#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b5m n VAL 4 N 0.00 2.37 -3.34 0.00 0.31 -1.26 -4.99 118.33 111.42 1b5m n VAL 4 Ca 0.00 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.52 1b5m n VAL 4 Cb 0.00 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.27 1b5m n VAL 4 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1b5m s THR 5 N -1.16 4.92 0.12 2.52 2.01 -1.26 -5.03 115.64 117.75 1b5m s THR 5 Ca 0.59 0.43 0.08 0.00 0.31 0.00 0.00 61.69 63.10 1b5m s THR 5 Cb -0.52 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1b5m s THR 5 CO 0.60 -0.16 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.87 1b5m s TYR 6 N -1.92 1.70 0.42 4.92 1.51 -1.26 -2.40 117.35 120.32 1b5m s TYR 6 Ca 0.47 -0.45 0.06 0.00 -1.01 0.00 0.00 57.07 56.15 1b5m s TYR 6 Cb -0.11 -0.90 -0.06 0.00 -0.11 0.00 0.00 41.96 40.77 1b5m s TYR 6 CO 0.23 0.22 0.06 0.71 -1.11 0.00 0.00 175.55 175.66 1b5m s TYR 7 N -1.52 2.45 -0.03 2.71 1.51 -0.58 -4.92 117.35 116.98 1b5m s TYR 7 Ca 0.08 -0.68 0.04 0.00 -1.01 0.00 0.00 57.07 55.50 1b5m s TYR 7 Cb -0.08 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1b5m s TYR 7 CO 0.05 0.34 -0.15 0.50 -1.11 0.00 0.00 175.55 175.18 1b5m s ARG 8 N -3.79 1.38 0.25 -0.62 3.52 -1.26 -0.03 118.95 118.40 1b5m s ARG 8 Ca 0.33 -0.52 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 1b5m s ARG 8 Cb 0.07 -1.27 0.54 0.00 -1.56 0.00 0.00 34.95 32.73 1b5m s ARG 8 CO 0.18 0.26 1.32 1.28 -0.81 0.00 0.00 175.30 177.52 1b5m n LEU 9 N 2.97 -0.19 0.05 -0.88 4.77 -1.26 0.03 117.00 122.50 1b5m n LEU 9 Ca -0.16 1.44 -0.11 0.00 -0.03 0.00 0.00 56.01 57.15 1b5m n LEU 9 Cb 0.54 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1b5m n LEU 9 CO 0.25 -1.42 0.72 -0.08 -1.33 0.00 0.00 177.39 175.52 1b5m h GLU 10 N 0.00 -0.32 -0.80 3.23 4.22 -1.98 0.32 114.58 119.25 1b5m h GLU 10 Ca 0.47 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.89 1b5m h GLU 10 Cb 0.87 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1b5m h GLU 10 CO -0.82 -0.22 0.33 0.93 -2.18 0.00 0.00 179.01 177.05 1b5m h GLU 11 N -0.34 1.18 -0.22 1.92 5.08 -0.80 -2.61 114.58 118.80 1b5m h GLU 11 Ca 0.07 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1b5m h GLU 11 Cb 0.43 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1b5m h GLU 11 CO -0.22 0.94 -0.13 0.28 -1.00 0.00 0.00 179.01 178.89 1b5m h VAL 12 N 1.15 0.62 -0.19 3.13 2.07 0.66 -1.81 116.25 121.89 1b5m h VAL 12 Ca 0.27 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.84 1b5m h VAL 12 Cb 0.19 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1b5m h VAL 12 CO -0.02 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.92 1b5m h ALA 13 N 1.06 1.70 0.00 1.67 0.00 -0.03 -1.07 119.26 122.59 1b5m h ALA 13 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1b5m h ALA 13 Cb 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1b5m h ALA 13 CO -0.29 -0.46 -0.06 0.87 0.00 0.00 0.00 179.25 179.32 1b5m h LYS 14 N 0.00 0.00 -1.77 0.00 1.57 -1.20 -3.32 116.57 111.85 1b5m h LYS 14 Ca 0.09 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.49 1b5m h LYS 14 Cb 0.81 