#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u96 s THR 2 N 0.00 1.45 -0.03 2.03 -4.23 -1.26 -5.15 115.64 108.45 1u96 s THR 2 Ca 0.00 -1.38 -0.25 0.00 -1.18 0.00 0.00 61.69 58.88 1u96 s THR 2 Cb 0.00 -1.33 0.05 0.00 1.34 0.00 0.00 72.50 72.56 1u96 s THR 2 CO 0.00 -0.08 0.54 -1.83 -0.54 0.00 0.00 174.62 172.71 1u96 s GLU 3 N -1.71 0.93 -0.08 3.99 1.03 -1.26 -5.10 118.70 116.50 1u96 s GLU 3 Ca 0.03 0.07 -0.07 0.00 0.03 0.00 0.00 54.97 55.03 1u96 s GLU 3 Cb -0.10 0.43 -0.02 0.00 -0.80 0.00 0.00 34.13 33.64 1u96 s GLU 3 CO 0.03 -0.29 -0.14 0.25 -1.33 0.00 0.00 175.26 173.79 1u96 n THR 4 N 0.98 0.66 -4.17 1.83 -2.24 -1.26 -5.05 114.28 105.04 1u96 n THR 4 Ca -0.20 0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 61.77 1u96 n THR 4 Cb 0.57 -1.88 -0.12 0.00 -2.10 0.00 0.00 70.33 66.79 1u96 n THR 4 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1u96 s ASP 5 N -4.77 1.22 0.00 3.42 1.01 -1.26 -4.98 116.67 111.31 1u96 s ASP 5 Ca -0.12 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.65 1u96 s ASP 5 Cb 0.02 -0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.92 1u96 s ASP 5 CO 0.17 -0.09 0.00 1.17 0.21 0.00 0.00 175.17 176.63 1u96 n LYS 6 N 1.67 0.00 -3.67 8.23 3.00 -1.26 -5.11 118.16 121.01 1u96 n LYS 6 Ca -0.20 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 57.93 1u96 n LYS 6 Cb 0.55 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.42 1u96 n LYS 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1u96 s LYS 7 N 0.00 0.01 0.04 1.64 2.20 -1.26 -5.05 119.74 117.33 1u96 s LYS 7 Ca 0.00 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1u96 s LYS 7 Cb 0.00 -0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 1u96 s LYS 7 CO 0.00 -0.31 0.00 0.94 -0.36 0.00 0.00 175.35 175.62 1u96 n GLN 8 N 5.27 -4.91 -0.88 4.03 -0.06 -1.26 -5.00 117.38 114.57 1u96 n GLN 8 Ca -0.05 3.58 -0.29 0.00 -2.00 0.00 0.00 57.00 58.24 1u96 n GLN 8 Cb 0.50 -4.38 0.25 0.00 -4.06 0.00 0.00 30.24 22.55 1u96 n GLN 8 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1u96 n GLU 9 N 1.72 -3.38 -4.37 3.69 -0.58 -1.26 -5.07 120.64 111.39 1u96 n GLU 9 Ca 0.00 -1.65 -0.28 0.00 -0.42 0.00 0.00 57.16 54.81 1u96 n GLU 9 Cb 0.00 -1.63 -0.13 0.00 -0.57 0.00 0.00 31.44 29.11 1u96 n GLU 9 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1u96 s GLN 10 N -5.35 1.36 -0.36 3.49 -0.21 -1.26 -5.08 119.66 112.25 1u96 s GLN 10 Ca 0.68 -1.34 -0.28 0.00 0.02 0.00 0.00 55.36 54.44 1u96 s GLN 10 Cb -0.08 -1.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.14 1u96 s GLN 10 CO 0.53 0.41 1.81 -1.21 -2.12 0.00 0.00 175.29 174.71 1u96 s GLU 11 N -2.13 3.26 -0.69 2.91 0.41 -1.26 -4.94 118.70 116.26 1u96 s GLU 11 Ca 0.13 1.35 -0.23 0.00 -0.41 0.00 0.00 54.97 55.82 1u96 s GLU 11 Cb -0.10 -4.22 0.07 0.00 -1.78 0.00 0.00 34.13 28.11 1u96 s GLU 11 CO 0.06 -1.95 1.00 -0.80 -0.49 0.00 0.00 175.26 173.08 1u96 s ASN 12 N 6.32 6.21 0.00 -0.19 -0.87 -1.26 -4.56 114.94 120.60 1u96 s ASN 12 Ca 0.79 -1.