#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v86 s SER 2 N 0.00 -0.22 0.34 1.61 1.04 -1.26 -5.09 113.70 110.13 1v86 s SER 2 Ca 0.00 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1v86 s SER 2 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1v86 s SER 2 CO 0.00 -0.11 0.00 -1.20 0.98 0.00 0.00 173.24 172.91 1v86 n SER 3 N 1.49 -1.79 0.00 7.02 7.64 -1.26 -5.14 113.62 121.58 1v86 n SER 3 Ca -0.09 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1v86 n SER 3 Cb 0.57 1.81 0.00 0.00 -1.01 0.00 0.00 64.21 65.58 1v86 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v86 n GLY 4 N 0.23 0.85 2.60 0.23 0.00 -1.26 -5.04 105.19 102.80 1v86 n GLY 4 Ca 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.87 1v86 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v86 n SER 5 N 0.00 -3.67 -3.64 1.61 7.64 -1.26 -5.08 113.62 109.23 1v86 n SER 5 Ca 0.00 1.34 -0.09 0.00 1.01 0.00 0.00 58.87 61.13 1v86 n SER 5 Cb 0.00 -5.15 -0.07 0.00 -1.01 0.00 0.00 64.21 57.99 1v86 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v86 s SER 6 N -1.06 -0.56 0.00 6.43 0.01 -1.26 -5.13 113.70 112.13 1v86 s SER 6 Ca -0.16 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1v86 s SER 6 Cb 0.01 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.34 1v86 s SER 6 CO 0.76 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.85 1v86 n GLY 7 N 2.69 2.63 2.68 3.44 0.00 -1.26 -5.15 105.19 110.22 1v86 n GLY 7 Ca -0.14 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 1v86 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1v86 s ASP 8 N 0.00 1.03 -0.44 1.61 -1.08 -1.26 -5.05 116.67 111.48 1v86 s ASP 8 Ca 0.00 0.08 0.03 0.00 -0.52 0.00 0.00 52.55 52.15 1v86 s ASP 8 Cb 0.00 -0.12 0.25 0.00 -1.46 0.00 0.00 42.92 41.58 1v86 s ASP 8 CO 0.00 -0.24 0.99 0.00 0.52 0.00 0.00 175.17 176.44 1v86 n ALA 9 N 5.19 -2.07 -2.56 3.66 0.00 -1.26 -5.16 120.51 118.32 1v86 n ALA 9 Ca -0.05 -1.07 -0.26 0.00 0.00 0.00 0.00 53.44 52.06 1v86 n ALA 9 Cb 0.50 -1.91 -0.09 0.00 0.00 0.00 0.00 19.45 17.95 1v86 n ALA 9 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1v86 s GLY 10 N -1.23 2.54 0.00 0.00 0.00 -1.26 -5.03 107.32 102.34 1v86 s GLY 10 Ca 0.30 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1v86 s GLY 10 CO -0.20 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 171.58 1v86 n GLY 11 N -0.93 1.09 2.56 0.20 0.00 -1.26 -5.07 105.19 101.78 1v86 n GLY 11 Ca -0.08 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.81 1v86 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v86 n GLY 12 N 0.00 -5.44 3.67 -0.02 0.00 -1.26 -5.05 105.19 97.09 1v86 n GLY 12 Ca 0.00 1.58 -0.24 0.00 0.00 0.00 0.00 46.02 47.36 1v86 n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1v86 s VAL 13 N -0.66 2.70 0.00 1.61 -7.23 -1.26 -4.92 120.40 110.65 1v86 s VAL 13 Ca -0.25 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1v86 s VAL 13 Cb 0.02 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1v86 s VAL 13 CO 0.67 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 1v86 n GLY 14 N -1.03 1.85 3.41 2.32 0.00 -1.26 -5.00 105.19 105.48 1v86 n GLY 14 Ca -0.04 