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.97 1b5m h LYS 14 CO -0.00 0.06 0.34 0.54 -0.57 0.00 0.00 179.45 179.82 1b5m n ARG 15 N -3.18 2.05 0.00 3.15 3.00 -0.41 -4.68 116.66 116.59 1b5m n ARG 15 Ca 0.01 -1.82 0.13 0.00 -0.01 0.00 0.00 57.85 56.15 1b5m n ARG 15 Cb 0.35 -1.85 0.76 0.00 0.00 0.00 0.00 32.46 31.71 1b5m n ARG 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1b5m n ASN 16 N 0.75 0.00 -4.93 0.55 2.04 -1.25 -2.66 115.26 109.76 1b5m n ASN 16 Ca 0.38 -1.20 -0.23 0.00 -0.44 0.00 0.00 54.58 53.09 1b5m n ASN 16 Cb 0.59 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.85 1b5m n ASN 16 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1b5m s THR 17 N -2.00 2.01 -0.25 5.53 -4.23 -0.99 -4.69 115.64 111.02 1b5m s THR 17 Ca 0.38 -1.32 0.18 0.00 -1.18 0.00 0.00 61.69 59.74 1b5m s THR 17 Cb 0.18 -2.33 0.15 0.00 1.34 0.00 0.00 72.50 71.84 1b5m s THR 17 CO 0.30 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.87 1b5m h ALA 18 N 0.65 0.78 -0.57 3.99 0.00 -1.99 -2.55 119.26 119.58 1b5m h ALA 18 Ca -0.36 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.13 1b5m h ALA 18 Cb 1.29 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1b5m h ALA 18 CO 0.53 0.42 -0.08 0.93 0.00 0.00 0.00 179.25 181.05 1b5m h GLU 19 N 0.00 1.06 -1.97 0.00 4.39 -1.97 -3.42 114.58 112.67 1b5m h GLU 19 Ca -0.00 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 59.24 1b5m h GLU 19 Cb 1.26 -0.07 -0.27 0.00 -0.10 0.00 0.00 28.75 29.57 1b5m h GLU 19 CO 0.04 1.08 -0.39 -2.00 -1.16 0.00 0.00 179.01 176.58 1b5m s GLU 20 N -4.89 0.39 -0.19 2.33 2.12 -1.09 -5.00 118.70 112.36 1b5m s GLU 20 Ca -0.12 0.83 -0.03 0.00 0.36 0.00 0.00 54.97 56.01 1b5m s GLU 20 Cb 0.13 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 1b5m s GLU 20 CO 0.87 -0.48 -0.05 0.99 -0.54 0.00 0.00 175.26 176.05 1b5m s THR 21 N 2.64 3.49 0.21 -1.70 2.01 -0.98 -2.35 115.64 118.96 1b5m s THR 21 Ca 0.08 -0.47 0.08 0.00 0.31 0.00 0.00 61.69 61.69 1b5m s THR 21 Cb -0.14 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 1b5m s THR 21 CO -0.16 0.45 -0.15 0.26 -0.69 0.00 0.00 174.62 174.33 1b5m s TRP 22 N 1.07 1.78 0.11 4.92 0.52 -1.09 -0.21 118.94 126.05 1b5m s TRP 22 Ca 0.01 -0.54 -0.25 0.00 0.02 0.00 0.00 56.10 55.35 1b5m s TRP 22 Cb -0.15 -0.83 0.07 0.00 -1.15 0.00 0.00 33.47 31.42 1b5m s TRP 22 CO -0.00 0.39 0.62 1.41 0.02 0.00 0.00 176.95 179.39 1b5m s MET 23 N -3.53 1.22 -0.14 4.98 1.75 -0.79 -0.81 119.30 121.97 1b5m s MET 23 Ca 0.22 -0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.39 1b5m s MET 23 Cb -0.02 0.57 0.02 0.00 2.84 0.00 0.00 34.83 38.24 1b5m s MET 23 CO 0.08 -0.50 -0.17 0.08 -0.65 0.00 0.00 175.02 173.86 1b5m s VAL 24 N -3.11 1.71 -0.10 10.11 1.01 -0.19 -1.24 120.40 128.60 1b5m s VAL 24 Ca -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1b5m s VAL 24 Cb -0.01 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.82 1b5m s VAL 24 CO -0.07 0.48 -0.10 -0.63 0.00 0.00 0.00 175.10 174.78 1b5m s ILE 25 N 1.23 1.15 -1.46 2.22 1.01 -0.72 -0.97 121.20 123.66 1b5m s ILE 25 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1b5m