#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y96 s SER 2 N 0.00 5.35 0.27 3.17 1.04 -1.26 -4.99 113.70 117.28 1y96 s SER 2 Ca 0.00 1.22 -0.01 0.00 0.48 0.00 0.00 55.95 57.63 1y96 s SER 2 Cb 0.00 -2.03 0.38 0.00 0.10 0.00 0.00 66.02 64.47 1y96 s SER 2 CO 0.00 -1.41 1.79 -0.33 0.98 0.00 0.00 173.24 174.27 1y96 h GLU 3 N -0.70 0.78 -1.00 4.02 4.39 -1.88 -2.70 114.58 117.49 1y96 h GLU 3 Ca -0.45 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.11 1y96 h GLU 3 Cb 1.25 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.74 1y96 h GLU 3 CO 0.62 0.76 0.66 2.35 -1.16 0.00 0.00 179.01 182.24 1y96 h TRP 4 N 0.74 1.23 0.00 4.33 2.91 -1.86 -2.29 115.95 121.01 1y96 h TRP 4 Ca 0.15 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.19 1y96 h TRP 4 Cb 0.39 -0.41 -0.00 0.00 -0.51 0.00 0.00 29.16 28.63 1y96 h TRP 4 CO 0.02 0.69 -0.04 0.52 -1.03 0.00 0.00 178.44 178.60 1y96 h MET 5 N 1.25 0.00 -0.00 2.65 2.86 -1.75 -2.80 114.93 117.14 1y96 h MET 5 Ca 0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1y96 h MET 5 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1y96 h MET 5 CO -0.14 0.04 -0.28 1.63 1.06 0.00 0.00 176.91 179.22 1y96 n LYS 6 N -3.48 0.31 -0.20 1.72 5.02 -0.86 -4.31 118.16 116.36 1y96 n LYS 6 Ca -0.02 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.03 1y96 n LYS 6 Cb 0.15 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1y96 n LYS 6 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1y96 h LYS 7 N 0.35 1.06 -0.22 1.97 1.57 -1.56 -3.50 116.57 116.25 1y96 h LYS 7 Ca 0.00 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1y96 h LYS 7 Cb 0.47 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1y96 h LYS 7 CO 0.00 1.06 -0.07 0.41 -0.57 0.00 0.00 179.45 180.28 1y96 n GLY 8 N -0.35 -2.27 0.31 3.86 0.00 -1.26 -4.32 105.19 101.16 1y96 n GLY 8 Ca 0.02 -1.45 0.04 0.00 0.00 0.00 0.00 46.02 44.63 1y96 n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y96 h PRO 9 N -0.09 0.58 -0.31 1.61 0.11 -1.95 -1.33 132.00 130.61 1y96 h PRO 9 Ca -0.01 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 1y96 h PRO 9 Cb 0.09 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1y96 h PRO 9 CO 0.00 0.38 -0.25 -0.07 -0.21 0.00 0.00 178.00 177.85 1y96 h LEU 10 N 0.59 0.63 0.01 2.35 3.38 -2.00 -1.40 115.31 118.87 1y96 h LEU 10 Ca 0.16 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1y96 h LEU 10 Cb -0.06 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1y96 h LEU 10 CO -0.04 0.86 -0.25 -0.33 0.09 0.00 0.00 178.44 178.78 1y96 h GLU 11 N 0.54 0.15 -0.84 1.13 5.08 -1.63 -3.32 114.58 115.69 1y96 h GLU 11 Ca 0.07 -0.18 0.18 0.00 -1.00 0.00 0.00 59.36 58.44 1y96 h GLU 11 Cb 0.72 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.91 1y96 h GLU 11 CO 0.06 0.94 0.36 -1.49 -1.00 0.00 0.00 179.01 177.88 1y96 h TRP 12 N -0.56 0.62 -0.17 4.33 6.55 -1.24 -2.35 115.95 123.12 1y96 h TRP 12 Ca -0.03 0.04 0.04 0.00 0.95 0.00 