#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m19 h ASN 25 N 0.00 -0.13 -0.86 1.67 2.35 -2.04 -2.83 115.58 113.74 1m19 h ASN 25 Ca 0.00 -0.42 0.05 0.00 -0.55 0.00 0.00 56.30 55.38 1m19 h ASN 25 Cb 0.00 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1m19 h ASN 25 CO 0.00 0.41 0.56 -0.29 -1.65 0.00 0.00 177.43 176.47 1m19 h ILE 26 N -0.75 1.10 0.00 2.81 6.09 -1.99 0.58 117.51 125.35 1m19 h ILE 26 Ca -0.02 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 1m19 h ILE 26 Cb 0.55 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 37.83 1m19 h ILE 26 CO 0.03 0.19 0.00 1.56 -3.07 0.00 0.00 178.15 176.85 1m19 h GLN 27 N 1.02 0.00 0.00 2.19 1.08 -1.99 0.13 115.11 117.54 1m19 h GLN 27 Ca 0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1m19 h GLN 27 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1m19 h GLN 27 CO -0.12 0.00 0.00 0.78 -0.95 0.00 0.00 178.83 178.54 1m19 h GLY 28 N 0.34 0.00 -6.91 3.46 0.00 0.44 -3.39 103.07 97.01 1m19 h GLY 28 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1m19 h GLY 28 CO 0.00 0.00 0.83 -0.42 0.00 0.00 0.00 176.54 176.95 1m19 s ILE 29 N -3.38 4.21 0.57 2.60 -1.09 0.47 -5.01 121.20 119.58 1m19 s ILE 29 Ca 0.04 0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 59.22 1m19 s ILE 29 Cb 0.09 -4.61 -0.05 0.00 -1.58 0.00 0.00 42.46 36.31 1m19 s ILE 29 CO 0.45 -1.13 0.97 0.42 -1.23 0.00 0.00 174.94 174.43 1m19 s THR 30 N 4.45 4.72 0.20 2.92 -4.23 -1.26 -4.91 115.64 117.53 1m19 s THR 30 Ca 0.41 0.81 -0.11 0.00 -1.18 0.00 0.00 61.69 61.62 1m19 s THR 30 Cb -0.09 -3.84 0.13 0.00 1.34 0.00 0.00 72.50 70.05 1m19 s THR 30 CO 0.27 -1.01 1.72 0.50 -0.54 0.00 0.00 174.62 175.55 1m19 h LYS 31 N 0.00 0.29 -0.51 3.99 3.64 -1.94 0.20 116.57 122.24 1m19 h LYS 31 Ca -0.45 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1m19 h LYS 31 Cb 1.19 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 1m19 h LYS 31 CO 0.62 0.19 0.12 -1.35 -2.27 0.00 0.00 179.45 176.76 1m19 h PRO 32 N 0.30 0.78 -0.42 1.90 0.11 -1.98 0.13 132.00 132.82 1m19 h PRO 32 Ca 0.28 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 66.14 1m19 h PRO 32 Cb 0.38 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1m19 h PRO 32 CO -0.34 0.71 -0.14 0.00 -0.21 0.00 0.00 178.00 178.02 1m19 h ALA 33 N 1.38 0.58 -0.63 -0.75 0.00 -1.50 -1.47 119.26 116.86 1m19 h ALA 33 Ca 0.17 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1m19 h ALA 33 Cb 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1m19 h ALA 33 CO -0.00 0.49 0.20 0.82 0.00 0.00 0.00 179.25 180.76 1m19 h ILE 34 N 0.65 1.24 -0.53 0.00 2.04 -0.15 -2.24 117.51 118.52 1m19 h ILE 34 Ca 0.10 -0.82 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 1m19 h ILE 34 Cb 0.68 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1m19 h ILE 34 CO 0.05 0.32 -0.10 -0.09 0.00 0.00 0.00 178.15 178.32 1m19 h ARG 35 N 0.93 1.00 0.02 2.37 2.43 -0.59 -1.67 114.38 118.88 1m19 h ARG 35 Ca 0.21 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1m19 h ARG 35 Cb 0.