#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 2.09 -0.06 1.12 -4.23 -1.26 -5.11 115.64 108.19 1u96 s THR 2 Ca 0.00 -0.14 -0.15 0.00 -1.18 0.00 0.00 61.69 60.22 1u96 s THR 2 Cb 0.00 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.92 1u96 s THR 2 CO 0.00 0.00 0.34 -0.70 -0.54 0.00 0.00 174.62 173.72 1u96 s GLU 3 N -5.54 0.59 -0.01 3.99 2.56 -1.26 -5.09 118.70 113.95 1u96 s GLU 3 Ca 0.66 0.08 -0.12 0.00 0.00 0.00 0.00 54.97 55.59 1u96 s GLU 3 Cb -0.08 0.27 -0.07 0.00 2.00 0.00 0.00 34.13 36.25 1u96 s GLU 3 CO 0.49 -0.14 0.73 1.79 -0.56 0.00 0.00 175.26 177.57 1u96 h THR 4 N 4.10 0.00 -2.99 -1.70 1.35 -2.07 -3.47 112.91 108.12 1u96 h THR 4 Ca -0.28 -0.25 -0.13 0.00 -0.55 0.00 0.00 66.41 65.19 1u96 h THR 4 Cb 1.18 0.00 -0.22 0.00 -1.73 0.00 0.00 68.15 67.37 1u96 h THR 4 CO 0.35 0.00 -0.30 1.51 -0.25 0.00 0.00 175.52 176.83 1u96 s ASP 5 N -3.72 -0.26 0.04 5.36 -4.77 -1.26 -5.05 116.67 107.01 1u96 s ASP 5 Ca -0.06 0.37 0.00 0.00 -3.30 0.00 0.00 52.55 49.56 1u96 s ASP 5 Cb 0.01 0.49 0.00 0.00 -1.09 0.00 0.00 42.92 42.33 1u96 s ASP 5 CO 0.19 -0.28 0.00 1.17 0.70 0.00 0.00 175.17 176.95 1u96 n LYS 6 N 2.09 0.00 -1.68 2.11 0.00 -1.26 -5.09 118.16 114.32 1u96 n LYS 6 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.72 1u96 n LYS 6 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.57 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 -2.00 4.10 0.01 1.64 2.20 -1.26 -4.96 119.74 119.47 1u96 s LYS 7 Ca 0.00 2.57 -0.23 0.00 -0.36 0.00 0.00 55.97 57.95 1u96 s LYS 7 Cb 0.00 -4.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.10 1u96 s LYS 7 CO 0.00 -1.00 0.69 -0.65 -0.36 0.00 0.00 175.35 174.02 1u96 s GLN 8 N 4.53 4.42 -0.05 4.03 -1.52 -1.26 -5.01 119.66 124.81 1u96 s GLN 8 Ca 0.88 0.91 -0.02 0.00 -1.95 0.00 0.00 55.36 55.18 1u96 s GLN 8 Cb -0.42 -3.36 -0.01 0.00 -0.22 0.00 0.00 33.01 29.00 1u96 s GLN 8 CO 0.41 0.30 0.12 0.93 -0.25 0.00 0.00 175.29 176.80 1u96 h GLU 9 N 5.76 -0.07 -5.00 2.91 5.08 -2.07 -3.50 114.58 117.70 1u96 h GLU 9 Ca -0.44 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1u96 h GLU 9 Cb 1.20 0.02 -0.13 0.00 0.50 0.00 0.00 28.75 30.34 1u96 h GLU 9 CO 0.71 -0.04 -1.57 0.94 -1.00 0.00 0.00 179.01 178.05 1u96 n GLN 10 N -3.60 -4.68 -2.85 2.33 -0.06 -1.26 -5.04 117.38 102.22 1u96 n GLN 10 Ca -0.01 3.51 -0.20 0.00 -2.00 0.00 0.00 57.00 58.30 1u96 n GLN 10 Cb 0.03 -5.04 0.06 0.00 -4.06 0.00 0.00 30.24 21.23 1u96 n GLN 10 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1u96 s GLU 11 N -0.66 2.29 0.59 3.69 2.02 -1.26 -5.12 118.70 120.26 1u96 s GLU 11 Ca -0.27 -1.28 -0.00 0.00 0.02 0.00 0.00 54.97 53.43 1u96 s GLU 11 Cb 0.02 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.73 1u96 s GLU 11 CO 0.74 -0.86 0.84 0.54 0.02 0.00 0.00 175.26 176.53 1u96 s ASN 12 N -4.58 5.12 0.00 -0.19 2.20 -1.26 -5.06 114.94 111.18 1u96 s ASN 12 Ca 0.61 0.06 -0.05 0.00 -0.94 0.00 0.00 52.86 52.54 1u96 s ASN 12 Cb -0.07 -0.87 -0.03 0.00 -2.00 0.00 0.00 41.25 38.28 1u96 s ASN 12 CO 0.39 -1.28 0.78 0.45 -2.94 0.00 0.00 177.10 174.50 1u96 h HIS 13 N -0.10 -0.18 0.00 1.54 3.86 -2.00 -3.46 115.15 114.81 1u96 h HIS 13 Ca -0.42 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1u96 h HIS 13 Cb 1.30 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.83 1u96 h HIS 13 CO 0.33 -0.11 0.00 0.00 0.86 0.00 0.00 177.93 179.01 1u96 n ALA 14 N -2.14 3.00 -3.64 2.45 0.00 -1.26 -5.13 120.51 113.79 1u96 n ALA 14 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1u96 n ALA 14 Cb 0.08 0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 1u96 n ALA 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1u96 s GLU 15 N -1.50 0.48 -0.18 0.00 -1.05 -1.26 -5.09 118.70 110.09 1u96 s GLU 15 Ca 0.00 0.61 -0.12 0.00 -0.15 0.00 0.00 54.97 55.31 1u96 s GLU 15 Cb 0.00 0.21 0.05 0.00 -0.44 0.00 0.00 34.13 33.94 1u96 s GLU 15 CO 0.00 -0.06 0.25 0.00 0.95 0.00 0.00 175.26 176.39 1u96 h GLU 17 N 4.07 0.97 -3.27 0.00 9.09 -1.98 -3.49 114.58 119.97 1u96 h GLU 17 Ca -0.57 -0.06 0.38 0.00 0.05 0.00 0.00 59.36 59.17 1u96 h GLU 17 Cb 1.27 -0.22 -0.12 0.00 -1.65 0.00 0.00 28.75 28.04 1u96 h GLU 17 CO 0.01 0.64 -0.68 -3.47 0.05 0.00 0.00 179.01 175.56 1u96 n ASP 18 N -4.43 -8.59 -2.47 3.06 2.03 -1.26 -5.02 116.55 99.87 1u96 n ASP 18 Ca 0.09 0.76 -0.05 0.00 0.52 0.00 0.00 54.79 56.11 1u96 n ASP 18 Cb 0.07 -4.48 -0.04 0.00 -0.72 0.00 0.00 41.12 35.95 1u96 n ASP 18 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1u96 n LYS 19 N -4.26 -4.21 0.00 -0.67 5.02 -1.26 -5.00 118.16 107.77 1u96 n LYS 19 Ca -0.01 3.21 0.00 0.00 -2.02 0.00 0.00 58.31 59.49 1u96 n LYS 19 Cb 0.66 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.99 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 1.55 0.00 -2.89 1.97 -0.04 -1.26 -4.84 135.00 129.49 1u96 n PRO 20 Ca -0.38 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 62.96 1u96 n PRO 20 Cb 0.58 -0.60 0.02 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.48 1.06 -0.29 0.54 2.85 -1.26 -5.08 118.16 115.50 1u96 n LYS 21 Ca 0.00 -2.97 -0.05 0.00 -1.05 0.00 0.00 58.31 54.24 1u96 n LYS 21 Cb 0.00 -1.28 -0.04 0.00 -0.65 0.00 0.00 35.03 33.06 1u96 n LYS 21 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1u96 n PRO 22 N 0.08 0.00 0.00 -1.58 -0.01 -1.26 -4.87 135.00 127.36 1u96 n PRO 22 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.63 1u96 n PRO 22 Cb 0.74 -0.21 0.00 0.00 -0.01 0.00 0.00 33.50 34.02 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1u96 h VAL 25 N 0.00 0.00 -3.38 0.00 3.04 -1.98 -3.39 116.25 110.54 1u96 h VAL 25 Ca 0.00 -0.24 -0.59 0.00 -1.01 0.00 0.00 66.70 64.85 1u96 h VAL 25 Cb 0.99 1.17 -0.37 0.00 -2.01 0.00 0.00 31.29 31.06 1u96 h VAL 25 CO 0.00 0.00 -0.80 0.00 -1.01 0.00 0.00 177.57 175.76 1u96 n LYS 27 N 4.76 0.00 0.30 0.00 3.00 -1.26 -4.63 118.16 120.33 1u96 n LYS 27 Ca -0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.01 1u96 n LYS 27 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.41 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1u96 h PRO 28 N 0.00 -0.70 -0.40 1.64 0.13 -1.92 -2.31 132.00 128.43 1u96 h PRO 28 Ca 0.00 0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.26 1u96 h PRO 28 Cb 0.00 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 1u96 h PRO 28 CO 0.00 -0.45 0.28 1.05 -0.23 0.00 0.00 178.00 178.65 1u96 h GLU 29 N -0.76 0.18 -0.43 0.86 9.09 -1.96 -0.79 114.58 120.77 1u96 h GLU 29 Ca -0.07 -0.01 -0.04 0.00 0.05 0.00 0.00 59.36 59.29 1u96 h GLU 29 Cb 0.57 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.62 1u96 h GLU 29 CO 0.12 0.12 0.12 -0.22 0.05 0.00 0.00 179.01 179.20 1u96 h LYS 