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1v86 n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v86 s LYS 15 N 0.00 0.53 0.11 1.61 -2.85 -1.26 -5.13 119.74 112.74 1v86 s LYS 15 Ca 0.00 0.92 -0.31 0.00 -1.00 0.00 0.00 55.97 55.58 1v86 s LYS 15 Cb 0.00 0.07 -0.09 0.00 -2.06 0.00 0.00 37.83 35.75 1v86 s LYS 15 CO 0.00 -0.14 1.60 -2.00 0.10 0.00 0.00 175.35 174.90 1v86 s GLU 16 N 1.33 4.21 0.66 1.78 2.12 -1.26 -4.92 118.70 122.62 1v86 s GLU 16 Ca -0.08 2.32 -0.18 0.00 0.36 0.00 0.00 54.97 57.39 1v86 s GLU 16 Cb -0.07 -3.40 -0.13 0.00 0.26 0.00 0.00 34.13 30.79 1v86 s GLU 16 CO -0.13 -0.66 -0.18 1.28 -0.54 0.00 0.00 175.26 175.02 1v86 n LEU 17 N 4.84 -3.51 -4.82 2.70 7.99 -1.26 -4.90 117.00 118.05 1v86 n LEU 17 Ca 0.15 0.53 -0.36 0.00 -0.01 0.00 0.00 56.01 56.32 1v86 n LEU 17 Cb 0.40 -0.89 -0.06 0.00 -0.11 0.00 0.00 43.42 42.76 1v86 n LEU 17 CO 0.62 -4.82 0.38 0.54 -1.51 0.00 0.00 177.39 172.60 1v86 s VAL 18 N -1.98 4.63 -0.22 4.08 0.11 0.49 -4.72 120.40 122.79 1v86 s VAL 18 Ca 0.54 1.19 -0.26 0.00 -2.93 0.00 0.00 61.98 60.52 1v86 s VAL 18 Cb -0.40 -3.83 -0.00 0.00 -1.53 0.00 0.00 36.38 30.62 1v86 s VAL 18 CO 0.69 0.21 0.88 -1.81 -3.33 0.00 0.00 175.10 171.73 1v86 s ASP 19 N -1.67 6.92 0.02 3.54 1.01 -1.26 -2.36 116.67 122.87 1v86 s ASP 19 Ca 0.42 1.15 0.04 0.00 0.71 0.00 0.00 52.55 54.87 1v86 s ASP 19 Cb -0.16 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1v86 s ASP 19 CO 0.21 -0.52 -0.12 -0.76 0.21 0.00 0.00 175.17 174.18 1v86 s LEU 20 N 2.75 2.10 -0.34 1.23 1.43 -1.19 0.18 118.68 124.84 1v86 s LEU 20 Ca 0.38 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 1v86 s LEU 20 Cb -0.16 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1v86 s LEU 20 CO 0.08 0.07 0.27 -0.54 0.23 0.00 0.00 176.35 176.46 1v86 s LYS 21 N -0.74 3.53 -1.01 1.70 1.02 -1.24 -3.61 119.74 119.38 1v86 s LYS 21 Ca 0.02 -0.58 -0.23 0.00 0.02 0.00 0.00 55.97 55.20 1v86 s LYS 21 Cb -0.06 -3.80 0.05 0.00 -0.52 0.00 0.00 37.83 33.49 1v86 s LYS 21 CO 0.00 -0.46 1.46 0.42 -0.92 0.00 0.00 175.35 175.85 1v86 s ILE 22 N 1.80 3.90 0.11 2.17 -1.09 -1.18 -3.09 121.20 123.82 1v86 s ILE 22 Ca 0.08 -0.70 -0.26 0.00 -2.23 0.00 0.00 60.65 57.53 1v86 s ILE 22 Cb -0.17 -5.02 -0.07 0.00 -1.58 0.00 0.00 42.46 35.62 1v86 s ILE 22 CO 0.11 -1.91 0.82 -0.63 -1.23 0.00 0.00 174.94 172.09 1v86 s ILE 23 N 5.15 4.52 -0.30 2.92 -1.09 -0.07 -3.06 121.20 129.28 1v86 s ILE 23 Ca 0.46 1.76 -0.08 0.00 -2.23 0.00 0.00 60.65 60.56 1v86 s ILE 23 Cb -0.00 -4.17 0.18 0.00 -1.58 0.00 0.00 42.46 36.88 1v86 s ILE 23 CO -0.09 0.42 0.85 0.86 -1.23 0.00 0.00 174.94 175.75 1v86 s TRP 24 N -0.49 -1.01 0.00 3.97 -0.00 -1.21 -0.37 118.94 119.84 1v86 s TRP 24 Ca 0.39 1.17 0.00 0.00 -0.00 0.00 0.00 56.10 57.66 1v86 s TRP 24 Cb -0.22 0.39 0.00 0.00 -0.00 0.00 0.00 33.47 33.64 1v86 s TRP 24 CO 0.26 -0.54 0.00 0.09 -0.00 0.00 0.00 176.95 176.75 1v86 n ASN 25 N 5.40 0.00 -1.90 5.86 3.02 -1.26 -1.54 115.26 124.85 1v86 n ASN 25 Ca -0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.48 1v86 n ASN 25 Cb 0.52 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.74 1v86 n ASN 25 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1v86 