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.03 1u96 s ASN 12 Cb -0.21 -2.43 0.00 0.00 -0.02 0.00 0.00 41.25 38.59 1u96 s ASN 12 CO 0.32 -1.44 0.00 1.57 -2.57 0.00 0.00 177.10 174.98 1u96 n HIS 13 N 7.73 -0.78 0.00 2.20 -0.00 -1.26 -5.11 115.22 118.01 1u96 n HIS 13 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1u96 n HIS 13 Cb 0.46 0.16 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 1u96 n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1u96 n ALA 14 N -1.44 0.00 -1.97 1.57 0.00 -1.26 -5.15 120.51 112.25 1u96 n ALA 14 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1u96 n ALA 14 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1u96 n ALA 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1u96 s GLU 15 N -0.96 0.91 0.00 0.00 0.41 -1.26 -5.03 118.70 112.77 1u96 s GLU 15 Ca 0.00 -0.86 0.00 0.00 -0.41 0.00 0.00 54.97 53.70 1u96 s GLU 15 Cb 0.00 -2.06 0.00 0.00 -1.78 0.00 0.00 34.13 30.29 1u96 s GLU 15 CO 0.00 -2.11 0.56 0.00 -0.49 0.00 0.00 175.26 173.22 1u96 n GLU 17 N 0.00 0.00 -0.91 0.00 1.02 -1.26 -4.76 120.64 114.73 1u96 n GLU 17 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1u96 n GLU 17 Cb 0.56 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.17 1u96 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1u96 s ASP 18 N -4.00 2.31 -0.16 1.62 1.01 -1.26 -4.68 116.67 111.51 1u96 s ASP 18 Ca 0.00 1.50 -0.11 0.00 0.71 0.00 0.00 52.55 54.65 1u96 s ASP 18 Cb 0.00 -2.18 0.04 0.00 1.01 0.00 0.00 42.92 41.79 1u96 s ASP 18 CO 0.00 -3.37 0.22 1.17 0.21 0.00 0.00 175.17 173.39 1u96 n LYS 19 N -4.37 -4.77 0.00 8.23 4.81 -1.26 -4.93 118.16 115.87 1u96 n LYS 19 Ca 0.06 3.56 0.00 0.00 -0.87 0.00 0.00 58.31 61.06 1u96 n LYS 19 Cb 0.55 -5.06 0.00 0.00 0.02 0.00 0.00 35.03 30.54 1u96 n LYS 19 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1u96 n PRO 20 N 1.75 0.00 -2.67 1.64 -0.04 -1.26 -4.89 135.00 129.53 1u96 n PRO 20 Ca -0.37 0.30 -0.06 0.00 -0.04 0.00 0.00 63.50 63.34 1u96 n PRO 20 Cb 0.57 -1.06 0.08 0.00 -0.04 0.00 0.00 33.50 33.05 1u96 n PRO 20 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1u96 n LYS 21 N -1.41 0.91 0.00 0.54 2.85 -1.26 -5.06 118.16 114.73 1u96 n LYS 21 Ca 0.00 -1.46 0.00 0.00 -1.05 0.00 0.00 58.31 55.80 1u96 n LYS 21 Cb 0.00 -0.01 0.00 0.00 -0.65 0.00 0.00 35.03 34.37 1u96 n LYS 21 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1u96 n PRO 22 N -0.61 0.00 -1.25 -1.58 -0.04 -1.26 -4.93 135.00 125.33 1u96 n PRO 22 Ca -0.10 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.28 1u96 n PRO 22 Cb 0.79 -0.27 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u96 n VAL 25 N 0.46 0.00 -3.21 0.00 3.14 -1.26 -5.03 118.33 112.43 1u96 n VAL 25 Ca 0.10 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.09 1u96 n VAL 25 Cb 0.39 -0.63 -0.06 0.00 -1.06 0.00 0.00 33.84 32.48 1u96 n VAL 25 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1u96 n LYS 27 N 4.13 0.00 -0.02 0.00 5.02 -1.26 -4.82 118.16 121.21 1u96 n LYS 27 Ca -0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.13 1u96 n LYS 27 Cb 0.51 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.42 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1u96 h PRO 28 N 0.00 -0.07 -0.48 1.97 0.13 -2.00 -2.89 132.00 128.66 1u96 h PRO 28 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 1u96 h PRO 28 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 1u96 h PRO 28 CO 0.00 0.56 0.14 1.49 -0.23 0.00 0.00 178.00 179.96 1u96 h GLU 29 N -0.83 0.71 -0.47 0.86 4.57 -1.97 -1.77 114.58 115.69 1u96 h GLU 29 Ca -0.01 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 1u96 h GLU 29 Cb 0.66 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 1u96 h GLU 29 CO 0.01 0.63 -0.09 -0.22 -1.18 0.00 0.00 179.01 178.16 1u96 h LYS 30 N 0.70 0.84 0.22 1.92 3.64 -1.88 -1.15 116.57 120.85 1u96 h LYS 30 Ca 0.16 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1u96 h LYS 30 Cb 0.