0.00 58.89 59.88 1y96 h TRP 12 Cb 1.04 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 29.18 1y96 h TRP 12 CO 0.19 0.04 0.12 0.37 -1.05 0.00 0.00 178.44 178.11 1y96 h GLN 13 N 0.46 0.06 0.00 0.49 4.15 -1.36 -1.74 115.11 117.17 1y96 h GLN 13 Ca 0.49 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.90 1y96 h GLN 13 Cb 0.82 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1y96 h GLN 13 CO -0.45 0.04 0.00 -0.25 -1.93 0.00 0.00 178.83 176.24 1y96 n ASP 14 N -4.50 0.46 0.03 -0.69 10.43 -0.88 -2.80 116.55 118.60 1y96 n ASP 14 Ca 0.01 0.58 0.13 0.00 2.57 0.00 0.00 54.79 58.07 1y96 n ASP 14 Cb 0.21 -0.69 0.37 0.00 1.84 0.00 0.00 41.12 42.85 1y96 n ASP 14 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1y96 n TYR 15 N -1.97 0.26 -1.91 1.24 4.02 -0.65 -4.89 117.16 113.26 1y96 n TYR 15 Ca 0.04 0.07 -0.41 0.00 -0.01 0.00 0.00 57.90 57.59 1y96 n TYR 15 Cb 0.30 -0.52 -0.02 0.00 -0.02 0.00 0.00 39.34 39.08 1y96 n TYR 15 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1y96 s ILE 16 N -3.05 2.39 -0.11 -0.72 1.01 -1.12 -1.90 121.20 117.70 1y96 s ILE 16 Ca 0.11 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1y96 s ILE 16 Cb 0.16 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1y96 s ILE 16 CO 0.64 0.05 0.00 -1.22 0.00 0.00 0.00 174.94 174.41 1y96 n TYR 17 N 2.28 0.00 -3.93 3.97 0.53 0.34 -4.97 117.16 115.38 1y96 n TYR 17 Ca 0.07 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.71 1y96 n TYR 17 Cb 0.39 -1.17 -0.03 0.00 -1.03 0.00 0.00 39.34 37.51 1y96 n TYR 17 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 1y96 s LYS 18 N -1.24 3.45 -0.07 -0.72 1.02 -0.80 -4.45 119.74 116.92 1y96 s LYS 18 Ca 0.00 -0.64 -0.12 0.00 0.02 0.00 0.00 55.97 55.23 1y96 s LYS 18 Cb 0.00 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 1y96 s LYS 18 CO 0.00 0.47 0.29 -2.00 -0.92 0.00 0.00 175.35 173.19 1y96 s GLU 19 N -3.57 3.82 -0.01 1.68 2.12 -0.29 -0.95 118.70 121.50 1y96 s GLU 19 Ca 0.35 0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.81 1y96 s GLU 19 Cb -0.10 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 31.04 1y96 s GLU 19 CO 0.29 0.63 0.06 0.08 -0.54 0.00 0.00 175.26 175.78 1y96 s VAL 20 N -0.75 0.04 -0.19 3.70 1.01 -0.20 -0.11 120.40 123.89 1y96 s VAL 20 Ca 0.19 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 1y96 s VAL 20 Cb -0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1y96 s VAL 20 CO 0.08 -0.20 0.10 -0.60 0.00 0.00 0.00 175.10 174.48 1y96 s ARG 21 N -0.61 4.06 -0.12 2.72 3.52 0.13 -1.72 118.95 126.93 1y96 s ARG 21 Ca -0.07 -0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.27 1y96 s ARG 21 Cb -0.04 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1y96 s ARG 21 CO 0.00 0.26 -0.22 0.08 -0.81 0.00 0.00 175.30 174.61 1y96 s VAL 22 N 0.44 1.99 -0.11 7.11 1.01 -0.03 -1.16 120.40 129.65 1y96 s VAL 22 Ca 0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 1y96 s VAL 22 Cb -0.12 