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1m19 h ARG 35 CO -0.01 1.05 -0.01 0.00 -1.51 0.00 0.00 179.97 179.49 1m19 h ARG 36 N 0.89 -0.02 -0.86 0.20 3.08 -0.88 -0.01 114.38 116.77 1m19 h ARG 36 Ca 0.14 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.33 1m19 h ARG 36 Cb 0.66 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.63 1m19 h ARG 36 CO 0.05 0.07 0.47 -0.07 -1.07 0.00 0.00 179.97 179.41 1m19 h LEU 37 N -0.11 0.60 -0.77 3.04 3.38 -1.31 -0.13 115.31 120.02 1m19 h LEU 37 Ca -0.00 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1m19 h LEU 37 Cb 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1m19 h LEU 37 CO 0.00 0.28 -0.21 0.00 0.09 0.00 0.00 178.44 178.61 1m19 h ALA 38 N 1.54 0.95 -0.50 1.53 0.00 -0.75 -1.91 119.26 120.12 1m19 h ALA 38 Ca 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1m19 h ALA 38 Cb 0.59 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1m19 h ALA 38 CO -0.33 0.61 0.24 0.00 0.00 0.00 0.00 179.25 179.77 1m19 h ARG 39 N 0.63 0.72 0.00 0.00 2.47 0.33 0.89 114.38 119.42 1m19 h ARG 39 Ca 0.09 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1m19 h ARG 39 Cb 0.69 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1m19 h ARG 39 CO 0.05 0.60 -0.07 -0.09 0.56 0.00 0.00 179.97 181.02 1m19 h ARG 40 N 0.66 0.00 -0.16 0.04 2.43 -0.76 -0.18 114.38 116.41 1m19 h ARG 40 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1m19 h ARG 40 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1m19 h ARG 40 CO -0.02 0.07 0.00 0.41 -1.51 0.00 0.00 179.97 178.92 1m19 n GLY 41 N -0.97 -0.05 1.89 2.80 0.00 0.20 -4.90 105.19 104.16 1m19 n GLY 41 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1m19 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m19 n GLY 42 N 0.95 0.48 3.73 -0.02 0.00 -0.08 -5.03 105.19 105.23 1m19 n GLY 42 Ca 0.12 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1m19 n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m19 s VAL 43 N -2.00 4.83 -0.18 1.61 1.01 -0.53 -5.00 120.40 120.15 1m19 s VAL 43 Ca 0.00 1.68 0.17 0.00 0.00 0.00 0.00 61.98 63.83 1m19 s VAL 43 Cb 0.00 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 32.00 1m19 s VAL 43 CO 0.00 0.29 0.08 1.17 0.00 0.00 0.00 175.10 176.64 1m19 n LYS 44 N 3.28 0.94 -3.86 2.72 4.81 -1.26 -4.29 118.16 120.50 1m19 n LYS 44 Ca -0.00 -0.02 -0.14 0.00 -0.87 0.00 0.00 58.31 57.28 1m19 n LYS 44 Cb 0.51 -1.48 -0.15 0.00 0.02 0.00 0.00 35.03 33.93 1m19 n LYS 44 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1m19 s ARG 45 N -2.49 0.06 -0.07 1.64 1.81 -1.26 -5.14 118.95 113.50 1m19 s ARG 45 Ca -0.09 0.07 0.03 0.00 -1.72 0.00 0.00 55.73 54.03 1m19 s ARG 45 Cb 0.06 -0.20 0.01 0.00 -0.45 0.00 0.00 34.95 34.37 1m19 s ARG 45 CO 0.77 -0.08 -0.16 0.42 -0.68 0.00 0.00 175.30 175.56 1m19 s ILE 46 N 0.57 1.43 0.53 1.52 1.01 -1.26 -5.12 121.20 119.87 1m19 s ILE 46 Ca -0.05 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 1m19 s ILE 46 Cb -0.07 -1.26 -0.07 0.00 0.01 0.00 0.00 42.46 41.06 1m19 s ILE 46 CO -0.01 0.42 0.99 -0.55 0.00 0.00 0.00 174.94 175.79 1m19 s SER 47 N 0.41 6.53 0.50 3.58 0.15 -1.26 -4.96 113.70 118.66 