n LYS 26 N 0.00 0.64 -4.42 3.52 -0.00 -1.26 -5.15 118.16 111.49 1v86 n LYS 26 Ca 0.00 -0.68 -0.23 0.00 -0.00 0.00 0.00 58.31 57.40 1v86 n LYS 26 Cb 0.00 0.30 -0.10 0.00 -0.00 0.00 0.00 35.03 35.23 1v86 n LYS 26 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1v86 s THR 27 N 0.06 2.24 -0.26 0.58 -4.23 -0.59 -5.12 115.64 108.32 1v86 s THR 27 Ca 0.04 -2.28 -0.03 0.00 -1.18 0.00 0.00 61.69 58.24 1v86 s THR 27 Cb 0.21 -2.18 0.09 0.00 1.34 0.00 0.00 72.50 71.95 1v86 s THR 27 CO -0.06 -0.40 0.10 -1.59 -0.54 0.00 0.00 174.62 172.13 1v86 s LYS 28 N -3.38 0.35 -0.41 3.99 -2.85 -1.26 -3.31 119.74 112.87 1v86 s LYS 28 Ca 0.26 -0.55 -0.13 0.00 -1.00 0.00 0.00 55.97 54.55 1v86 s LYS 28 Cb -0.04 -1.60 0.04 0.00 -2.06 0.00 0.00 37.83 34.17 1v86 s LYS 28 CO 0.12 -0.89 0.29 -1.01 0.10 0.00 0.00 175.35 173.95 1v86 s HIS 29 N 1.97 3.26 -0.08 1.78 3.76 -1.17 -4.92 115.29 119.89 1v86 s HIS 29 Ca 0.06 -0.93 -0.30 0.00 -0.15 0.00 0.00 55.06 53.75 1v86 s HIS 29 Cb -0.16 -2.73 -0.05 0.00 1.11 0.00 0.00 32.58 30.75 1v86 s HIS 29 CO -0.25 -0.70 1.59 0.34 -0.85 0.00 0.00 174.74 174.88 1v86 s ASP 30 N 1.92 6.70 -0.01 1.40 2.15 -1.26 -3.10 116.67 124.47 1v86 s ASP 30 Ca 0.03 2.13 -0.01 0.00 0.43 0.00 0.00 52.55 55.13 1v86 s ASP 30 Cb -0.21 -2.53 -0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1v86 s ASP 30 CO 0.07 -0.91 0.03 0.68 -0.17 0.00 0.00 175.17 174.87 1v86 s VAL 31 N 4.00 0.03 -0.22 1.11 -7.23 -1.24 -5.05 120.40 111.80 1v86 s VAL 31 Ca 0.70 -0.25 -0.05 0.00 -1.81 0.00 0.00 61.98 60.58 1v86 s VAL 31 Cb -0.31 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.48 1v86 s VAL 31 CO 0.27 -0.14 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.32 1v86 s LYS 32 N -0.41 3.47 0.06 4.82 -2.85 -1.26 -3.14 119.74 120.43 1v86 s LYS 32 Ca -0.05 -0.58 0.03 0.00 -1.00 0.00 0.00 55.97 54.38 1v86 s LYS 32 Cb -0.03 -3.08 -0.03 0.00 -2.06 0.00 0.00 37.83 32.63 1v86 s LYS 32 CO -0.00 -0.16 -0.10 0.14 0.10 0.00 0.00 175.35 175.33 1v86 s VAL 33 N 1.42 0.76 0.52 1.79 -7.23 -0.99 -4.86 120.40 111.80 1v86 s VAL 33 Ca 0.05 -1.21 -0.19 0.00 -1.81 0.00 0.00 61.98 58.82 1v86 s VAL 33 Cb -0.14 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.89 1v86 s VAL 33 CO -0.01 -0.35 1.04 -2.16 -0.31 0.00 0.00 175.10 173.31 1v86 s PRO 34 N -1.76 3.67 0.49 4.82 0.04 -1.26 0.19 135.00 141.19 1v86 s PRO 34 Ca -0.06 1.30 0.29 0.00 0.04 0.00 0.00 61.00 62.57 1v86 s PRO 34 Cb -0.09 -2.08 0.91 0.00 0.04 0.00 0.00 34.50 33.27 1v86 s PRO 34 CO 0.01 -0.53 1.81 1.25 0.04 0.00 0.00 177.00 179.58 1v86 h LEU 35 N 1.21 0.00 -1.34 -3.56 5.85 -1.94 -2.63 115.31 112.90 1v86 h LEU 35 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1v86 h LEU 35 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1v86 h LEU 35 CO 0.59 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.13 1v86 h ASP 36 N 0.00 0.00 -3.48 1.25 5.19 -1.98 -3.13 116.42 114.27 1v86 h ASP 36 Ca 0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.85 1v86 h ASP 36 Cb 0.73 0.00 0.11 0.00 0.18 0.00 0.00 39.33 40.34 1v86 h ASP 36 CO 0.00 0.00 0.65 -1.20 -3.12 0.00 0.00 179.24 175.57 1v86 n SER 37 N -2.39 