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1u96 h LYS 30 CO -0.01 0.89 -0.11 1.49 -2.27 0.00 0.00 179.45 179.45 1u96 h GLU 31 N 0.76 -0.29 -0.98 1.90 4.81 -1.22 -1.71 114.58 117.85 1u96 h GLU 31 Ca 0.13 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1u96 h GLU 31 Cb 0.58 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 1u96 h GLU 31 CO 0.04 0.07 0.64 0.93 -0.73 0.00 0.00 179.01 179.96 1u96 h GLU 32 N -0.72 1.17 0.53 1.92 5.08 -1.34 -0.70 114.58 120.52 1u96 h GLU 32 Ca -0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1u96 h GLU 32 Cb 0.49 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1u96 h GLU 32 CO 0.05 0.77 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.49 1u96 h ARG 33 N 1.21 -0.68 -0.87 2.33 2.43 -1.21 -1.62 114.38 115.97 1u96 h ARG 33 Ca 0.40 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.72 1u96 h ARG 33 Cb 0.06 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.69 1u96 h ARG 33 CO -0.14 -0.38 0.51 0.22 -1.51 0.00 0.00 179.97 178.67 1u96 h ASP 34 N -0.92 0.74 -0.41 -3.80 3.58 -1.13 -0.91 116.42 113.57 1u96 h ASP 34 Ca -0.07 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1u96 h ASP 34 Cb 0.61 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 1u96 h ASP 34 CO 0.12 0.41 0.24 0.74 -2.88 0.00 0.00 179.24 177.87 1u96 h THR 35 N 0.84 1.14 -0.18 2.25 2.02 -1.07 -1.33 112.91 116.59 1u96 h THR 35 Ca 0.42 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1u96 h THR 35 Cb 0.38 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1u96 h THR 35 CO -0.25 0.15 -0.17 0.00 0.37 0.00 0.00 175.52 175.62 1u96 h ILE 37 N 0.28 1.34 0.00 0.00 2.04 -0.72 0.53 117.51 120.98 1u96 h ILE 37 Ca 0.05 -1.89 -0.19 0.00 1.00 0.00 0.00 64.86 63.83 1u96 h ILE 37 Cb 0.46 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1u96 h ILE 37 CO 0.03 0.58 -0.99 -0.07 0.00 0.00 0.00 178.15 177.70 1u96 h LEU 38 N 0.38 0.00 0.00 1.44 3.38 -0.97 -2.81 115.31 116.72 1u96 h LEU 38 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1u96 h LEU 38 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1u96 h LEU 38 CO 0.11 0.85 -0.25 0.49 0.09 0.00 0.00 178.44 179.72 1u96 n PHE 39 N -3.25 0.48 -2.14 1.13 3.01 -0.10 -4.74 117.46 111.85 1u96 n PHE 39 Ca -0.02 0.21 -0.15 0.00 1.01 0.00 0.00 57.45 58.50 1u96 n PHE 39 Cb 0.90 -0.52 0.05 0.00 -0.01 0.00 0.00 39.48 39.90 1u96 n PHE 39 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1u96 n ASN 40 N -3.44 3.78 0.00 4.37 3.02 0.13 -5.05 115.26 118.06 1u96 n ASN 40 Ca -0.04 -3.38 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 1u96 n ASN 40 Cb 0.13 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1u96 n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u96 n GLY 41 N -0.70 5.34 3.79 7.41 0.00 0.16 -3.90 105.19 117.30 1u96 n GLY 41 Ca 0.33 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1u96 n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u96 n GLN 42 N 0.00 0.00 0.00 1.61 7.27 -1.08 -3.54 117.38 121.64 1u96 n GLN 42 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1u96 