1m19 s SER 47 Ca -0.12 1.58 0.22 0.00 0.70 0.00 0.00 55.95 58.33 1m19 s SER 47 Cb -0.15 -2.51 1.33 0.00 -1.71 0.00 0.00 66.02 62.98 1m19 s SER 47 CO 0.04 -0.65 2.07 1.23 1.20 0.00 0.00 173.24 177.14 1m19 h GLY 48 N 0.81 0.00 2.00 9.45 0.00 -2.05 -2.21 103.07 111.07 1m19 h GLY 48 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1m19 h GLY 48 CO 0.61 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.19 1m19 n LEU 49 N -3.97 0.10 -0.06 3.11 4.77 -1.26 -3.76 117.00 115.93 1m19 n LEU 49 Ca -0.02 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1m19 n LEU 49 Cb 0.21 -0.49 0.30 0.00 -2.33 0.00 0.00 43.42 41.11 1m19 n LEU 49 CO 0.32 -0.13 1.05 0.40 -1.33 0.00 0.00 177.39 177.70 1m19 h ILE 50 N 0.00 1.18 -0.38 -0.08 1.08 -1.78 -2.88 117.51 114.66 1m19 h ILE 50 Ca 0.00 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1m19 h ILE 50 Cb 0.43 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1m19 h ILE 50 CO 0.00 0.22 0.19 1.88 -0.69 0.00 0.00 178.15 179.75 1m19 h TYR 51 N 0.66 0.53 -0.18 1.37 0.05 -1.77 0.25 116.97 117.88 1m19 h TYR 51 Ca 0.16 -0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.76 1m19 h TYR 51 Cb 0.16 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1m19 h TYR 51 CO 0.01 0.44 -0.56 0.93 -1.05 0.00 0.00 178.16 177.93 1m19 h GLU 52 N 0.47 0.54 -0.21 4.88 4.39 -1.82 -2.04 114.58 120.80 1m19 h GLU 52 Ca 0.13 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1m19 h GLU 52 Cb 0.10 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1m19 h GLU 52 CO -0.02 0.95 0.12 1.49 -1.16 0.00 0.00 179.01 180.40 1m19 h GLU 53 N 0.42 0.29 0.01 2.33 4.57 -1.25 -1.87 114.58 119.07 1m19 h GLU 53 Ca 0.01 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1m19 h GLU 53 Cb 1.10 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 1m19 h GLU 53 CO 0.10 0.25 -0.10 1.15 -1.18 0.00 0.00 179.01 179.24 1m19 h THR 54 N 0.25 0.76 -0.79 0.32 2.02 -0.87 -2.10 112.91 112.50 1m19 h THR 54 Ca 0.08 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.41 1m19 h THR 54 Cb 0.03 0.76 -0.10 0.00 -1.74 0.00 0.00 68.15 67.10 1m19 h THR 54 CO -0.01 0.00 0.33 0.03 0.37 0.00 0.00 175.52 176.23 1m19 h ARG 55 N -0.17 0.44 -0.73 6.66 3.08 -1.22 0.14 114.38 122.59 1m19 h ARG 55 Ca 0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1m19 h ARG 55 Cb 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1m19 h ARG 55 CO -0.09 0.29 0.22 0.78 -1.07 0.00 0.00 179.97 180.10 1m19 h GLY 56 N 0.45 1.22 1.06 0.04 0.00 -0.71 -1.66 103.07 103.49 1m19 h GLY 56 Ca 0.44 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1m19 h GLY 56 CO -0.42 0.68 -0.09 -2.08 0.00 0.00 0.00 176.54 174.63 1m19 h VAL 57 N 1.09 1.27 -0.66 4.60 2.07 -0.64 -2.35 116.25 121.63 1m19 h VAL 57 Ca 0.23 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1m19 h VAL 57 Cb 0.32 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1m19 h VAL 57 CO -0.01 0.43 0.28 0.25 0.02 0.00 0.00 177.57 178.55 1m19 h LEU 58 N 0.84 0.89 -0.15 2.57 5.85 -0.50 -0.33 115.31 124.49 1m19 h LEU 58 Ca 0.14 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1m19 