30 N 0.19 0.68 -0.29 1.06 3.64 -1.85 -1.11 116.57 118.89 1u96 h LYS 30 Ca 0.19 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1u96 h LYS 30 Cb 0.50 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1u96 h LYS 30 CO -0.03 0.68 -0.18 1.49 -2.27 0.00 0.00 179.45 179.14 1u96 h GLU 31 N 0.56 0.51 -0.40 1.90 4.57 -0.63 -1.82 114.58 119.26 1u96 h GLU 31 Ca 0.14 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 1u96 h GLU 31 Cb 0.29 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1u96 h GLU 31 CO -0.00 0.68 -0.17 0.93 -1.18 0.00 0.00 179.01 179.27 1u96 h GLU 32 N 0.47 0.75 -0.19 1.92 5.08 -0.95 -1.60 114.58 120.05 1u96 h GLU 32 Ca 0.08 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1u96 h GLU 32 Cb 0.58 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1u96 h GLU 32 CO 0.04 0.87 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.70 1u96 h ARG 33 N 0.67 0.42 -0.53 2.33 2.43 -0.86 -1.47 114.38 117.37 1u96 h ARG 33 Ca 0.10 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1u96 h ARG 33 Cb 0.66 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 1u96 h ARG 33 CO 0.05 0.74 0.30 0.22 -1.51 0.00 0.00 179.97 179.77 1u96 h ASP 34 N 0.10 0.66 -0.71 -3.80 3.58 -1.27 -1.61 116.42 113.36 1u96 h ASP 34 Ca 0.04 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 1u96 h ASP 34 Cb 0.64 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1u96 h ASP 34 CO 0.04 0.55 0.23 0.74 -2.88 0.00 0.00 179.24 177.92 1u96 h THR 35 N 0.71 1.26 -0.57 2.25 2.02 -1.28 0.03 112.91 117.33 1u96 h THR 35 Ca 0.19 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1u96 h THR 35 Cb 0.03 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1u96 h THR 35 CO -0.03 0.34 0.32 0.00 0.37 0.00 0.00 175.52 176.53 1u96 h ILE 37 N 0.76 0.67 0.11 0.00 2.04 -1.09 -1.51 117.51 118.49 1u96 h ILE 37 Ca 0.20 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 1u96 h ILE 37 Cb 0.02 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1u96 h ILE 37 CO -0.03 0.31 -0.05 0.25 0.00 0.00 0.00 178.15 178.62 1u96 h LEU 38 N 0.00 -0.13 -0.06 1.44 7.12 -0.39 -0.06 115.31 123.23 1u96 h LEU 38 Ca -0.00 -0.41 -0.18 0.00 0.13 0.00 0.00 57.88 57.41 1u96 h LEU 38 Cb 0.96 0.03 0.01 0.00 -0.53 0.00 0.00 40.66 41.14 1u96 h LEU 38 CO 0.04 0.39 -0.68 -0.26 -0.13 0.00 0.00 178.44 177.81 1u96 h PHE 39 N -0.70 0.79 0.15 1.25 -1.00 -1.39 -3.38 116.94 112.68 1u96 h PHE 39 Ca -0.02 -0.39 -0.01 0.00 2.81 0.00 0.00 57.97 60.37 1u96 h PHE 39 Cb 0.53 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1u96 h PHE 39 CO 0.09 1.20 -0.07 -0.91 -1.61 0.00 0.00 178.31 177.01 1u96 h ASN 40 N 0.16 -0.17 0.00 2.17 2.35 -1.40 -3.49 115.58 115.20 1u96 h ASN 40 Ca -0.07 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1u96 h ASN 40 Cb 1.34 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1u96 h ASN 40 CO 0.14 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.61 1u96 n GLY 41 N 1.02 1.89 4.32 2.83 0.00 -0.04 -4.59 105.19 110.63 1u96 n GLY 41 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1u96 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u96 n GLN 42 N -0.22 0.00 -0.04 1.61 10.64 -1.23 -4.72 117.38 123.42 1u96 n GLN 42 Ca 0.00 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.23 1u96 n GLN 42 Cb 0.00 -3.48 0.28 0.00 -0.86 0.00 