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1y96 s VAL 22 CO -0.00 0.54 0.10 -0.89 0.00 0.00 0.00 175.10 174.84 1y96 s THR 23 N 0.61 5.12 0.29 3.92 2.01 -0.43 -0.74 115.64 126.42 1y96 s THR 23 Ca -0.13 0.06 0.04 0.00 0.31 0.00 0.00 61.69 61.97 1y96 s THR 23 Cb -0.17 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1y96 s THR 23 CO 0.03 0.60 0.19 0.00 -0.69 0.00 0.00 174.62 174.75 1y96 s ALA 24 N -0.89 1.79 0.43 7.40 0.00 0.12 -0.53 121.76 130.09 1y96 s ALA 24 Ca 0.14 -1.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.04 1y96 s ALA 24 Cb -0.12 1.29 -0.11 0.00 0.00 0.00 0.00 23.12 24.19 1y96 s ALA 24 CO 0.03 -0.57 0.82 0.43 0.00 0.00 0.00 175.76 176.47 1y96 n SER 25 N -0.99 0.36 -3.57 0.00 7.64 -0.24 -2.99 113.62 113.83 1y96 n SER 25 Ca 0.03 0.97 -0.22 0.00 1.01 0.00 0.00 58.87 60.66 1y96 n SER 25 Cb 0.64 -1.26 0.08 0.00 -1.01 0.00 0.00 64.21 62.66 1y96 n SER 25 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1y96 n GLU 26 N 0.23 -7.21 -1.61 1.43 1.02 -1.26 -3.02 120.64 110.22 1y96 n GLU 26 Ca 0.11 0.81 -0.20 0.00 -0.02 0.00 0.00 57.16 57.86 1y96 n GLU 26 Cb 0.40 -5.82 -0.08 0.00 -0.02 0.00 0.00 31.44 25.92 1y96 n GLU 26 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1y96 n LYS 27 N -4.66 -1.37 -2.68 3.49 5.02 -1.19 -4.97 118.16 111.80 1y96 n LYS 27 Ca -0.10 1.18 -0.40 0.00 -2.02 0.00 0.00 58.31 56.97 1y96 n LYS 27 Cb 0.60 -5.52 -0.06 0.00 -0.02 0.00 0.00 35.03 30.04 1y96 n LYS 27 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1y96 s ASN 28 N -2.76 7.51 -0.00 4.39 0.01 -1.16 -4.92 114.94 118.00 1y96 s ASN 28 Ca 0.00 2.02 0.01 0.00 -0.71 0.00 0.00 52.86 54.19 1y96 s ASN 28 Cb 0.00 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 1y96 s ASN 28 CO 0.00 0.05 -0.05 -0.70 -1.51 0.00 0.00 177.10 174.89 1y96 s GLU 29 N -1.36 0.39 0.05 -0.60 2.12 -1.26 -0.70 118.70 117.34 1y96 s GLU 29 Ca 0.43 -0.20 -0.02 0.00 0.36 0.00 0.00 54.97 55.54 1y96 s GLU 29 Cb -0.27 -0.36 -0.03 0.00 0.26 0.00 0.00 34.13 33.73 1y96 s GLU 29 CO 0.33 0.10 0.01 0.71 -0.54 0.00 0.00 175.26 175.87 1y96 s TYR 30 N -0.18 0.40 -0.14 5.30 1.51 0.08 -5.00 117.35 119.31 1y96 s TYR 30 Ca 0.01 -0.86 -0.08 0.00 -1.01 0.00 0.00 57.07 55.13 1y96 s TYR 30 Cb -0.02 -0.29 0.05 0.00 -0.11 0.00 0.00 41.96 41.59 1y96 s TYR 30 CO -0.00 -0.37 0.34 0.21 -1.11 0.00 0.00 175.55 174.62 1y96 s LYS 31 N -3.35 0.33 0.00 -0.62 2.20 -1.26 -0.85 119.74 116.20 1y96 s LYS 31 Ca 0.02 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1y96 s LYS 31 Cb 0.04 -0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1y96 s LYS 31 CO -0.08 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 1y96 n GLY 32 N 3.97 -1.29 3.66 5.54 0.00 -0.70 -4.88 105.19 111.49 1y96 n GLY 32 Ca -0.22 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 1y96 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1y96 s TRP 33 N -2.11 3.33 -0.20 1.61 0.52 -0.03 -1.03 118.94 121.02 1y96 s TRP 