h LEU 58 Cb 0.64 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1m19 h LEU 58 CO 0.04 0.80 0.03 0.50 -0.34 0.00 0.00 178.44 179.48 1m19 h LYS 59 N 0.92 0.24 -0.39 1.25 3.64 -1.26 0.12 116.57 121.10 1m19 h LYS 59 Ca 0.22 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1m19 h LYS 59 Cb 0.18 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1m19 h LYS 59 CO -0.02 0.41 0.18 0.28 -2.27 0.00 0.00 179.45 178.03 1m19 h VAL 60 N 0.04 0.95 -0.11 2.00 2.07 -1.31 0.21 116.25 120.12 1m19 h VAL 60 Ca 0.05 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1m19 h VAL 60 Cb 0.28 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1m19 h VAL 60 CO 0.00 0.07 -0.09 0.15 0.02 0.00 0.00 177.57 177.71 1m19 h PHE 61 N 0.37 -0.23 -0.71 1.57 3.57 -0.73 -2.18 116.94 118.60 1m19 h PHE 61 Ca 0.17 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1m19 h PHE 61 Cb 0.10 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1m19 h PHE 61 CO -0.11 -0.15 0.28 -0.07 -2.23 0.00 0.00 178.31 176.03 1m19 h LEU 62 N -0.11 0.99 -0.52 0.59 3.38 -0.32 -2.15 115.31 117.16 1m19 h LEU 62 Ca 0.07 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1m19 h LEU 62 Cb 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1m19 h LEU 62 CO -0.18 0.89 0.29 -0.33 0.09 0.00 0.00 178.44 179.21 1m19 h GLU 63 N 1.02 0.55 -0.47 1.13 5.08 -0.39 0.24 114.58 121.75 1m19 h GLU 63 Ca 0.24 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1m19 h GLU 63 Cb 0.22 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1m19 h GLU 63 CO -0.02 0.37 0.24 -0.91 -1.00 0.00 0.00 179.01 177.69 1m19 h ASN 64 N 0.57 0.60 -0.03 1.42 2.35 -1.11 0.60 115.58 119.97 1m19 h ASN 64 Ca 0.22 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1m19 h ASN 64 Cb 0.08 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.30 1m19 h ASN 64 CO -0.13 0.54 -0.40 0.58 -1.65 0.00 0.00 177.43 176.37 1m19 h VAL 65 N 0.61 1.45 -0.84 2.81 2.07 -1.11 -3.18 116.25 118.06 1m19 h VAL 65 Ca 0.16 -1.89 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 1m19 h VAL 65 Cb 0.08 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 1m19 h VAL 65 CO -0.02 0.54 0.41 0.40 0.02 0.00 0.00 177.57 178.92 1m19 h ILE 66 N -0.21 1.26 -0.38 4.57 2.04 -0.52 -1.18 117.51 123.08 1m19 h ILE 66 Ca -0.04 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.18 1m19 h ILE 66 Cb 1.09 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1m19 h ILE 66 CO 0.08 0.31 -0.03 -0.09 0.00 0.00 0.00 178.15 178.42 1m19 h ARG 67 N 1.19 0.07 -0.49 2.37 2.43 -0.94 0.12 114.38 119.13 1m19 h ARG 67 Ca 0.29 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1m19 h ARG 67 Cb 0.10 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1m19 h ARG 67 CO -0.04 0.05 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.93 1m19 h ASP 68 N 0.07 0.94 -0.30 -3.80 3.32 -1.46 -0.86 116.42 114.33 1m19 h ASP 68 Ca 0.18 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1m19 h ASP 68 Cb 0.27 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1m19 h ASP 68 CO -0.33 1.07 0.19 0.00 -1.72 0.00 