s ILE 25 Cb -0.14 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1b5m s ILE 25 CO -0.08 0.38 0.32 1.41 0.00 0.00 0.00 174.94 176.97 1b5m n HIS 26 N 4.44 -1.54 -2.29 3.97 8.25 -1.26 -2.34 115.22 124.44 1b5m n HIS 26 Ca -0.17 0.71 -0.18 0.00 -0.26 0.00 0.00 57.72 57.82 1b5m n HIS 26 Cb 0.51 -3.45 -0.01 0.00 1.12 0.00 0.00 29.99 28.15 1b5m n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b5m n GLY 27 N -2.12 -0.25 3.03 -1.41 0.00 -1.26 -5.01 105.19 98.17 1b5m n GLY 27 Ca -0.30 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 1b5m n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b5m s ARG 28 N -4.81 0.88 0.23 1.61 3.00 -0.99 -2.43 118.95 116.44 1b5m s ARG 28 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 55.73 55.35 1b5m s ARG 28 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 34.95 34.06 1b5m s ARG 28 CO 0.00 0.18 0.46 0.08 0.00 0.00 0.00 175.30 176.02 1b5m s VAL 29 N -0.08 5.11 0.03 3.52 1.01 0.43 -1.75 120.40 128.67 1b5m s VAL 29 Ca 0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 1b5m s VAL 29 Cb -0.06 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1b5m s VAL 29 CO -0.00 -0.19 0.20 -0.31 0.00 0.00 0.00 175.10 174.80 1b5m s TYR 30 N -1.91 0.03 -0.46 5.22 1.51 -0.37 -1.16 117.35 120.20 1b5m s TYR 30 Ca 0.41 -0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 56.23 1b5m s TYR 30 Cb -0.11 -0.02 0.12 0.00 -0.11 0.00 0.00 41.96 41.84 1b5m s TYR 30 CO 0.28 -0.41 0.27 0.34 -1.11 0.00 0.00 175.55 174.92 1b5m s ASP 31 N -1.94 5.34 0.00 2.29 2.15 0.17 -1.89 116.67 122.80 1b5m s ASP 31 Ca -0.07 -2.15 0.29 0.00 0.43 0.00 0.00 52.55 51.06 1b5m s ASP 31 Cb -0.02 -1.87 1.29 0.00 -0.30 0.00 0.00 42.92 42.02 1b5m s ASP 31 CO -0.03 -0.54 1.92 -0.38 -0.17 0.00 0.00 175.17 175.97 1b5m n ILE 32 N 4.47 0.00 -0.20 4.11 -0.00 0.71 -4.47 119.36 123.98 1b5m n ILE 32 Ca -0.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 62.75 62.67 1b5m n ILE 32 Cb 0.41 -0.30 -0.04 0.00 -0.00 0.00 0.00 39.64 39.71 1b5m n ILE 32 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1b5m n THR 33 N -1.22 -0.32 0.61 1.39 -1.04 -1.15 0.22 114.28 112.78 1b5m n THR 33 Ca 0.12 1.15 0.11 0.00 -2.04 0.00 0.00 64.05 63.40 1b5m n THR 33 Cb 0.28 -1.44 0.45 0.00 -1.82 0.00 0.00 70.33 67.80 1b5m n THR 33 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1b5m n ARG 34 N -4.61 0.12 0.10 -2.82 1.74 -1.26 -4.05 116.66 105.88 1b5m n ARG 34 Ca 0.01 0.24 -0.22 0.00 -0.77 0.00 0.00 57.85 57.12 1b5m n ARG 34 Cb 0.13 -1.68 -0.15 0.00 -1.02 0.00 0.00 32.46 29.74 1b5m n ARG 34 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1b5m h PHE 35 N 0.00 0.74 -0.09 -1.55 3.57 -0.54 -3.41 116.94 115.66 1b5m h PHE 35 Ca 0.00 -0.54 0.02 0.00 3.53 0.00 0.00 57.97 60.97 1b5m h PHE 35 Cb 0.45 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1b5m h PHE 35 CO 0.00 1.53 -0.03 1.28 -2.23 0.00 0.00 178.31 178.87 1b5m n LEU 36 N -3.60 -0.04 0.20 0.59 4.77 -1.22 0.19 117.00 117.89 1b5m n LEU 36 Ca -0.18 0.15 0.06 0.00 -0.03 0.00 0.00 56.01 56.01 1b5m n LEU 36 Cb 1.08 -0.04 0.42 0.00 -2.33 0.00 0.00 43.42 