33 Ca 0.00 0.39 -0.29 0.00 0.02 0.00 0.00 56.10 56.22 1y96 s TRP 33 Cb 0.00 -2.39 -0.02 0.00 -1.15 0.00 0.00 33.47 29.91 1y96 s TRP 33 CO 0.00 0.01 1.42 0.08 0.02 0.00 0.00 176.95 178.48 1y96 s VAL 34 N 1.24 3.99 -0.14 4.03 1.01 -0.12 -0.47 120.40 129.94 1y96 s VAL 34 Ca 0.12 1.16 -0.13 0.00 0.00 0.00 0.00 61.98 63.13 1y96 s VAL 34 Cb -0.14 -3.89 -0.25 0.00 0.00 0.00 0.00 36.38 32.10 1y96 s VAL 34 CO 0.06 -0.26 0.38 0.25 0.00 0.00 0.00 175.10 175.53 1y96 h LEU 35 N 10.64 0.30 -7.95 3.92 5.85 -1.29 0.98 115.31 127.75 1y96 h LEU 35 Ca -0.30 -0.81 0.06 0.00 0.84 0.00 0.00 57.88 57.67 1y96 h LEU 35 Cb 1.12 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1y96 h LEU 35 CO 0.99 1.71 0.33 0.28 -0.34 0.00 0.00 178.44 181.41 1y96 s THR 36 N -2.49 0.00 -0.05 1.05 -1.32 -1.23 -4.81 115.64 106.80 1y96 s THR 36 Ca -0.23 -0.91 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 1y96 s THR 36 Cb 0.06 -2.52 0.02 0.00 -1.51 0.00 0.00 72.50 68.55 1y96 s THR 36 CO 0.72 0.00 -0.04 -0.89 -2.21 0.00 0.00 174.62 172.21 1y96 s THR 37 N -2.88 0.50 -0.03 5.08 2.01 -1.26 -1.42 115.64 117.64 1y96 s THR 37 Ca 0.15 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1y96 s THR 37 Cb -0.05 -0.54 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 1y96 s THR 37 CO 0.08 0.22 1.57 -0.62 -0.69 0.00 0.00 174.62 175.19 1y96 s ASP 38 N 1.04 6.71 0.28 3.53 3.68 0.37 -4.90 116.67 127.39 1y96 s ASP 38 Ca -0.09 2.21 0.25 0.00 2.13 0.00 0.00 52.55 57.05 1y96 s ASP 38 Cb -0.14 -2.54 0.96 0.00 -1.45 0.00 0.00 42.92 39.75 1y96 s ASP 38 CO -0.01 -0.86 1.75 1.55 0.13 0.00 0.00 175.17 177.73 1y96 h PRO 39 N 8.88 0.00 0.08 4.34 0.13 -1.95 0.25 132.00 143.73 1y96 h PRO 39 Ca -0.39 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.57 1y96 h PRO 39 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.32 1y96 h PRO 39 CO 0.94 0.00 -0.74 0.28 -0.23 0.00 0.00 178.00 178.25 1y96 h VAL 40 N 0.00 1.47 0.00 1.56 2.07 -1.99 -3.40 116.25 115.96 1y96 h VAL 40 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1y96 h VAL 40 Cb 0.48 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1y96 h VAL 40 CO 0.00 0.67 -0.96 -1.54 0.02 0.00 0.00 177.57 175.77 1y96 n SER 41 N -4.15 1.66 -1.41 0.57 3.41 -1.21 -5.00 113.62 107.49 1y96 n SER 41 Ca -0.12 -0.35 -0.18 0.00 -0.26 0.00 0.00 58.87 57.96 1y96 n SER 41 Cb 0.77 1.23 -0.08 0.00 -0.26 0.00 0.00 64.21 65.87 1y96 n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y96 n ALA 42 N -1.54 -0.28 -1.80 7.33 0.00 0.88 -3.70 120.51 121.40 1y96 n ALA 42 Ca -0.00 0.29 -0.42 0.00 0.00 0.00 0.00 53.44 53.31 1y96 n ALA 42 Cb 0.20 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 1y96 n ALA 42 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1y96 s ASN 43 N -2.80 6.45 -0.17 0.00 0.01 -1.25 -3.75 114.94 113.43 1y96 s ASN 43 Ca 0.00 2.82 -0.11 0.00 -0.71 0.00 0.00 52.86 54.85 1y96 s ASN 43 Cb 0.00 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 