3.26 -4.79 6.45 7.64 -0.99 -4.84 113.62 117.95 1v86 n SER 37 Ca -0.00 1.20 -0.36 0.00 1.01 0.00 0.00 58.87 60.72 1v86 n SER 37 Cb 0.12 -1.54 -0.06 0.00 -1.01 0.00 0.00 64.21 61.72 1v86 n SER 37 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1v86 s THR 38 N -0.90 4.31 0.57 0.44 -4.23 -1.26 -2.11 115.64 112.46 1v86 s THR 38 Ca 0.57 1.66 0.43 0.00 -1.18 0.00 0.00 61.69 63.17 1v86 s THR 38 Cb -0.53 -3.95 0.63 0.00 1.34 0.00 0.00 72.50 69.99 1v86 s THR 38 CO 0.60 0.13 1.49 1.23 -0.54 0.00 0.00 174.62 177.54 1v86 h GLY 39 N 3.16 0.00 0.35 3.99 0.00 -1.44 1.46 103.07 110.60 1v86 h GLY 39 Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1v86 h GLY 39 CO 0.65 0.00 -0.38 0.23 0.00 0.00 0.00 176.54 177.03 1v86 h SER 40 N 0.00 0.23 -0.93 0.19 0.87 -1.84 -3.30 113.55 108.77 1v86 h SER 40 Ca 0.80 -0.96 0.37 0.00 -1.23 0.00 0.00 61.79 60.77 1v86 h SER 40 Cb 3.51 -0.07 -0.17 0.00 -0.44 0.00 0.00 62.40 65.22 1v86 h SER 40 CO -0.01 1.17 0.42 -0.62 -0.53 0.00 0.00 176.83 177.26 1v86 n GLU 41 N -4.38 -0.06 -0.33 2.24 1.02 0.50 0.13 120.64 119.75 1v86 n GLU 41 Ca -0.12 1.30 0.05 0.00 -0.02 0.00 0.00 57.16 58.38 1v86 n GLU 41 Cb 0.63 -2.30 0.14 0.00 -0.02 0.00 0.00 31.44 29.90 1v86 n GLU 41 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1v86 h LEU 42 N 0.00 -0.83 -0.15 -4.62 3.38 -1.59 1.16 115.31 112.66 1v86 h LEU 42 Ca 0.75 0.28 0.02 0.00 0.09 0.00 0.00 57.88 59.02 1v86 h LEU 42 Cb 1.94 0.57 -0.03 0.00 0.09 0.00 0.00 40.66 43.22 1v86 h LEU 42 CO -0.74 -0.31 -0.24 0.11 0.09 0.00 0.00 178.44 177.35 1v86 h LYS 43 N 0.00 -0.18 0.00 1.13 1.79 0.80 1.68 116.57 121.80 1v86 h LYS 43 Ca 0.46 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1v86 h LYS 43 Cb 0.72 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1v86 h LYS 43 CO -0.95 -0.12 0.00 1.96 -1.08 0.00 0.00 179.45 179.26 1v86 h GLN 44 N -0.19 0.00 0.01 3.15 4.20 -0.93 1.25 115.11 122.60 1v86 h GLN 44 Ca 0.03 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.55 1v86 h GLN 44 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1v86 h GLN 44 CO -0.24 0.00 -0.91 -0.22 -0.67 0.00 0.00 178.83 176.79 1v86 h LYS 45 N 0.00 0.03 0.05 1.46 1.63 0.63 -2.53 116.57 117.84 1v86 h LYS 45 Ca 0.00 -0.04 -0.34 0.00 -0.85 0.00 0.00 60.65 59.42 1v86 h LYS 45 Cb 0.11 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1v86 h LYS 45 CO 0.00 0.91 -1.93 -0.89 -3.45 0.00 0.00 179.45 174.09 1v86 n ILE 46 N -3.49 1.63 0.22 2.00 5.41 0.52 -4.04 119.36 121.61 1v86 n ILE 46 Ca -0.01 -0.43 0.17 0.00 1.00 0.00 0.00 62.75 63.48 1v86 n ILE 46 Cb 0.85 -1.79 0.84 0.00 -0.71 0.00 0.00 39.64 38.83 1v86 n ILE 46 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1v86 h HIS 47 N -0.39 0.00 0.00 1.39 -0.00 0.13 1.50 115.15 117.79 1v86 h HIS 47 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 1v86 h HIS 47 Cb 1.75 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.16 1v86 h HIS 47 CO 0.06 0.00 0.00 0.43 -0.00 0.00 0.00 177.93 178.42 1v86 n SER 48 N -3.84 0.34 0.01 3.26 7.64 -0.95 -1.86 113.62 118.23 1v86 n SER 48 Ca 0.01 0.55 -0.02 0.00 1.01 0.00 0.00 58.87 60.41 1v86 n SER 48 Cb 0.28 -0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 62.83 1v86 n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1v86 n ILE 49 N -1.84 1.22 -0.22 0.44 5.41 0.29 -4.67 119.36 119.98 1v86 n ILE 49 Ca 0.05 0.32 0.18 0.00 1.00 0.00 0.00 62.75 64.30 1v86 n ILE 49 Cb 0.31 -1.76 0.51 0.00 -0.71 0.00 0.00 39.64 37.99 1v86 n ILE 49 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1v86 h THR 50 N -0.27 0.70 0.00 1.39 1.35 0.15 -3.45 112.91 112.78 1v86 h THR 50 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1v86 h THR 50 Cb 0.27 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 1v86 h THR 50 CO 0.00 0.07 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1v86 n GLY 51 N -1.52 2.55 3.93 5.82 0.00 -0.77 -5.01 105.19 110.18 1v86 n GLY 51 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1v86 n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v86 s LEU 52 N 0.00 2.98 0.43 0.99 2.34 -1.26 -5.00 118.68 119.16 1v86 s LEU 52 Ca 0.00 0.54 -0.23 0.00 0.06 0.00 0.00 54.13 54.51 1v86 s LEU 52 Cb 0.00 -3.27 -0.09 0.00 -0.56 0.00 0.00 46.19 42.28 1v86 s LEU 52 CO 0.00 -1.39 1.05 -2.16 -1.06 0.00 0.00 176.35 172.79 1v86 s PRO 53 N -5.14 4.02 0.32 1.48 0.04 -1.26 -4.52 135.00 129.94 1v86 s PRO 53 Ca 0.58 1.46 0.16 0.00 0.04 0.00 0.00 61.00 63.24 1v86 s PRO 53 Cb -0.11 -2.37 0.42 0.00 0.04 0.00 0.00 34.50 32.49 1v86 s PRO 53 CO 0.45 -0.26 1.61 -1.00 0.04 0.00 0.00 177.00 177.84 1v86 h PRO 54 N 2.13 0.00 -0.01 0.56 0.13 -1.94 -2.90 132.00 129.98 1v86 h PRO 54 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1v86 h PRO 54 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1v86 h PRO 54 CO 0.61 0.47 0.01 0.00 -0.23 0.00 0.00 178.00 178.86 1v86 h ALA 55 N 1.53 1.61 -0.01 -0.56 0.00 -1.99 0.17 119.26 120.00 1v86 h ALA 55 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1v86 h ALA 55 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1v86 h ALA 55 CO 0.06 -0.02 -0.58 -1.33 0.00 0.00 0.00 179.25 177.39 1v86 n MET 56 N -3.94 1.02 -2.66 0.00 2.81 -1.11 -4.96 117.12 108.28 1v86 n MET 56 Ca -0.03 -0.78 -0.33 0.00 -1.81 0.00 0.00 57.70 54.76 1v86 n MET 56 Cb 0.10 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.08 1v86 n MET 56 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1v86 s GLN 57 N -2.55 4.12 -0.42 0.03 -0.21 0.58 -4.57 119.66 116.65 1v86 s GLN 57 Ca 0.16 1.07 0.02 0.00 0.02 0.00 0.00 55.36 56.62 1v86 s GLN 57 Cb 0.17 -2.16 0.13 0.00 1.00 0.00 0.00 33.01 32.15 1v86 s GLN 57 CO 0.62 -0.13 0.21 0.21 -2.12 0.00 0.00 175.29 174.09 1v86 s LYS 58 N -3.49 1.25 -0.50 2.91 2.47 -1.26 -4.97 119.74 116.13 1v86 s LYS 58 Ca 0.61 -1.89 -0.29 0.00 -1.56 0.00 0.00 55.97 52.84 1v86 s LYS 58 Cb -0.09 -2.38 0.02 0.00 -1.46 0.00 0.00 37.83 33.92 1v86 s LYS 58 CO 0.20 -1.12 1.24 0.08 0.16 0.00 0.00 175.35 175.91 1v86 s VAL 59 N 0.53 4.04 -0.17 4.02 1.01 -1.26 -4.45 120.40 124.12 1v86 s VAL 59 Ca 0.16 1.01 -0.06 0.00 0.00 0.00 0.00 61.98 63.09 1v86 s VAL 59 Cb -0.23 -4.54 0.08 0.00 0.00 0.00 0.00 36.38 31.69 1v86 s VAL 59 CO -0.04 -1.07 0.36 -0.04 0.00 0.00 0.00 175.10 174.32 1v86 s MET 60 N 4.82 0.26 -0.32 2.72 -1.94 -1.26 -4.19 119.30 119.39 1v86 s MET 60 Ca 