.24 173.90 1o82 h ILE 51 N -1.32 1.04 -0.35 -1.02 6.09 -1.92 -0.46 117.51 119.57 1o82 h ILE 51 Ca -0.44 -0.22 -0.08 0.00 -1.37 0.00 0.00 64.86 62.74 1o82 h ILE 51 Cb 1.24 0.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.87 1o82 h ILE 51 CO 0.50 0.12 -0.10 0.50 -3.07 0.00 0.00 178.15 176.10 1o82 h LYS 52 N 0.65 0.69 -0.66 2.19 3.64 -1.94 -1.31 116.57 119.83 1o82 h LYS 52 Ca 0.24 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1o82 h LYS 52 Cb 0.16 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1o82 h LYS 52 CO -0.07 0.86 0.11 0.00 -2.27 0.00 0.00 179.45 178.08 1o82 h ALA 53 N 0.81 0.96 0.03 5.00 0.00 -1.69 -0.52 119.26 123.84 1o82 h ALA 53 Ca 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1o82 h ALA 53 Cb 0.61 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1o82 h ALA 53 CO 0.04 0.66 -0.01 -0.92 0.00 0.00 0.00 179.25 179.01 1o82 h TYR 54 N 1.01 -0.03 -0.39 0.00 3.20 -1.04 -1.55 116.97 118.18 1o82 h TYR 54 Ca 0.20 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.96 1o82 h TYR 54 Cb 0.42 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1o82 h TYR 54 CO 0.03 0.03 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.32 1o82 h LEU 55 N -0.09 0.75 -0.60 2.82 3.38 -1.03 -0.04 115.31 120.49 1o82 h LEU 55 Ca -0.00 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1o82 h LEU 55 Cb 0.08 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1o82 h LEU 55 CO 0.01 0.93 0.35 0.11 0.09 0.00 0.00 178.44 179.93 1o82 h LYS 56 N 0.65 0.66 -0.47 1.13 1.57 -0.97 0.73 116.57 119.88 1o82 h LYS 56 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1o82 h LYS 56 Cb 0.69 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1o82 h LYS 56 CO 0.05 0.44 0.22 -0.22 -0.57 0.00 0.00 179.45 179.37 1o82 h LYS 57 N 0.68 0.67 -0.51 3.15 3.64 -0.70 -0.26 116.57 123.24 1o82 h LYS 57 Ca 0.25 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1o82 h LYS 57 Cb 0.08 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1o82 h LYS 57 CO -0.13 0.57 0.32 0.93 -2.27 0.00 0.00 179.45 178.88 1o82 h GLU 58 N 0.61 0.63 -0.90 1.90 4.39 -0.48 -0.90 114.58 119.83 1o82 h GLU 58 Ca 0.16 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1o82 h GLU 58 Cb 0.12 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1o82 h GLU 58 CO -0.02 0.42 0.49 0.82 -1.16 0.00 0.00 179.01 179.56 1o82 h ILE 59 N 0.65 1.26 -0.59 3.13 2.04 -0.54 0.89 117.51 124.35 1o82 h ILE 59 Ca 0.20 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1o82 h ILE 59 Cb -0.03 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 1o82 h ILE 59 CO -0.07 0.29 0.12 0.50 0.00 0.00 0.00 178.15 178.99 1o82 h LYS 60 N 1.26 0.93 0.05 2.37 3.64 -0.47 0.41 116.57 124.77 1o82 h LYS 60 Ca 0.32 -0.21 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 1o82 h LYS 60 Cb 0.03 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1o82 h LYS 60 CO -0.05 0.85 -0.64 -0.22 -2.27 0.00 0.00 179.45 177.12 1o82 h LYS 61 N 0.89 0.34 0.00 1.90 3.64 -0.70 -3.41 116.57 119.23 1o82 h LYS 61 Ca 0.19 -0.44 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 1o82 h LYS 61 Cb 0.36 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1o82 h LYS 61 CO 0.00 1.14 -1.70 1.63 -2.27 0.00 0.00 179.45 178.25 1o82 n LYS 62 N -4.22 1.19 0.00 1.90 5.02 0.26 -5.11 118.16 117.21 1o82 n LYS 62 Ca -0.12 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1o82 n LYS 62 Cb 0.71 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1o82 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o82 n GLY 63 N 2.01 0.98 0.18 0.72 0.00 0.13 -4.43 105.19 104.77 1o82 n GLY 63 Ca -0.11 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.23 1o82 n GLY 63 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1o82 h LYS 64 N 0.00 0.25 -0.29 1.61 3.64 -1.91 -1.65 116.57 118.22 1o82 h LYS 64 Ca 0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1o82 h LYS 64 Cb 0.00 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1o82 h LYS 64 CO 0.00 0.17 0.02 -0.09 -2.27 0.00 0.00 179.45 177.28 1o82 h ARG 65 N 0.26 0.11 -0.39 1.90 2.43 -1.97 -0.33 114.38 116.39 1o82 h ARG 65 Ca 0.20 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1o82 h ARG 65 Cb 0.23 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1o82 h ARG 65 CO -0.24 0.07 -0.02 0.00 -1.51 0.00 0.00 179.97 178.27 1o82 h ALA 66 N 1.24 1.24 -0.45 2.80 0.00 -1.71 -2.03 119.26 120.35 1o82 h ALA 66 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1o82 h ALA 66 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1o82 h ALA 66 CO -0.21 0.51 0.06 0.28 0.00 0.00 0.00 179.25 179.88 1o82 h VAL 67 N 0.60 1.25 -0.40 0.00 2.07 -0.70 -0.24 116.25 118.82 1o82 h VAL 67 Ca 0.12 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1o82 h VAL 67 Cb 0.41 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1o82 h VAL 67 CO 0.02 0.32 0.18 0.40 0.02 0.00 0.00 177.57 178.50 1o82 h ILE 68 N 0.60 0.93 -0.76 4.57 2.04 -0.84 0.12 117.51 124.19 1o82 h ILE 68 Ca 0.13 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1o82 h ILE 68 Cb 0.40 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1o82 h ILE 68 CO 0.01 0.07 0.35 0.00 0.00 0.00 0.00 178.15 178.57 1o82 h ALA 69 N 1.23 1.18 0.00 1.87 0.00 -1.11 -2.27 119.26 120.16 1o82 h ALA 69 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1o82 h ALA 69 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1o82 h ALA 69 CO -0.15 0.61 0.00 1.87 0.00 0.00 0.00 179.25 181.58