0.00 179.24 178.45 1m19 h ALA 69 N 0.90 0.38 -0.53 3.45 0.00 -0.69 -1.64 119.26 121.12 1m19 h ALA 69 Ca 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1m19 h ALA 69 Cb 0.65 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1m19 h ALA 69 CO 0.04 -0.13 0.19 0.28 0.00 0.00 0.00 179.25 179.64 1m19 h VAL 70 N 0.39 1.20 -0.31 0.00 2.07 -0.62 0.91 116.25 119.89 1m19 h VAL 70 Ca 0.11 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1m19 h VAL 70 Cb -0.01 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1m19 h VAL 70 CO -0.02 0.25 0.06 0.74 0.02 0.00 0.00 177.57 178.62 1m19 h THR 71 N 0.76 1.16 -0.09 2.57 2.02 -0.61 0.12 112.91 118.83 1m19 h THR 71 Ca 0.18 -0.56 -0.20 0.00 0.77 0.00 0.00 66.41 66.60 1m19 h THR 71 Cb 0.18 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1m19 h THR 71 CO -0.01 0.20 -0.77 1.88 0.37 0.00 0.00 175.52 177.19 1m19 h TYR 72 N 0.44 0.73 0.15 3.16 0.05 -0.18 -2.12 116.97 119.21 1m19 h TYR 72 Ca 0.10 -0.33 -0.01 0.00 0.05 0.00 0.00 58.73 58.55 1m19 h TYR 72 Cb 0.20 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1m19 h TYR 72 CO 0.01 1.12 -0.07 1.15 -1.05 0.00 0.00 178.16 179.31 1m19 h THR 73 N 0.36 0.85 -0.74 -2.88 2.02 0.40 -2.55 112.91 110.37 1m19 h THR 73 Ca -0.04 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1m19 h THR 73 Cb 1.37 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.60 1m19 h THR 73 CO 0.14 0.00 0.44 -0.33 0.37 0.00 0.00 175.52 176.14 1m19 h GLU 74 N -0.21 1.02 -0.91 6.66 5.08 -0.88 -2.15 114.58 123.18 1m19 h GLU 74 Ca -0.02 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1m19 h GLU 74 Cb 0.16 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1m19 h GLU 74 CO 0.03 0.73 0.59 1.25 -1.00 0.00 0.00 179.01 180.61 1m19 h HIS 75 N 1.02 1.11 -0.06 4.33 2.76 -1.26 0.16 115.15 123.21 1m19 h HIS 75 Ca 0.27 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1m19 h HIS 75 Cb -0.02 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 28.58 1m19 h HIS 75 CO -0.01 0.63 0.00 0.00 -1.30 0.00 0.00 177.93 177.25 1m19 n ALA 76 N -2.35 2.49 -3.66 5.26 0.00 -0.92 -4.89 120.51 116.43 1m19 n ALA 76 Ca 0.12 -0.10 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 1m19 n ALA 76 Cb 0.10 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.60 1m19 n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1m19 n LYS 77 N -0.32 -5.28 -4.55 0.00 5.02 0.56 -4.99 118.16 108.60 1m19 n LYS 77 Ca 0.02 0.66 -0.29 0.00 -2.02 0.00 0.00 58.31 56.68 1m19 n LYS 77 Cb 0.05 -5.32 -0.09 0.00 -0.02 0.00 0.00 35.03 29.66 1m19 n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1m19 s ARG 78 N -5.91 2.11 0.00 1.97 0.52 -0.85 -5.03 118.95 111.75 1m19 s ARG 78 Ca 0.05 -2.17 0.00 0.00 -0.52 0.00 0.00 55.73 53.08 1m19 s ARG 78 Cb -0.02 -1.68 0.00 0.00 0.52 0.00 0.00 34.95 33.77 1m19 s ARG 78 CO 0.80 -0.21 0.58 1.63 0.02 0.00 0.00 175.30 178.12 1m19 n LYS 79 N -1.17 0.60 -4.10 3.54 5.02 -1.26 -4.50 118.16 116.29 1m19 n LYS 79 Ca -0.10 -0.75 -0.33 0.00 -2.02 0.00 0.00 58.31 55.12 1m19 n LYS 79 Cb 0.66 -0.85 -0.16 0.00 -0.02 0.00 0.00 35.03 34.67 