0.00 30.24 26.19 1u96 n GLN 42 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1u96 n ASP 43 N 0.00 0.58 -4.17 2.61 5.75 -1.26 -3.31 116.55 116.74 1u96 n ASP 43 Ca 0.00 -1.74 -0.39 0.00 -0.01 0.00 0.00 54.79 52.65 1u96 n ASP 43 Cb 0.00 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 39.94 1u96 n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1u96 s SER 44 N -1.30 5.50 -1.58 -1.12 0.15 -1.26 -4.59 113.70 109.49 1u96 s SER 44 Ca 0.19 -1.94 0.00 0.00 0.70 0.00 0.00 55.95 54.90 1u96 s SER 44 Cb 0.09 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1u96 s SER 44 CO 0.15 -0.62 0.00 1.21 1.20 0.00 0.00 173.24 175.18 1u96 n GLU 45 N 4.77 -1.56 -0.88 5.44 4.07 -1.26 -1.42 120.64 129.80 1u96 n GLU 45 Ca -0.06 0.99 0.00 0.00 -0.06 0.00 0.00 57.16 58.03 1u96 n GLU 45 Cb 0.41 -5.35 0.00 0.00 -0.06 0.00 0.00 31.44 26.44 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1u96 n LYS 46 N -1.54 -1.32 -1.87 5.31 4.76 -1.21 -2.60 118.16 119.70 1u96 n LYS 46 Ca -0.15 0.33 -0.15 0.00 -2.87 0.00 0.00 58.31 55.47 1u96 n LYS 46 Cb 0.60 -4.67 -0.04 0.00 -1.84 0.00 0.00 35.03 29.07 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 3.64 -1.79 -3.10 116.57 115.06 1u96 h LYS 48 Ca -0.33 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1u96 h LYS 48 Cb 1.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1u96 h LYS 48 CO 0.44 0.00 0.17 1.49 -2.27 0.00 0.00 179.45 179.27 1u96 h GLU 49 N 0.00 0.33 -0.14 1.90 4.57 -1.87 -1.05 114.58 118.32 1u96 h GLU 49 Ca 0.00 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1u96 h GLU 49 Cb 0.49 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1u96 h GLU 49 CO 0.00 0.22 -0.35 0.74 -1.18 0.00 0.00 179.01 178.44 1u96 h PHE 50 N 0.34 0.33 -0.39 0.92 -1.00 -1.94 -1.78 116.94 113.41 1u96 h PHE 50 Ca 0.10 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 1u96 h PHE 50 Cb -0.02 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 1u96 h PHE 50 CO -0.07 0.60 0.08 0.82 -1.61 0.00 0.00 178.31 178.14 1u96 h ILE 51 N 0.25 1.23 -0.07 -0.55 2.04 -1.47 -0.98 117.51 117.95 1u96 h ILE 51 Ca 0.03 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1u96 h ILE 51 Cb 0.73 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1u96 h ILE 51 CO 0.06 0.28 -0.05 -0.33 0.00 0.00 0.00 178.15 178.10 1u96 h GLU 52 N 0.50 0.17 -0.81 2.37 4.39 -1.08 -1.28 114.58 118.83 1u96 h GLU 52 Ca 0.12 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.81 1u96 h GLU 52 Cb 0.33 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.93 1u96 h GLU 52 CO 0.00 0.57 0.53 0.87 -1.16 0.00 0.00 179.01 179.82 1u96 h LYS 53 N -0.24 0.86 0.42 2.33 1.79 -1.32 0.21 116.57 120.62 1u96 h LYS 53 Ca 0.01 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1u96 h LYS 53 Cb 0.53 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1u96 h LYS 53 CO 0.01 0.57 -0.20 -0.92 -1.08 0.00 0.00 179.45 177.83 1u96 h TYR 54 N 0.88 -0.52 -0.17 -1.35 3.20 -1.10 -0.64 116.97 117.27 1u96 h TYR 54 Ca 0.35 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.26 1u96 h TYR 54 Cb 0.23 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1u96 h TYR 54 CO -0.00 -0.20 0.15 1.57 -1.64 0.00 0.00 178.16 178.04 1u96 h LYS 55 N -0.94 0.00 0.09 1.82 2.10 -0.91 0.45 116.57 119.18 1u96 h LYS 55 Ca -0.06 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.34 