#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 1.32 0.00 2.03 -4.23 -1.26 -5.09 115.64 108.41 1u96 s THR 2 Ca 0.00 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1u96 s THR 2 Cb 0.00 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.67 1u96 s THR 2 CO 0.00 0.08 0.40 -0.62 -0.54 0.00 0.00 174.62 173.94 1u96 n GLU 3 N 1.88 0.00 0.08 3.99 -0.58 -1.26 -4.99 120.64 119.76 1u96 n GLU 3 Ca -0.18 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1u96 n GLU 3 Cb 0.54 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1u96 n GLU 3 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1u96 n THR 4 N -1.52 0.00 -3.76 2.62 -2.24 -1.26 -5.08 114.28 103.05 1u96 n THR 4 Ca 0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1u96 n THR 4 Cb 0.00 -0.21 -0.13 0.00 -2.10 0.00 0.00 70.33 67.89 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 -4.14 5.12 -0.07 3.42 1.11 -1.26 -4.93 116.67 115.93 1u96 s ASP 5 Ca 0.00 -0.65 0.09 0.00 0.18 0.00 0.00 52.55 52.17 1u96 s ASP 5 Cb 0.00 -1.89 -0.13 0.00 1.07 0.00 0.00 42.92 41.97 1u96 s ASP 5 CO 0.00 -0.17 0.10 1.17 1.18 0.00 0.00 175.17 177.45 1u96 n LYS 6 N 4.87 1.70 -3.65 8.23 3.00 -1.26 -5.01 118.16 126.04 1u96 n LYS 6 Ca -0.15 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.31 58.07 1u96 n LYS 6 Cb 0.48 -1.24 -0.07 0.00 0.00 0.00 0.00 35.03 34.21 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 -2.40 0.65 -0.07 1.64 2.36 -1.26 -5.08 119.74 115.59 1u96 s LYS 7 Ca -0.04 1.26 -0.06 0.00 -2.55 0.00 0.00 55.97 54.58 1u96 s LYS 7 Cb 0.04 0.31 0.02 0.00 -1.05 0.00 0.00 37.83 37.15 1u96 s LYS 7 CO 0.40 -0.16 0.11 0.94 1.55 0.00 0.00 175.35 178.19 1u96 n GLN 8 N 4.60 -4.58 -2.07 4.03 7.27 -1.26 -4.89 117.38 120.48 1u96 n GLN 8 Ca -0.18 3.41 -0.42 0.00 0.07 0.00 0.00 57.00 59.88 1u96 n GLN 8 Cb 0.56 -4.59 -0.03 0.00 2.41 0.00 0.00 30.24 28.60 1u96 n GLN 8 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1u96 s GLU 9 N -0.72 4.29 -0.25 3.69 2.12 -1.26 -5.00 118.70 121.58 1u96 s GLU 9 Ca -0.13 2.22 -0.08 0.00 0.36 0.00 0.00 54.97 57.34 1u96 s GLU 9 Cb 0.01 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 1u96 s GLU 9 CO 0.34 -0.42 0.10 -1.14 -0.54 0.00 0.00 175.26 173.61 1u96 s GLN 10 N 0.19 3.79 -0.23 4.30 0.74 -1.26 -5.05 119.66 122.13 1u96 s GLN 10 Ca 0.61 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 55.32 1u96 s GLN 10 Cb -0.40 -3.40 -0.02 0.00 1.10 0.00 0.00 33.01 30.28 1u96 s GLN 10 CO 0.38 -0.11 1.59 -1.21 -0.55 0.00 0.00 175.29 175.38 1u96 s GLU 11 N 1.46 3.81 -0.08 1.67 0.41 -1.26 -4.98 118.70 119.74 1u96 s GLU 11 Ca 0.06 1.63 -0.11 0.00 -0.41 0.00 0.00 54.97 56.14 1u96 s GLU 11 Cb -0.15 -4.02 0.03 0.00 -1.78 0.00 0.00 34.13 28.21 1u96 s GLU 11 CO 0.05 -1.27 0.29 1.21 -0.49 0.00 0.00 175.26 175.05 1u96 s ASN 12 N 4.09 -0.25 0.00 -0.19 2.47 -1.26 -4.85 114.94 114.94 1u96 s ASN 12 Ca 0.70 0.42 0.00 0.00 0.42 0.00 0.00 52.86 54.40 1u96 s ASN 12 Cb -0.24 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.06 1u96 s ASN 12 CO 0.29 -0.20 0.00 0.00 -3.72 0.00 0.00 177.10 173.47 1u96 n HIS 13 N 2.44 0.00 0.00 0.43 1.44 -1.26 -5.08 115.22 113.19 1u96 n HIS 13 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 1u96 n HIS 13 Cb 0.57 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 1u96 n HIS 13 