n GLN 42 Cb 0.00 -3.35 0.00 0.00 2.41 0.00 0.00 30.24 29.30 1u96 n GLN 42 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1u96 n ASP 43 N 0.00 0.00 0.00 1.69 5.75 -1.26 -4.92 116.55 117.81 1u96 n ASP 43 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1u96 n ASP 43 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1u96 n ASP 43 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1u96 n SER 44 N -0.38 0.00 -0.30 -1.12 7.64 -1.23 -4.33 113.62 113.90 1u96 n SER 44 Ca 0.00 0.79 0.04 0.00 1.01 0.00 0.00 58.87 60.71 1u96 n SER 44 Cb 0.00 -0.29 0.03 0.00 -1.01 0.00 0.00 64.21 62.94 1u96 n SER 44 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u96 n GLU 45 N -1.44 0.52 -0.02 1.43 1.02 -1.25 -4.97 120.64 115.93 1u96 n GLU 45 Ca 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1u96 n GLU 45 Cb 0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1u96 n LYS 46 N 0.32 0.00 -2.11 3.49 4.76 -1.26 -3.65 118.16 119.72 1u96 n LYS 46 Ca 0.05 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.33 1u96 n LYS 46 Cb 0.20 -3.09 -0.03 0.00 -1.84 0.00 0.00 35.03 30.27 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u96 h LYS 48 N 0.00 0.00 -0.27 0.00 1.57 -2.00 -1.22 116.57 114.64 1u96 h LYS 48 Ca -0.34 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1u96 h LYS 48 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1u96 h LYS 48 CO 0.43 0.00 0.08 0.93 -0.57 0.00 0.00 179.45 180.32 1u96 h GLU 49 N 0.00 0.43 -0.19 3.15 5.08 -1.87 -2.00 114.58 119.18 1u96 h GLU 49 Ca 0.14 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1u96 h GLU 49 Cb 0.74 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1u96 h GLU 49 CO -0.00 0.51 -0.39 0.74 -1.00 0.00 0.00 179.01 178.87 1u96 h PHE 50 N 0.28 0.52 0.24 4.33 0.04 -1.62 -1.35 116.94 119.37 1u96 h PHE 50 Ca 0.09 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1u96 h PHE 50 Cb 0.26 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1u96 h PHE 50 CO 0.01 0.77 -0.11 0.82 -0.60 0.00 0.00 178.31 179.19 1u96 h ILE 51 N 0.37 0.82 -0.40 -0.55 2.04 -1.30 -1.08 117.51 117.41 1u96 h ILE 51 Ca 0.03 -0.35 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 1u96 h ILE 51 Cb 0.85 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1u96 h ILE 51 CO 0.07 0.08 -0.26 1.05 0.00 0.00 0.00 178.15 179.08 1u96 h GLU 52 N -0.49 0.88 -0.65 2.37 4.11 -1.39 -1.28 114.58 118.13 1u96 h GLU 52 Ca -0.03 -0.41 0.02 0.00 0.07 0.00 0.00 59.36 59.00 1u96 h GLU 52 Cb 0.37 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1u96 h GLU 52 CO 0.05 1.06 0.43 -0.22 0.07 0.00 0.00 179.01 180.40 1u96 h LYS 53 N 0.69 0.81 0.18 1.06 3.64 -1.24 0.11 116.57 121.81 1u96 h LYS 53 Ca 0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1u96 h LYS 53 Cb 0.84 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1u96 h LYS 53 CO 0.07 0.53 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.78 1u96 h TYR 54 N 0.83 -0.23 -0.41 1.91 3.20 -0.99 -0.96 116.97 120.31 1u96 h TYR 54 Ca 0.25 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.20 1u96 h TYR 54 Cb -0.03 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1u96 h TYR 54 CO -0.00 0.19 0.29 1.57 -1.64 0.00 0.00 178.16 178.57 1u96 h LYS 55 N -0.81 0.14 0.12 1.82 2.10 -1.00 0.17 116.57 119.12 1u96 h LYS 55 Ca -0.02 -0.01 -0.28 