1y96 s ASN 43 CO 0.00 -0.90 0.20 -0.63 -1.51 0.00 0.00 177.10 174.26 1y96 s ILE 44 N 0.73 5.37 -0.27 0.60 1.01 -0.16 -0.48 121.20 128.01 1y96 s ILE 44 Ca 0.69 0.34 -0.08 0.00 0.00 0.00 0.00 60.65 61.60 1y96 s ILE 44 Cb -0.47 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1y96 s ILE 44 CO 0.37 0.44 0.10 -0.69 0.00 0.00 0.00 174.94 175.17 1y96 s VAL 45 N 0.24 4.46 -0.01 2.92 1.01 -0.51 -0.91 120.40 127.60 1y96 s VAL 45 Ca 0.12 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1y96 s VAL 45 Cb -0.12 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1y96 s VAL 45 CO 0.01 0.24 -0.07 -0.76 0.00 0.00 0.00 175.10 174.52 1y96 s LEU 46 N 1.62 3.17 -0.13 3.92 1.43 0.51 -0.76 118.68 128.44 1y96 s LEU 46 Ca 0.06 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1y96 s LEU 46 Cb -0.16 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1y96 s LEU 46 CO 0.05 0.30 -0.04 -0.69 0.23 0.00 0.00 176.35 176.20 1y96 s VAL 47 N -0.96 3.88 -0.09 -1.59 1.01 0.38 -0.71 120.40 122.32 1y96 s VAL 47 Ca 0.16 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1y96 s VAL 47 Cb -0.11 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1y96 s VAL 47 CO 0.06 0.53 -0.24 0.20 0.00 0.00 0.00 175.10 175.65 1y96 s ASN 48 N -0.01 3.10 -0.48 3.32 -0.87 -0.22 -0.86 114.94 118.93 1y96 s ASN 48 Ca 0.01 -0.55 -0.16 0.00 -1.57 0.00 0.00 52.86 50.59 1y96 s ASN 48 Cb -0.13 -1.30 0.07 0.00 -0.02 0.00 0.00 41.25 39.87 1y96 s ASN 48 CO 0.03 0.18 0.43 -0.36 -2.57 0.00 0.00 177.10 174.81 1y96 s PHE 49 N 0.24 3.21 0.58 2.20 0.40 -1.26 -1.55 117.98 121.81 1y96 s PHE 49 Ca -0.16 -0.87 -0.05 0.00 -0.60 0.00 0.00 56.93 55.25 1y96 s PHE 49 Cb -0.17 -3.23 0.01 0.00 0.51 0.00 0.00 43.02 40.14 1y96 s PHE 49 CO 0.08 -0.84 0.88 -0.51 0.70 0.00 0.00 175.22 175.54 1y96 s LEU 50 N 1.79 3.25 0.64 -0.37 1.43 -0.42 -4.96 118.68 120.04 1y96 s LEU 50 Ca 0.06 0.66 0.37 0.00 -1.03 0.00 0.00 54.13 54.19 1y96 s LEU 50 Cb -0.24 -3.48 2.07 0.00 0.03 0.00 0.00 46.19 44.57 1y96 s LEU 50 CO 0.07 -1.05 2.23 -0.33 0.23 0.00 0.00 176.35 177.50 1y96 h GLU 51 N -0.14 0.00 -0.67 1.70 5.08 -1.98 -1.16 114.58 117.41 1y96 h GLU 51 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1y96 h GLU 51 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1y96 h GLU 51 CO 0.60 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.21 1y96 n ASP 52 N -3.28 4.14 0.00 1.42 3.85 -1.26 -4.94 116.55 116.47 1y96 n ASP 52 Ca -0.02 -2.16 0.00 0.00 -0.71 0.00 0.00 54.79 51.90 1y96 n ASP 52 Cb 0.17 -0.50 0.00 0.00 -1.35 0.00 0.00 41.12 39.44 1y96 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y96 n GLY 53 N 1.36 1.25 3.93 6.12 0.00 -0.44 -5.04 105.19 112.37 1y96 n GLY 53 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 1y96 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y96 s SER 54 N -3.14 5.09 -0.07 1.61 1.04 -1.26 -4.83 113.70 112.13 1y96 s SER 54 Ca 0.00 0.53 0.04 0.00 0.48 0.00 0.00 55.95 56.99 