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1u96 n ALA 14 N -1.07 0.00 -3.95 1.59 0.00 -1.26 -5.17 120.51 110.65 1u96 n ALA 14 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1u96 n ALA 14 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1u96 n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u96 n GLU 15 N -2.23 0.35 -2.68 0.00 1.02 -1.26 -5.05 120.64 110.79 1u96 n GLU 15 Ca 0.00 -2.41 -0.04 0.00 -0.02 0.00 0.00 57.16 54.69 1u96 n GLU 15 Cb 0.00 1.87 -0.03 0.00 -0.02 0.00 0.00 31.44 33.26 1u96 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u96 s GLU 17 N -0.88 1.66 2.53 0.00 2.12 -1.26 -4.97 118.70 117.90 1u96 s GLU 17 Ca -0.19 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.00 1u96 s GLU 17 Cb 0.01 -1.89 0.00 0.00 0.26 0.00 0.00 34.13 32.51 1u96 s GLU 17 CO 0.72 0.48 0.00 -0.25 -0.54 0.00 0.00 175.26 175.67 1u96 n ASP 18 N 1.60 -2.63 -2.45 -1.70 8.00 -1.26 -5.01 116.55 113.11 1u96 n ASP 18 Ca -0.17 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.29 1u96 n ASP 18 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 1u96 n ASP 18 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u96 n LYS 19 N -0.05 -4.49 -0.64 -1.24 5.02 -1.26 -4.88 118.16 110.62 1u96 n LYS 19 Ca 0.00 3.37 0.03 0.00 -2.02 0.00 0.00 58.31 59.69 1u96 n LYS 19 Cb 0.00 -4.72 0.27 0.00 -0.02 0.00 0.00 35.03 30.56 1u96 n LYS 19 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1u96 n PRO 20 N 1.63 3.57 -3.05 1.97 -0.04 -1.26 -4.91 135.00 132.91 1u96 n PRO 20 Ca -0.29 -2.17 -0.08 0.00 -0.04 0.00 0.00 63.50 60.91 1u96 n PRO 20 Cb 0.45 -2.02 0.04 0.00 -0.04 0.00 0.00 33.50 31.93 1u96 n PRO 20 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u96 n LYS 21 N 0.35 -1.75 -1.78 0.54 5.02 -1.26 -4.88 118.16 114.41 1u96 n LYS 21 Ca 0.21 1.05 -0.43 0.00 -2.02 0.00 0.00 58.31 57.12 1u96 n LYS 21 Cb 0.94 -5.49 -0.03 0.00 -0.02 0.00 0.00 35.03 30.43 1u96 n LYS 21 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u96 s PRO 22 N -3.78 3.71 0.00 1.97 0.04 -1.26 -4.71 135.00 130.97 1u96 s PRO 22 Ca 0.26 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1u96 s PRO 22 Cb -0.03 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1u96 s PRO 22 CO 0.69 -1.43 0.35 0.00 0.04 0.00 0.00 177.00 176.65 1u96 n VAL 25 N 0.75 0.00 -1.95 0.00 3.14 -1.26 -5.12 118.33 113.88 1u96 n VAL 25 Ca 0.09 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.07 1u96 n VAL 25 Cb 0.37 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.14 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 0.53 0.00 0.02 0.00 4.81 -1.26 -4.86 118.16 117.40 1u96 n LYS 27 Ca 0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.35 1u96 n LYS 27 Cb 0.41 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.38 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1u96 h PRO 28 N 0.00 -0.15 0.00 1.64 0.13 -2.01 -3.05 132.00 128.57 1u96 h PRO 28 Ca 0.00 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1u96 h PRO 28 Cb 0.00 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 1u96 h PRO 28 CO 0.00 0.31 -0.07 0.93 -0.23 0.00 0.00 178.00 178.94 1u96 h GLU 29 N -0.91 0.00 0.42 0.86 4.39 -1.97 -1.98 114.58 115.40 1u96 h GLU 29 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1u96 h GLU 29 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1u96 