0.50 0.93 0.01 0.00 -1.71 0.00 0.00 55.69 55.42 1v86 s MET 60 Cb -0.09 0.19 0.10 0.00 2.01 0.00 0.00 34.83 37.05 1v86 s MET 60 CO 0.30 -0.26 0.08 -0.47 -0.01 0.00 0.00 175.02 174.66 1v86 s TYR 61 N 2.52 2.45 -0.57 -0.03 5.04 -1.26 -4.15 117.35 121.34 1v86 s TYR 61 Ca -0.01 -2.20 0.00 0.00 -2.44 0.00 0.00 57.07 52.42 1v86 s TYR 61 Cb -0.12 -2.15 0.00 0.00 0.35 0.00 0.00 41.96 40.04 1v86 s TYR 61 CO -0.11 -0.90 0.00 1.63 -1.34 0.00 0.00 175.55 174.83 1v86 n LYS 62 N 4.61 -2.05 0.00 4.97 5.02 -1.26 -4.66 118.16 124.79 1v86 n LYS 62 Ca 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1v86 n LYS 62 Cb 0.42 -4.71 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 1v86 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v86 n GLY 63 N -0.45 4.02 3.66 0.72 0.00 -1.26 -5.12 105.19 106.76 1v86 n GLY 63 Ca -0.07 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1v86 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v86 n LEU 64 N 0.00 3.01 -4.47 0.99 7.99 -1.26 -4.72 117.00 118.54 1v86 n LEU 64 Ca 0.00 1.15 -0.40 0.00 -0.01 0.00 0.00 56.01 56.75 1v86 n LEU 64 Cb 0.00 -1.41 -0.11 0.00 -0.11 0.00 0.00 43.42 41.79 1v86 n LEU 64 CO 0.00 -0.92 -0.15 -0.69 -1.51 0.00 0.00 177.39 174.12 1v86 s VAL 65 N -1.14 4.94 -0.42 4.08 1.01 -1.26 -4.88 120.40 122.73 1v86 s VAL 65 Ca 0.58 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1v86 s VAL 65 Cb -0.59 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1v86 s VAL 65 CO 0.60 -0.04 1.42 -2.16 0.00 0.00 0.00 175.10 174.91 1v86 s PRO 66 N 1.66 3.56 0.62 2.72 0.04 -1.26 -4.86 135.00 137.48 1v86 s PRO 66 Ca 0.05 0.91 0.40 0.00 0.04 0.00 0.00 61.00 62.40 1v86 s PRO 66 Cb -0.18 -4.03 2.05 0.00 0.04 0.00 0.00 34.50 32.38 1v86 s PRO 66 CO 0.08 -1.59 2.25 0.93 0.04 0.00 0.00 177.00 178.71 1v86 h GLU 67 N 10.75 0.00 0.00 4.56 5.08 -1.95 0.16 114.58 133.18 1v86 h GLU 67 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1v86 h GLU 67 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1v86 h GLU 67 CO 1.09 0.01 0.00 -0.25 -1.00 0.00 0.00 179.01 178.86 1v86 n ASP 68 N -3.19 0.37 -4.25 1.42 9.92 -1.26 -4.01 116.55 115.55 1v86 n ASP 68 Ca -0.02 0.57 -0.23 0.00 -0.53 0.00 0.00 54.79 54.58 1v86 n ASP 68 Cb 0.14 -0.66 -0.13 0.00 -0.64 0.00 0.00 41.12 39.84 1v86 n ASP 68 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1v86 s LYS 69 N -3.13 1.15 0.66 -1.24 -0.14 0.55 -5.01 119.74 112.58 1v86 s LYS 69 Ca 0.08 -1.03 -0.10 0.00 -1.36 0.00 0.00 55.97 53.56 1v86 s LYS 69 Cb 0.11 -1.31 0.00 0.00 -1.68 0.00 0.00 37.83 34.95 1v86 s LYS 69 CO 0.40 0.32 1.03 0.95 -0.76 0.00 0.00 175.35 177.29 1v86 s THR 70 N -1.03 3.82 0.15 2.17 -4.23 -1.26 -1.63 115.64 113.63 1v86 s THR 70 Ca 0.05 0.46 -0.26 0.00 -1.18 0.00 0.00 61.69 60.77 1v86 s THR 70 Cb -0.09 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.18 1v86 s THR 70 CO 0.03 -0.71 1.59 -0.07 -0.54 0.00 0.00 174.62 174.92 1v86 h LEU 71 N -0.46 -1.21 -1.94 4.79 3.38 -1.48 1.80 115.31 120.19 1v86 h LEU 71 Ca -0.45 0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1v86 h LEU 71 Cb 1.24 0.53 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 1v86 h LEU 71 CO 