1u96 h LYS 55 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1u96 h LYS 55 CO 0.09 0.00 -1.15 1.49 -2.00 0.00 0.00 179.45 177.88 1u96 h GLU 56 N 0.00 0.29 0.00 0.07 4.81 -0.48 -1.67 114.58 117.60 1u96 h GLU 56 Ca 0.08 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1u96 h GLU 56 Cb 0.38 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1u96 h GLU 56 CO -0.00 1.17 -0.32 0.00 -0.73 0.00 0.00 179.01 179.13 1u96 n MET 58 N -2.12 0.63 0.30 0.00 2.81 0.01 -4.13 117.12 114.62 1u96 n MET 58 Ca 0.05 0.13 0.19 0.00 -1.81 0.00 0.00 57.70 56.26 1u96 n MET 58 Cb 0.43 -1.49 0.85 0.00 -0.71 0.00 0.00 33.22 32.29 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 0.00 0.00 -4.13 0.03 -0.00 -1.45 -1.80 116.57 109.21 1u96 h LYS 59 Ca -0.55 0.00 -0.73 0.00 -0.00 0.00 0.00 60.65 59.37 1u96 h LYS 59 Cb 1.88 0.00 -0.29 0.00 -0.00 0.00 0.00 32.23 33.82 1u96 h LYS 59 CO -0.08 0.00 -0.31 0.20 -0.00 0.00 0.00 179.45 179.27 1u96 s GLY 60 N -4.17 2.18 -1.35 0.07 0.00 -1.25 -4.58 107.32 98.21 1u96 s GLY 60 Ca -0.01 -2.72 0.00 0.00 0.00 0.00 0.00 44.72 41.99 1u96 s GLY 60 CO 0.51 1.14 0.00 -1.72 0.00 0.00 0.00 173.10 173.02 1u96 n TYR 61 N 4.67 -0.17 0.00 1.90 4.01 -1.26 -4.88 117.16 121.44 1u96 n TYR 61 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1u96 n TYR 61 Cb 0.41 -2.66 0.00 0.00 -0.31 0.00 0.00 39.34 36.78 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u96 n GLY 62 N -0.06 1.61 0.00 2.72 0.00 -0.75 -5.04 105.19 103.67 1u96 n GLY 62 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1u96 n GLY 62 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u96 n PHE 63 N 0.00 0.00 -3.64 1.61 7.35 -0.76 -5.02 117.46 116.99 1u96 n PHE 63 Ca 0.00 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.62 1u96 n PHE 63 Cb 0.00 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.76 1u96 n PHE 63 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1u96 s GLU 64 N 0.09 0.35 -0.03 -4.13 -1.05 -1.26 -4.99 118.70 107.68 1u96 s GLU 64 Ca 0.00 0.43 -0.01 0.00 -0.15 0.00 0.00 54.97 55.24 1u96 s GLU 64 Cb 0.00 0.17 0.03 0.00 -0.44 0.00 0.00 34.13 33.89 1u96 s GLU 64 CO 0.00 -0.04 0.05 0.08 0.95 0.00 0.00 175.26 176.30 1u96 s VAL 65 N 0.20 -0.08 0.02 1.83 1.01 -1.26 -4.64 120.40 117.48 1u96 s VAL 65 Ca 0.04 0.28 -0.27 0.00 0.00 0.00 0.00 61.98 62.03 1u96 s VAL 65 Cb -0.05 -0.12 -0.15 0.00 0.00 0.00 0.00 36.38 36.06 1u96 s VAL 65 CO -0.10 0.12 1.16 -0.65 0.00 0.00 0.00 175.10 175.63 1u96 h PRO 66 N 7.66 -0.88 0.00 2.72 0.11 -1.94 -3.49 132.00 136.17 1u96 h PRO 66 Ca -0.35 0.06 0.32 0.00 0.11 0.00 0.00 66.00 66.14 1u96 h PRO 66 Cb 1.12 0.20 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 1u96 h PRO 66 CO 0.37 -0.57 -0.42 0.43 -0.21 0.00 0.00 178.00 177.60 1u96 n SER 67 N -5.40 -8.08 -0.00 -2.05 7.64 -1.26 -4.70 113.62 99.77 1u96 n SER 67 Ca -0.12 1.26 0.02 0.00 1.01 0.00 0.00 58.87 61.04 1u96 n SER 67 Cb 0.37 -3.55 -0.03 0.00 -1.01 0.00 0.00 64.21 60.00 1u96 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u96 n ALA 68 N -1.85 2.40 -0.44 -0.43 0.00 -1.26 -4.93 120.51 113.99 1u96 n ALA 68 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1u96 n ALA 68 Cb 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1u96 n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59