1y96 s SER 54 Cb 0.00 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1y96 s SER 54 CO 0.00 -1.41 -0.19 -0.32 0.98 0.00 0.00 173.24 172.31 1y96 s MET 55 N -5.15 2.33 0.25 4.02 1.75 -1.26 -1.30 119.30 119.94 1y96 s MET 55 Ca 0.58 -0.68 0.10 0.00 -1.25 0.00 0.00 55.69 54.44 1y96 s MET 55 Cb -0.11 -1.85 -0.04 0.00 2.84 0.00 0.00 34.83 35.67 1y96 s MET 55 CO 0.45 0.16 -0.06 -1.54 -0.65 0.00 0.00 175.02 173.37 1y96 s SER 56 N 0.35 4.30 -0.08 1.11 1.04 -0.59 -4.98 113.70 114.85 1y96 s SER 56 Ca -0.14 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.61 1y96 s SER 56 Cb -0.16 -0.71 0.01 0.00 0.10 0.00 0.00 66.02 65.26 1y96 s SER 56 CO 0.06 0.03 -0.12 -0.69 0.98 0.00 0.00 173.24 173.49 1y96 s VAL 57 N -2.24 1.18 -0.11 5.02 1.01 -1.26 -1.06 120.40 122.94 1y96 s VAL 57 Ca 0.30 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1y96 s VAL 57 Cb -0.07 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.24 1y96 s VAL 57 CO 0.18 0.37 -0.13 -0.89 0.00 0.00 0.00 175.10 174.63 1y96 s THR 58 N 0.80 1.35 -0.07 3.92 2.01 0.11 -4.98 115.64 118.78 1y96 s THR 58 Ca -0.12 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 61.21 1y96 s THR 58 Cb -0.15 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1y96 s THR 58 CO 0.02 0.42 0.36 -0.83 -0.69 0.00 0.00 174.62 173.90 1y96 s GLY 59 N 1.22 2.36 -0.16 4.40 0.00 -1.26 -0.36 107.32 113.53 1y96 s GLY 59 Ca -0.03 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.39 1y96 s GLY 59 CO -0.04 0.25 -0.19 -0.42 0.00 0.00 0.00 173.10 172.70 1y96 s ILE 60 N -0.43 2.25 0.22 0.90 1.01 -0.09 -4.96 121.20 120.10 1y96 s ILE 60 Ca 0.21 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 1y96 s ILE 60 Cb -0.15 -1.93 -0.10 0.00 0.01 0.00 0.00 42.46 40.30 1y96 s ILE 60 CO 0.09 0.53 1.41 -0.04 0.00 0.00 0.00 174.94 176.94 1y96 s MET 61 N 0.95 4.30 0.27 2.79 -1.94 -1.26 -0.98 119.30 123.42 1y96 s MET 61 Ca -0.03 2.22 -0.00 0.00 -1.71 0.00 0.00 55.69 56.17 1y96 s MET 61 Cb -0.15 -3.15 0.59 0.00 2.01 0.00 0.00 34.83 34.14 1y96 s MET 61 CO -0.04 -0.39 1.72 0.78 -0.01 0.00 0.00 175.02 177.07 1y96 h GLY 62 N 5.43 1.35 2.00 -0.03 0.00 -1.65 -0.53 103.07 109.64 1y96 h GLY 62 Ca -0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1y96 h GLY 62 CO 0.80 -0.17 -0.12 1.12 0.00 0.00 0.00 176.54 178.16 1y96 h HIS 63 N 0.44 0.00 0.00 5.60 2.07 -1.90 -2.68 115.15 118.68 1y96 h HIS 63 Ca 0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.01 1y96 h HIS 63 Cb 0.84 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.82 1y96 h HIS 63 CO -0.15 0.12 -0.73 0.00 -3.07 0.00 0.00 177.93 174.10 1y96 h ALA 64 N 1.88 0.54 -2.41 6.11 0.00 -1.48 -3.42 119.26 120.48 1y96 h ALA 64 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1y96 h ALA 64 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1y96 h ALA 64 CO 0.02 0.00 0.95 0.08 0.00 0.00 0.00 179.25 180.30 1y96 s VAL 65 N -3.21 3.30 -0.23 0.00 1.01 -1.01 -1.07 120.40 119.19 