h GLU 29 CO 0.03 0.07 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.53 1u96 h LYS 30 N 0.00 -0.55 -0.90 2.33 3.64 -1.92 -1.46 116.57 117.71 1u96 h LYS 30 Ca -0.00 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1u96 h LYS 30 Cb 0.16 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1u96 h LYS 30 CO 0.01 -0.24 0.52 0.93 -2.27 0.00 0.00 179.45 178.40 1u96 h GLU 31 N -0.92 1.25 -0.38 1.90 4.39 -1.40 -1.70 114.58 117.72 1u96 h GLU 31 Ca -0.06 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 1u96 h GLU 31 Cb 0.56 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1u96 h GLU 31 CO 0.10 0.89 0.14 0.93 -1.16 0.00 0.00 179.01 179.90 1u96 h GLU 32 N 1.26 0.57 0.13 2.33 4.39 -1.40 -1.37 114.58 120.49 1u96 h GLU 32 Ca 0.32 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1u96 h GLU 32 Cb -0.01 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1u96 h GLU 32 CO -0.06 0.56 -0.06 -0.09 -1.16 0.00 0.00 179.01 178.20 1u96 h ARG 33 N 0.46 -0.17 -0.82 2.33 2.43 -1.01 -1.56 114.38 116.04 1u96 h ARG 33 Ca 0.12 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1u96 h ARG 33 Cb 0.22 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1u96 h ARG 33 CO -0.01 0.03 0.50 -0.44 -1.51 0.00 0.00 179.97 178.55 1u96 h ASP 34 N -0.35 0.79 -0.62 -3.80 3.32 -1.30 -1.47 116.42 112.98 1u96 h ASP 34 Ca -0.02 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1u96 h ASP 34 Cb 0.28 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1u96 h ASP 34 CO 0.03 0.51 0.31 0.74 -1.72 0.00 0.00 179.24 179.11 1u96 h THR 35 N 0.92 1.21 -0.36 0.35 2.02 -1.12 0.72 112.91 116.65 1u96 h THR 35 Ca 0.36 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1u96 h THR 35 Cb 0.16 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1u96 h THR 35 CO -0.17 0.24 0.21 0.00 0.37 0.00 0.00 175.52 176.17 1u96 h ILE 37 N 0.47 0.23 -0.04 0.00 2.04 -1.08 0.65 117.51 119.79 1u96 h ILE 37 Ca 0.13 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1u96 h ILE 37 Cb 0.02 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1u96 h ILE 37 CO -0.02 0.09 -0.25 0.25 0.00 0.00 0.00 178.15 178.22 1u96 h LEU 38 N 0.00 0.28 0.00 1.44 6.46 -0.13 -2.79 115.31 120.57 1u96 h LEU 38 Ca -0.00 -0.68 -0.03 0.00 -0.12 0.00 0.00 57.88 57.05 1u96 h LEU 38 Cb 0.66 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1u96 h LEU 38 CO 0.01 0.92 -0.38 -0.26 -0.62 0.00 0.00 178.44 178.11 1u96 h PHE 39 N -0.33 0.00 0.16 1.25 0.04 -1.27 -3.42 116.94 113.36 1u96 h PHE 39 Ca -0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1u96 h PHE 39 Cb 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1u96 h PHE 39 CO 0.15 0.31 -0.07 -0.91 -0.60 0.00 0.00 178.31 177.18 1u96 h ASN 40 N -1.00 -0.18 -4.98 2.17 4.21 -1.09 -3.51 115.58 111.20 1u96 h ASN 40 Ca -0.05 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1u96 h ASN 40 Cb 0.49 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1u96 h ASN 40 CO -0.03 0.11 0.00 0.61 -1.29 0.00 0.00 177.43 176.83 1u96 n GLY 41 N 1.06 0.83 0.00 2.83 0.00 -0.91 -4.72 105.19 104.28 1u96 n GLY 41 Ca -0.03 -2.32 0.12 0.00 0.00 0.00 0.00 46.02 43.80 1u96 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u96 n GLN 42 N -0.93 0.24 -3.70 1.61 6.02 -1.26 -4.37 117.38 114.98 1u96 n GLN 42 Ca 0.00 