1m19 n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1m19 s THR 80 N -0.33 2.01 -0.19 -0.18 2.01 -1.26 -5.10 115.64 112.60 1m19 s THR 80 Ca 0.00 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 1m19 s THR 80 Cb 0.00 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.64 1m19 s THR 80 CO 0.00 0.46 1.40 -0.69 -0.69 0.00 0.00 174.62 175.10 1m19 s VAL 81 N 1.30 4.03 0.58 3.82 1.01 -1.26 -4.94 120.40 124.94 1m19 s VAL 81 Ca 0.03 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.23 1m19 s VAL 81 Cb -0.14 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.39 1m19 s VAL 81 CO -0.12 -0.23 0.82 0.42 0.00 0.00 0.00 175.10 175.99 1m19 s THR 82 N 4.09 2.59 0.19 3.92 -4.23 -1.26 -4.97 115.64 115.97 1m19 s THR 82 Ca 0.61 -0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 60.46 1m19 s THR 82 Cb -0.23 -3.00 0.06 0.00 1.34 0.00 0.00 72.50 70.67 1m19 s THR 82 CO 0.22 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 175.94 1m19 h ALA 83 N -0.06 0.86 -0.66 3.99 0.00 -1.95 -2.53 119.26 118.91 1m19 h ALA 83 Ca -0.42 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1m19 h ALA 83 Cb 1.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1m19 h ALA 83 CO 0.54 0.66 0.39 0.52 0.00 0.00 0.00 179.25 181.35 1m19 h MET 84 N 0.89 0.89 -0.79 0.00 2.86 -1.94 0.16 114.93 117.00 1m19 h MET 84 Ca 0.15 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1m19 h MET 84 Cb 0.61 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1m19 h MET 84 CO 0.04 0.63 0.42 -0.44 1.06 0.00 0.00 176.91 178.61 1m19 h ASP 85 N 0.90 1.00 -0.33 1.22 3.32 -1.83 0.38 116.42 121.09 1m19 h ASP 85 Ca 0.24 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 57.02 1m19 h ASP 85 Cb -0.03 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1m19 h ASP 85 CO -0.04 0.83 -0.42 0.58 -1.72 0.00 0.00 179.24 178.47 1m19 h VAL 86 N 1.10 1.28 -0.79 -1.35 2.07 -0.97 -2.32 116.25 115.28 1m19 h VAL 86 Ca 0.28 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1m19 h VAL 86 Cb 0.06 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1m19 h VAL 86 CO -0.04 0.52 0.42 0.58 0.02 0.00 0.00 177.57 179.07 1m19 h VAL 87 N 0.65 1.24 -0.22 2.57 2.07 -0.46 0.25 116.25 122.35 1m19 h VAL 87 Ca 0.04 -0.62 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1m19 h VAL 87 Cb 1.01 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1m19 h VAL 87 CO 0.10 0.27 -0.41 1.88 0.02 0.00 0.00 177.57 179.43 1m19 h TYR 88 N 1.10 0.62 -0.46 1.57 0.05 -0.91 -1.62 116.97 117.32 1m19 h TYR 88 Ca 0.28 -0.18 -0.13 0.00 0.05 0.00 0.00 58.73 58.75 1m19 h TYR 88 Cb 0.06 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1m19 h TYR 88 CO 0.01 0.85 -0.21 0.00 -1.05 0.00 0.00 178.16 177.76 1m19 h ALA 89 N 1.12 0.65 -0.47 3.88 0.00 -0.80 -1.64 119.26 122.00 1m19 h ALA 89 Ca 0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1m19 h ALA 89 Cb 0.91 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1m19 h ALA 89 CO 0.08 0.63 -0.05 -0.07 0.00 0.00 0.00 179.25 179.84 1m19 h LEU 90 N 0.81 0.87 0.18 0.00 3.38 -0.44 -2.65 115.31 117.45 1m19 h LEU 90 Ca 