1y96 s VAL 65 Ca 0.05 0.70 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 1y96 s VAL 65 Cb 0.13 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1y96 s VAL 65 CO 0.74 -0.01 -0.35 0.00 0.00 0.00 0.00 175.10 175.48 1y96 n GLN 66 N 5.64 0.56 -4.05 2.72 6.02 0.31 -4.69 117.38 123.88 1y96 n GLN 66 Ca 0.15 0.23 -0.10 0.00 -0.01 0.00 0.00 57.00 57.27 1y96 n GLN 66 Cb 0.42 -1.46 -0.11 0.00 1.02 0.00 0.00 30.24 30.11 1y96 n GLN 66 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1y96 s THR 67 N -2.72 0.34 -0.09 5.09 -4.23 -1.03 -4.78 115.64 108.23 1y96 s THR 67 Ca -0.34 -1.29 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1y96 s THR 67 Cb 0.09 -0.82 0.04 0.00 1.34 0.00 0.00 72.50 73.14 1y96 s THR 67 CO 0.46 -0.62 0.02 -0.69 -0.54 0.00 0.00 174.62 173.24 1y96 s VAL 68 N -2.25 0.33 -0.06 2.29 1.01 -1.26 -1.31 120.40 119.16 1y96 s VAL 68 Ca -0.06 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1y96 s VAL 68 Cb -0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1y96 s VAL 68 CO -0.03 0.15 -0.23 -1.61 0.00 0.00 0.00 175.10 173.38 1y96 s GLU 69 N 1.98 2.57 -0.08 2.72 2.02 -0.30 -4.98 118.70 122.63 1y96 s GLU 69 Ca 0.04 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.86 1y96 s GLU 69 Cb -0.13 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 1y96 s GLU 69 CO -0.06 0.41 1.11 0.99 0.02 0.00 0.00 175.26 177.74 1y96 s THR 70 N -0.23 4.49 -0.19 3.63 2.01 -1.26 -0.69 115.64 123.39 1y96 s THR 70 Ca -0.01 1.79 0.17 0.00 0.31 0.00 0.00 61.69 63.95 1y96 s THR 70 Cb -0.13 -4.15 -0.25 0.00 0.01 0.00 0.00 72.50 67.98 1y96 s THR 70 CO 0.03 0.00 0.09 0.23 -0.69 0.00 0.00 174.62 174.28 1y96 n MET 71 N 5.11 0.69 -3.65 4.92 0.00 0.84 -4.94 117.12 120.08 1y96 n MET 71 Ca 0.10 0.01 -0.08 0.00 0.00 0.00 0.00 57.70 57.73 1y96 n MET 71 Cb 0.47 -1.53 -0.08 0.00 0.00 0.00 0.00 33.22 32.08 1y96 n MET 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1y96 s ASN 72 N -5.56 -0.85 0.00 7.83 2.47 -1.11 -5.00 114.94 112.72 1y96 s ASN 72 Ca -0.11 1.38 0.26 0.00 0.42 0.00 0.00 52.86 54.81 1y96 s ASN 72 Cb 0.06 1.28 1.13 0.00 -1.45 0.00 0.00 41.25 42.26 1y96 s ASN 72 CO 0.82 -0.23 1.84 -0.62 -3.72 0.00 0.00 177.10 175.19 1y96 n GLU 73 N 4.35 0.02 0.00 0.43 4.71 -1.26 -1.13 120.64 127.75 1y96 n GLU 73 Ca -0.20 0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.00 1y96 n GLU 73 Cb 0.58 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.51 1y96 n GLU 73 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1y96 n GLY 74 N 1.19 -1.57 2.72 0.62 0.00 -1.26 -4.64 105.19 102.25 1y96 n GLY 74 Ca 0.07 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 1y96 n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y96 n ASP 75 N -2.05 1.03 -0.28 1.61 3.85 -1.26 -5.05 116.55 114.39 1y96 n ASP 75 Ca 0.00 -2.77 -0.06 0.00 -0.71 0.00 0.00 54.79 51.25 1y96 n ASP 75 Cb 0.00 0.88 0.06 0.00 -1.35 0.00 0.00 41.12 40.72 1y96 n ASP 75 