0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.75 1u96 n GLN 42 Cb 0.00 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.62 1u96 n GLN 42 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u96 s ASP 43 N -2.72 3.77 -0.31 1.08 1.11 -1.26 -4.70 116.67 113.63 1u96 s ASP 43 Ca 0.20 -2.16 -0.06 0.00 0.18 0.00 0.00 52.55 50.71 1u96 s ASP 43 Cb 0.17 -0.92 0.19 0.00 1.07 0.00 0.00 42.92 43.43 1u96 s ASP 43 CO 0.42 -0.34 0.93 -0.55 1.18 0.00 0.00 175.17 176.81 1u96 s SER 44 N 0.96 -0.71 -1.74 0.27 0.15 -1.26 -4.93 113.70 106.43 1u96 s SER 44 Ca 0.14 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1u96 s SER 44 Cb -0.21 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1u96 s SER 44 CO -0.10 -0.11 0.00 -0.62 1.20 0.00 0.00 173.24 173.60 1u96 n GLU 45 N 4.76 -1.52 -2.74 5.44 1.02 -1.26 -3.56 120.64 122.78 1u96 n GLU 45 Ca 0.08 0.97 -0.01 0.00 -0.02 0.00 0.00 57.16 58.18 1u96 n GLU 45 Cb 0.58 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.62 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 -2.36 -3.39 -0.13 3.49 4.01 -1.26 -4.85 118.16 113.66 1u96 n LYS 46 Ca -0.18 2.73 0.01 0.00 -0.51 0.00 0.00 58.31 60.36 1u96 n LYS 46 Cb 0.59 -5.42 0.06 0.00 -0.51 0.00 0.00 35.03 29.75 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1u96 n LYS 48 N 0.06 0.05 -0.28 0.00 4.76 -1.26 -2.79 118.16 118.69 1u96 n LYS 48 Ca 0.04 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1u96 n LYS 48 Cb 0.36 -1.61 0.13 0.00 -1.84 0.00 0.00 35.03 32.06 1u96 n LYS 48 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1u96 h GLU 49 N 0.00 0.84 -0.39 1.97 4.81 -1.95 -1.20 114.58 118.65 1u96 h GLU 49 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1u96 h GLU 49 Cb 0.18 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1u96 h GLU 49 CO 0.00 0.56 0.12 0.74 -0.73 0.00 0.00 179.01 179.70 1u96 h PHE 50 N 0.87 0.63 0.70 0.92 -1.00 -1.88 -1.41 116.94 115.77 1u96 h PHE 50 Ca 0.35 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 61.03 1u96 h PHE 50 Cb 0.19 -0.18 0.01 0.00 3.61 0.00 0.00 35.95 39.57 1u96 h PHE 50 CO -0.05 0.60 -0.34 0.82 -1.61 0.00 0.00 178.31 177.73 1u96 h ILE 51 N 0.49 0.31 -0.99 -0.55 2.04 -1.60 -1.00 117.51 116.21 1u96 h ILE 51 Ca 0.13 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.09 1u96 h ILE 51 Cb 0.26 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 1u96 h ILE 51 CO -0.00 0.00 0.62 -0.33 0.00 0.00 0.00 178.15 178.44 1u96 h GLU 52 N -0.94 0.98 -0.72 2.37 5.08 -1.25 -0.93 114.58 119.17 1u96 h GLU 52 Ca -0.10 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1u96 h GLU 52 Cb 0.72 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1u96 h GLU 52 CO 0.16 0.65 0.33 -0.22 -1.00 0.00 0.00 179.01 178.93 1u96 h LYS 53 N 1.01 1.05 0.78 2.33 3.11 -1.05 -1.60 116.57 122.21 1u96 h LYS 53 Ca 0.48 -0.16 -0.04 0.00 -2.81 0.00 0.00 60.65 58.12 1u96 h LYS 53 Cb 0.42 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1u96 h LYS 53 CO -0.25 0.83 -0.43 -0.92 -2.81 0.00 0.00 179.45 175.87 1u96 h TYR 54 N 1.02 -1.14 -0.86 1.91 3.20 0.17 -0.25 116.97 121.02 1u96 h TYR 54 Ca 0.25 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.25 1u96 h TYR 54 Cb 0.14 0.40 -0.09 0.00 1.54 0.00 0.00 36.73 38.71 1u96 h TYR 54 CO 0.01 -0.67 0.44 0.87 -1.64 0.00 0.00 178.16 177.17 1u96 h LYS 55 N -1.13 0.61 -0.20 1.82 1.57 -1.32 0.15 116.57 118.08 1u96 h LYS 55 Ca -0.10 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1u96 h LYS 55 Cb 0.89 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1u96 h LYS 55 CO 0.14 0.41 -0.12 1.49 -0.57 0.00 0.00 179.45 180.79 1u96 h GLU 56 N 0.63 0.33 0.00 3.15 4.81 -1.02 -1.90 114.58 120.58 1u96 h GLU 56 Ca 0.47 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1u96 h GLU 56 Cb 0.66 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1u96 h GLU 56 CO -0.36 0.46 -0.36 0.00 -0.73 0.00 0.00 179.01 178.02 1u96 h MET 58 N 0.00 0.00 0.00 0.00 2.86 -0.23 -3.35 114.93 114.21 1u96 h MET 58 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1u96 h MET 58 Cb 0.84 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1u96 h MET 58 CO 0.00 0.33 0.00 0.36 1.06 0.00 0.00 176.91 178.66 1u96 n LYS 59 N -4.64 0.01 0.19 1.72 0.00 -0.77 -2.47 118.16 112.20 1u96 n LYS 59 Ca -0.09 0.32 0.14 0.00 -0.00 0.00 0.00 58.31 58.68 1u96 n LYS 59 Cb 0.28 -1.50 0.67 0.00 -0.00 0.00 0.00 35.03 34.47 1u96 n LYS 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1u96 h GLY 60 N 1.74 0.00 0.00 2.58 0.00 -1.69 -3.10 103.07 102.60 1u96 h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u96 h GLY 60 CO 0.00 0.00 -0.80 -1.72 0.00 0.00 0.00 176.54 174.02 1u96 n TYR 61 N -2.47 0.00 -0.46 5.60 4.02 -1.03 -5.04 117.16 117.78 1u96 n TYR 61 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1u96 n TYR 61 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u96 n GLY 62 N 2.31 1.24 3.61 2.72 0.00 -1.14 -5.08 105.19 108.85 1u96 n GLY 62 Ca 0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 3.24 0.00 1.61 5.36 -1.24 -5.00 117.98 119.96 1u96 s PHE 63 Ca 0.00 0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 1u96 s PHE 63 Cb 0.00 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.53 1u96 s PHE 63 CO 0.00 0.06 0.00 0.39 -1.46 0.00 0.00 175.22 174.21 1u96 n GLU 64 N 3.92 0.00 -2.18 10.12 -0.58 -1.26 -4.70 120.64 125.96 1u96 n GLU 64 Ca -0.16 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.56 1u96 n GLU 64 Cb 0.52 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.38 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 -1.14-11.03 0.21 2.62 0.31 -1.26 -4.90 118.33 103.14 1u96 n VAL 65 Ca 0.00 2.41 0.09 0.00 -0.01 0.00 0.00 64.34 66.83 1u96 n VAL 65 Cb 0.00 -5.65 0.33 0.00 -0.91 0.00 0.00 33.84 27.62 1u96 n VAL 65 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1u96 h PRO 66 N 3.32 0.00 -6.33 5.55 0.11 -1.95 -3.44 132.00 129.25 1u96 h PRO 66 Ca -0.17 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.38 1u96 h PRO 66 Cb 0.39 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 1u96 h PRO 66 CO 0.00 0.25 -0.07 -1.54 -0.21 0.00 0.00 178.00 176.43 1u96 s SER 67 N -6.22 6.85 0.57 -2.05 1.04 -1.26 -5.09 113.70 107.53 1u96 s SER 67 Ca 0.02 1.11 0.08 0.00 0.48 0.00 0.00 55.95 57.64 1u96 s SER 67 Cb 0.09 -2.30 0.08 0.00 0.10 0.00 0.00 66.02 63.98 1u96 s SER 67 CO 0.66 0.11 0.68 0.00 0.98 0.00 0.00 173.24 175.67 1u96 s ALA 68 N -1.45 4.65 -2.26 5.32 0.00 -1.26 -5.02 121.76 121.73 1u96 s ALA 68 Ca 0.38 -1.88 0.30 0.00 0.00 0.00 0.00 51.96 50.75 1u96 s ALA 68 Cb -0.15 -1.23 1.46 0.00 0.00 0.00 0.00 23.12 23.20 1u96 s ALA 68 CO 0.19 -0.76 1.98 -1.71 0.00 0.00 0.00 175.76 175.46