0.10 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1m19 h LEU 90 Cb 0.79 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1m19 h LEU 90 CO 0.07 0.99 -0.09 0.50 0.09 0.00 0.00 178.44 180.00 1m19 h LYS 91 N 0.72 -0.24 0.00 1.13 3.64 -1.19 0.24 116.57 120.87 1m19 h LYS 91 Ca 0.13 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1m19 h LYS 91 Cb 0.58 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1m19 h LYS 91 CO 0.03 -0.16 0.00 2.89 -2.27 0.00 0.00 179.45 179.95 1m19 n ARG 92 N -5.20 0.10 -0.25 1.90 1.85 -0.63 0.06 116.66 114.49 1m19 n ARG 92 Ca -0.09 0.39 0.09 0.00 -1.00 0.00 0.00 57.85 57.25 1m19 n ARG 92 Cb 0.13 -1.71 0.24 0.00 -1.05 0.00 0.00 32.46 30.07 1m19 n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1m19 n GLN 93 N -1.90 2.20 -1.83 2.89 1.13 -0.74 -4.91 117.38 114.21 1m19 n GLN 93 Ca 0.02 -1.87 -0.11 0.00 -1.94 0.00 0.00 57.00 53.10 1m19 n GLN 93 Cb 0.16 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.07 1m19 n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1m19 n GLY 94 N 1.34 0.48 2.05 1.08 0.00 0.11 -4.92 105.19 105.33 1m19 n GLY 94 Ca 0.18 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1m19 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m19 n ARG 95 N -2.34 3.56 -1.36 1.61 5.12 0.77 -5.01 116.66 119.01 1m19 n ARG 95 Ca -0.13 -4.12 -0.53 0.00 -1.93 0.00 0.00 57.85 51.14 1m19 n ARG 95 Cb 0.50 -2.28 -0.07 0.00 -1.16 0.00 0.00 32.46 29.46 1m19 n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1m19 n THR 96 N -0.72 0.23 -4.73 0.55 -1.04 -1.23 -4.37 114.28 102.97 1m19 n THR 96 Ca 0.45 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.05 62.14 1m19 n THR 96 Cb 0.94 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 69.29 1m19 n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1m19 s LEU 97 N 0.35 1.79 0.01 -4.42 2.96 -1.26 -4.98 118.68 113.13 1m19 s LEU 97 Ca 0.80 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 54.33 1m19 s LEU 97 Cb -1.12 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1m19 s LEU 97 CO 0.52 0.09 0.22 -0.31 -1.32 0.00 0.00 176.35 175.54 1m19 s TYR 98 N 0.43 3.55 0.00 5.38 2.02 -1.26 -4.67 117.35 122.80 1m19 s TYR 98 Ca -0.12 0.42 0.00 0.00 -0.37 0.00 0.00 57.07 57.00 1m19 s TYR 98 Cb -0.15 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 1m19 s TYR 98 CO 0.04 0.62 0.00 0.41 -1.57 0.00 0.00 175.55 175.05 1m19 n GLY 99 N 0.90 0.86 0.26 0.71 0.00 -1.26 -4.98 105.19 101.67 1m19 n GLY 99 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.98 1m19 n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1m19 n PHE 100 N -0.79 0.00 0.00 1.61 3.01 -1.26 -5.11 117.46 114.92 1m19 n PHE 100 Ca 0.00 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 57.79 1m19 n PHE 100 Cb 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1m19 n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m19 n GLY 101 N -0.91 1.20 3.26 1.37 0.00 -1.26 -4.55 105.19 104.30 1m19 n GLY 101 Ca 0.10 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1m19 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93