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 1y96 h HIS 76 N 1.58 1.18 0.06 2.11 -0.00 -1.99 -2.46 115.15 115.62 1y96 h HIS 76 Ca -0.25 -0.09 0.01 0.00 -0.00 0.00 0.00 60.37 60.04 1y96 h HIS 76 Cb 0.99 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 28.02 1y96 h HIS 76 CO 0.00 0.89 -0.12 0.00 -0.00 0.00 0.00 177.93 178.71 1y96 h ARG 77 N 1.13 -0.22 -0.12 5.26 3.08 -2.01 -2.33 114.38 119.17 1y96 h ARG 77 Ca 0.26 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.32 1y96 h ARG 77 Cb 0.21 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1y96 h ARG 77 CO -0.02 -0.15 0.07 0.28 -1.07 0.00 0.00 179.97 179.08 1y96 h VAL 78 N -0.23 1.08 -0.93 2.04 2.07 -1.97 -2.96 116.25 115.36 1y96 h VAL 78 Ca 0.02 -0.23 0.19 0.00 0.82 0.00 0.00 66.70 67.51 1y96 h VAL 78 Cb 0.25 1.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.93 1y96 h VAL 78 CO -0.08 0.08 0.50 -0.09 0.02 0.00 0.00 177.57 178.00 1y96 h ARG 79 N 0.10 0.60 -0.32 1.57 2.43 -1.29 -1.91 114.38 115.56 1y96 h ARG 79 Ca 0.04 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1y96 h ARG 79 Cb 0.06 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1y96 h ARG 79 CO -0.01 0.40 -0.44 1.49 -1.51 0.00 0.00 179.97 179.90 1y96 h GLU 80 N 0.62 0.84 -0.20 0.20 4.57 -1.25 -0.69 114.58 118.66 1y96 h GLU 80 Ca 0.54 -0.47 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1y96 h GLU 80 Cb 0.89 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.50 1y96 h GLU 80 CO -0.42 1.11 0.11 0.87 -1.18 0.00 0.00 179.01 179.50 1y96 h LYS 81 N 0.67 0.28 -0.59 1.92 1.57 -1.30 -2.98 116.57 116.14 1y96 h LYS 81 Ca 0.04 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1y96 h LYS 81 Cb 1.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 1y96 h LYS 81 CO 0.10 0.27 0.16 -0.07 -0.57 0.00 0.00 179.45 179.34 1y96 h LEU 82 N 0.22 0.85 -1.54 2.94 4.07 -1.29 -3.14 115.31 117.42 1y96 h LEU 82 Ca 0.07 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.83 1y96 h LEU 82 Cb 0.07 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 1y96 h LEU 82 CO -0.01 0.82 -0.23 0.24 -1.08 0.00 0.00 178.44 178.18 1y96 h MET 83 N 0.88 0.00 -0.41 1.13 2.86 -0.98 -2.98 114.93 115.43 1y96 h MET 83 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1y96 h MET 83 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1y96 h MET 83 CO -0.00 0.23 0.00 0.72 1.06 0.00 0.00 176.91 178.92 1y96 n HIS 84 N -3.85 0.53 0.48 -0.22 8.25 -1.15 -4.75 115.22 114.52 1y96 n HIS 84 Ca -0.02 -0.31 -0.20 0.00 -0.26 0.00 0.00 57.72 56.94 1y96 n HIS 84 Cb 0.32 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.33 1y96 n HIS 84 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y96 h LEU 85 N 3.93 -1.03 -0.53 2.41 3.38 -1.56 -3.52 115.31 118.40 1y96 h LEU 85 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1y96 h LEU 85 Cb 0.91 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1y96 h LEU 85 CO 0.00 -0.72 0.00 0.49 0.09 0.00 0.00 178.44 178.30