42.55 1b5m n LEU 36 CO 0.55 -0.14 0.75 0.28 -1.33 0.00 0.00 177.39 177.50 1b5m h SER 37 N 0.00 0.00 0.38 -1.43 0.02 -1.88 -3.10 113.55 107.54 1b5m h SER 37 Ca 0.04 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.67 1b5m h SER 37 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1b5m h SER 37 CO -0.09 0.33 -1.69 -0.33 -1.14 0.00 0.00 176.83 173.90 1b5m h GLU 38 N 0.00 0.19 -5.74 3.45 3.07 0.19 -3.46 114.58 112.28 1b5m h GLU 38 Ca -0.00 -0.33 -0.59 0.00 -0.50 0.00 0.00 59.36 57.94 1b5m h GLU 38 Cb 0.69 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1b5m h GLU 38 CO 0.04 1.00 1.53 1.58 -1.40 0.00 0.00 179.01 181.76 1b5m n HIS 39 N -3.37 1.42 -0.36 4.33 -0.00 -0.49 -4.85 115.22 111.90 1b5m n HIS 39 Ca -0.21 0.23 0.02 0.00 0.46 0.00 0.00 57.72 58.22 1b5m n HIS 39 Cb 1.05 -2.55 0.16 0.00 -0.12 0.00 0.00 29.99 28.53 1b5m n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1b5m h PRO 40 N 14.25 1.14 -0.45 1.57 0.11 -1.89 -0.91 132.00 145.80 1b5m h PRO 40 Ca -0.24 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1b5m h PRO 40 Cb 1.30 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1b5m h PRO 40 CO 1.11 0.75 0.00 0.41 -0.21 0.00 0.00 178.00 180.06 1b5m n GLY 41 N -1.36 0.30 0.00 -0.55 0.00 -1.26 -4.98 105.19 97.35 1b5m n GLY 41 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1b5m n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b5m n GLY 42 N 0.37 3.20 0.12 -0.02 0.00 -0.35 -4.70 105.19 103.81 1b5m n GLY 42 Ca 0.02 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1b5m n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b5m n GLU 43 N -0.63 0.70 0.18 1.61 4.71 -1.26 -4.41 120.64 121.54 1b5m n GLU 43 Ca 0.00 0.20 0.10 0.00 -0.01 0.00 0.00 57.16 57.45 1b5m n GLU 43 Cb 0.00 -1.64 0.11 0.00 -1.01 0.00 0.00 31.44 28.89 1b5m n GLU 43 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1b5m h GLU 44 N 0.03 0.00 -0.24 3.49 3.07 -1.92 -3.16 114.58 115.85 1b5m h GLU 44 Ca -0.47 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.20 1b5m h GLU 44 Cb 2.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.93 1b5m h GLU 44 CO 0.03 0.09 -0.62 -0.24 -1.40 0.00 0.00 179.01 176.87 1b5m h VAL 45 N 0.00 1.28 0.02 3.13 3.04 -1.84 -1.52 116.25 120.36 1b5m h VAL 45 Ca -0.01 -1.80 -0.00 0.00 -1.01 0.00 0.00 66.70 63.88 1b5m h VAL 45 Cb 1.09 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 1b5m h VAL 45 CO 0.01 0.58 -0.01 -0.07 -1.01 0.00 0.00 177.57 177.08 1b5m h LEU 46 N 0.61 -0.02 -2.10 3.16 3.38 -1.80 -2.87 115.31 115.67 1b5m h LEU 46 Ca -0.01 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 1b5m h LEU 46 Cb 1.23 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1b5m h LEU 46 CO 0.13 0.57 -0.07 -0.07 0.09 0.00 0.00 178.44 179.09 1b5m h LEU 47 N -0.63 0.00 -1.52 1.67 3.38 -1.64 1.97 115.31 118.55 1b5m h LEU 47 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b5m h LEU 47 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1b5m h LEU 47 CO 0.00 0.07 0.00 -0.33 0.09 0.00 0.00 178.44 178.28 1b5m h GLU 48 N 0.00 0.00 -0.14 1.13 5.08 -1.04 -3.13 114.58 116.48 1b5m h