0.63 -0.36 0.36 -0.09 0.09 0.00 0.00 178.44 179.06 1v86 h ARG 72 N -0.35 0.00 0.04 1.13 2.43 -1.81 0.68 114.38 116.51 1v86 h ARG 72 Ca 0.13 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.94 1v86 h ARG 72 Cb 0.57 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 1v86 h ARG 72 CO -0.49 0.00 -2.20 0.39 -1.51 0.00 0.00 179.97 176.16 1v86 n GLU 73 N -2.92 0.69 0.00 0.20 1.02 0.36 -4.02 120.64 115.97 1v86 n GLU 73 Ca -0.01 0.18 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 1v86 n GLU 73 Cb 0.41 -1.62 0.68 0.00 -0.02 0.00 0.00 31.44 30.89 1v86 n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1v86 n ILE 74 N -3.21 0.13 -1.08 -3.67 -6.64 0.52 -4.91 119.36 100.51 1v86 n ILE 74 Ca -0.35 0.03 0.00 0.00 -1.77 0.00 0.00 62.75 60.66 1v86 n ILE 74 Cb 1.05 -0.60 0.00 0.00 -1.44 0.00 0.00 39.64 38.65 1v86 n ILE 74 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1v86 n LYS 75 N -1.27 0.00 -3.80 6.28 5.02 0.20 -5.02 118.16 119.57 1v86 n LYS 75 Ca 0.13 0.36 -0.12 0.00 -2.02 0.00 0.00 58.31 56.66 1v86 n LYS 75 Cb 0.20 -0.72 -0.11 0.00 -0.02 0.00 0.00 35.03 34.38 1v86 n LYS 75 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1v86 s VAL 76 N 0.00 0.02 0.16 -0.18 1.01 -1.03 -4.94 120.40 115.44 1v86 s VAL 76 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1v86 s VAL 76 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1v86 s VAL 76 CO 0.00 -0.10 0.08 0.35 0.00 0.00 0.00 175.10 175.43 1v86 n THR 77 N 2.48 0.00 -2.51 3.92 -2.24 -1.26 -4.65 114.28 110.03 1v86 n THR 77 Ca -0.16 -0.97 -0.42 0.00 -2.27 0.00 0.00 64.05 60.24 1v86 n THR 77 Cb 0.58 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 1v86 n THR 77 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1v86 s SER 78 N -1.99 6.26 0.00 3.42 1.04 -1.26 -2.89 113.70 118.27 1v86 s SER 78 Ca 0.11 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1v86 s SER 78 Cb 0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1v86 s SER 78 CO 0.08 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.25 1v86 n GLY 79 N 5.21 1.83 3.67 7.32 0.00 0.47 -4.86 105.19 118.83 1v86 n GLY 79 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1v86 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v86 s ALA 80 N -2.00 3.63 0.33 4.61 0.00 -1.14 -4.87 121.76 122.32 1v86 s ALA 80 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.03 1v86 s ALA 80 Cb 0.00 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 1v86 s ALA 80 CO 0.00 -1.02 1.32 0.21 0.00 0.00 0.00 175.76 176.27 1v86 s LYS 81 N 3.10 4.34 -0.16 0.00 2.47 -1.26 -3.66 119.74 124.56 1v86 s LYS 81 Ca 0.50 2.25 -0.04 0.00 -1.56 0.00 0.00 55.97 57.12 1v86 s LYS 81 Cb -0.19 -3.06 0.05 0.00 -1.46 0.00 0.00 37.83 33.17 1v86 s LYS 81 CO 0.12 -0.22 0.06 0.42 0.16 0.00 0.00 175.35 175.90 1v86 s ILE 82 N -1.12 0.12 0.04 5.43 -1.09 -1.18 -4.83 121.20 118.56 1v86 s ILE 82 Ca 0.49 -0.20 -0.21 0.00 -2.23 0.00 0.00 60.65 58.51 1v86 s ILE 82 Cb -0.40 -0.66 -0.06 0.00 -1.58 0.00 0.00 42.46 39.75 1v86 s ILE 82 CO 0.54 -0.18 0.61 -0.32 -1.23 0.00 0.00 174.94 174.36 1v86 s MET 83 N 2.05 4.30 0.01 2.79 -2.45 -1.26 -0.89 119.30 123.85 1v86 s MET 83 Ca 