0.00 -2.00 0.00 0.00 60.65 58.34 1u96 h LYS 55 Cb 0.52 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1u96 h LYS 55 CO 0.04 0.09 -1.31 0.93 -2.00 0.00 0.00 179.45 177.21 1u96 h GLU 56 N 0.15 0.26 -0.00 0.07 5.08 -0.97 -1.97 114.58 117.19 1u96 h GLU 56 Ca 0.19 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1u96 h GLU 56 Cb 0.58 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1u96 h GLU 56 CO -0.03 1.18 -0.18 0.00 -1.00 0.00 0.00 179.01 178.99 1u96 n MET 58 N -1.49 0.56 0.20 0.00 2.81 0.51 -4.10 117.12 115.61 1u96 n MET 58 Ca 0.07 0.18 0.15 0.00 -1.81 0.00 0.00 57.70 56.28 1u96 n MET 58 Cb 0.34 -1.43 0.61 0.00 -0.71 0.00 0.00 33.22 32.02 1u96 n MET 58 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1u96 h LYS 59 N -0.38 0.00 0.15 0.03 -0.00 -1.50 0.26 116.57 115.13 1u96 h LYS 59 Ca -0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.07 1u96 h LYS 59 Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.93 1u96 h LYS 59 CO -0.21 0.00 -0.07 0.78 -0.00 0.00 0.00 179.45 179.94 1u96 h GLY 60 N 1.97 -0.22 -0.05 0.07 0.00 -1.77 -3.43 103.07 99.65 1u96 h GLY 60 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1u96 h GLY 60 CO 0.00 -0.08 0.00 2.98 0.00 0.00 0.00 176.54 179.44 1u96 n TYR 61 N -5.02 0.00 0.00 5.60 9.36 -1.19 -5.06 117.16 120.85 1u96 n TYR 61 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.13 1u96 n TYR 61 Cb 0.23 0.14 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1u96 n GLY 62 N 0.00 -1.89 3.65 2.98 0.00 0.90 -5.04 105.19 105.79 1u96 n GLY 62 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1u96 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u96 s PHE 63 N 0.00 -0.08 0.00 1.61 5.36 -1.19 -5.06 117.98 118.61 1u96 s PHE 63 Ca 0.00 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 1u96 s PHE 63 Cb 0.00 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 1u96 s PHE 63 CO 0.00 -0.04 0.00 0.39 -1.46 0.00 0.00 175.22 174.11 1u96 n GLU 64 N 2.08 0.00 -1.41 10.12 -0.58 -1.26 -4.91 120.64 124.68 1u96 n GLU 64 Ca -0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1u96 n GLU 64 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1u96 n GLU 64 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1u96 n VAL 65 N 0.00 -4.59 -1.93 2.62 0.31 -1.26 -4.87 118.33 108.61 1u96 n VAL 65 Ca 0.00 2.00 -0.19 0.00 -0.01 0.00 0.00 64.34 66.14 1u96 n VAL 65 Cb 0.00 -2.85 0.13 0.00 -0.91 0.00 0.00 33.84 30.20 1u96 n VAL 65 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1u96 n PRO 66 N 0.25 -0.59 -2.98 5.55 -0.05 -1.26 -4.81 135.00 131.10 1u96 n PRO 66 Ca 0.00 -1.61 -0.00 0.00 -0.05 0.00 0.00 63.50 61.84 1u96 n PRO 66 Cb 0.00 -0.81 -0.00 0.00 -0.05 0.00 0.00 33.50 32.64 1u96 n PRO 66 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 1u96 n SER 67 N -3.39 -6.85 -0.05 3.54 3.41 -1.26 -4.88 113.62 104.13 1u96 n SER 67 Ca 0.12 0.87 -0.06 0.00 -0.26 0.00 0.00 58.87 59.53 1u96 n SER 67 Cb 0.41 -3.13 0.12 0.00 -0.26 0.00 0.00 64.21 61.36 1u96 n SER 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u96 h ALA 68 N 3.54 0.94 0.00 7.33 0.00 -1.98 -3.51 119.26 125.58 1u96 h ALA 68 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1u96 h ALA 68 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1u96 h ALA 68 CO 0.04 0.61 0.00 0.09 0.00 0.00 0.00 179.25 179.99