0.02 0.78 0.07 0.00 -1.25 0.00 0.00 55.69 55.31 1v86 s MET 83 Cb -0.16 -3.30 -0.03 0.00 1.25 0.00 0.00 34.83 32.60 1v86 s MET 83 CO -0.08 0.47 -0.21 0.08 1.05 0.00 0.00 175.02 176.33 1v86 s VAL 84 N -0.57 2.51 0.52 10.11 1.01 0.50 -4.36 120.40 130.13 1v86 s VAL 84 Ca 0.31 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1v86 s VAL 84 Cb -0.19 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.26 1v86 s VAL 84 CO 0.19 0.46 0.71 0.68 0.00 0.00 0.00 175.10 177.14 1v86 s VAL 85 N -0.77 2.59 0.00 2.92 -7.23 -1.26 -4.26 120.40 112.38 1v86 s VAL 85 Ca 0.12 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 1v86 s VAL 85 Cb -0.10 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1v86 s VAL 85 CO 0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1v86 n GLY 86 N -2.14 5.46 1.63 2.32 0.00 -1.26 -4.77 105.19 106.43 1v86 n GLY 86 Ca 0.11 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 1v86 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v86 n SER 87 N 0.00 -2.60 -3.53 1.61 2.88 -1.26 -4.96 113.62 105.76 1v86 n SER 87 Ca 0.00 0.08 -0.35 0.00 -1.33 0.00 0.00 58.87 57.27 1v86 n SER 87 Cb 0.00 -1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 62.00 1v86 n SER 87 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1v86 n THR 88 N -0.30 4.43 -1.60 2.46 5.66 -1.26 -4.98 114.28 118.68 1v86 n THR 88 Ca 0.01 -5.73 -0.45 0.00 -3.05 0.00 0.00 64.05 54.83 1v86 n THR 88 Cb 0.03 -1.77 -0.02 0.00 -1.55 0.00 0.00 70.33 67.02 1v86 n THR 88 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1v86 n ILE 89 N 0.46 1.68 -2.39 1.09 3.06 -1.26 -4.18 119.36 117.82 1v86 n ILE 89 Ca 0.34 -0.42 -0.01 0.00 -2.50 0.00 0.00 62.75 60.16 1v86 n ILE 89 Cb 0.34 -1.04 -0.01 0.00 0.54 0.00 0.00 39.64 39.47 1v86 n ILE 89 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1v86 n SER 90 N 1.44 -7.69 0.00 9.51 2.88 -1.26 -5.07 113.62 113.44 1v86 n SER 90 Ca 0.11 1.75 0.00 0.00 -1.33 0.00 0.00 58.87 59.40 1v86 n SER 90 Cb 0.31 -5.21 0.00 0.00 -0.75 0.00 0.00 64.21 58.56 1v86 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v86 n GLY 91 N 1.80 0.91 3.78 0.46 0.00 -1.26 -5.17 105.19 105.71 1v86 n GLY 91 Ca -0.09 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1v86 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v86 s PRO 92 N 0.00 0.65 -0.02 1.61 0.04 -1.26 -4.99 135.00 131.03 1v86 s PRO 92 Ca 0.00 0.10 -0.30 0.00 0.04 0.00 0.00 61.00 60.84 1v86 s PRO 92 Cb 0.00 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 1v86 s PRO 92 CO 0.00 -2.49 1.11 -1.12 0.04 0.00 0.00 177.00 174.54 1v86 s SER 93 N -4.16 7.17 0.27 6.66 0.01 -1.26 -4.82 113.70 117.57 1v86 s SER 93 Ca 0.67 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1v86 s SER 93 Cb -0.12 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1v86 s SER 93 CO 0.54 -0.45 0.00 -0.24 0.41 0.00 0.00 173.24 173.50 1v86 n SER 94 N 4.49 -0.46 0.00 2.44 2.88 -1.26 -5.35 113.62 116.36 1v86 n SER 94 Ca 0.09 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1v86 n SER 94 Cb 0.48 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.57 1v86 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42