GLU 48 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1b5m h GLU 48 Cb 0.18 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.11 1b5m h GLU 48 CO 0.01 0.00 -0.93 1.04 -1.00 0.00 0.00 179.01 178.13 1b5m n GLN 49 N -2.55 0.91 -1.74 2.33 6.02 0.66 -5.04 117.38 117.97 1b5m n GLN 49 Ca -0.00 -2.71 -0.41 0.00 -0.01 0.00 0.00 57.00 53.87 1b5m n GLN 49 Cb 0.15 -0.79 0.01 0.00 1.02 0.00 0.00 30.24 30.62 1b5m n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1b5m n ALA 50 N -0.12 1.80 0.00 -1.58 0.00 -0.79 -0.32 120.51 119.50 1b5m n ALA 50 Ca 0.11 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1b5m n ALA 50 Cb 0.98 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1b5m n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b5m n GLY 51 N 0.64 2.60 3.84 0.00 0.00 0.01 -4.61 105.19 107.67 1b5m n GLY 51 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1b5m n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b5m s ALA 52 N -0.72 2.42 -0.75 4.61 0.00 0.56 -4.29 121.76 123.59 1b5m s ALA 52 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.38 1b5m s ALA 52 Cb 0.00 -3.03 0.17 0.00 0.00 0.00 0.00 23.12 20.25 1b5m s ALA 52 CO 0.00 -1.67 0.76 0.34 0.00 0.00 0.00 175.76 175.19 1b5m s ASP 53 N -4.22 6.53 0.00 0.00 -1.08 -1.26 -1.02 116.67 115.62 1b5m s ASP 53 Ca 0.61 -2.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.45 1b5m s ASP 53 Cb -0.13 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1b5m s ASP 53 CO 0.52 -0.81 0.83 0.00 0.52 0.00 0.00 175.17 176.24 1b5m n ALA 54 N 5.06 2.43 -0.07 3.66 0.00 -0.14 -4.33 120.51 127.12 1b5m n ALA 54 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 1b5m n ALA 54 Cb 0.45 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 1b5m n ALA 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b5m n THR 55 N -0.38 -0.11 -0.27 0.00 -1.04 -1.14 -0.53 114.28 110.81 1b5m n THR 55 Ca 0.00 1.61 0.08 0.00 -2.04 0.00 0.00 64.05 63.70 1b5m n THR 55 Cb 0.05 -2.10 0.22 0.00 -1.82 0.00 0.00 70.33 66.68 1b5m n THR 55 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1b5m h GLU 56 N 0.00 0.32 -0.31 -2.82 3.07 -1.93 -1.18 114.58 111.73 1b5m h GLU 56 Ca 0.03 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1b5m h GLU 56 Cb 0.07 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1b5m h GLU 56 CO -0.15 0.21 0.13 0.66 -1.40 0.00 0.00 179.01 178.45 1b5m h SER 57 N 0.33 0.42 0.37 1.42 4.64 -1.08 -1.98 113.55 117.67 1b5m h SER 57 Ca 0.46 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.54 1b5m h SER 57 Cb 0.81 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1b5m h SER 57 CO -0.51 0.47 -0.36 0.15 -0.87 0.00 0.00 176.83 175.71 1b5m h PHE 58 N 0.35 0.00 0.00 4.77 3.04 -0.25 -2.03 116.94 122.82 1b5m h PHE 58 Ca 0.10 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.93 1b5m h PHE 58 Cb 0.18 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.67 1b5m h PHE 58 CO -0.01 0.36 -0.58 0.93 -2.02 0.00 0.00 178.31 176.99 1b5m h GLU 59 N 0.00 0.00 0.00 1.11 4.39 -1.13 -3.16 114.58 115.79 1b5m h GLU 59 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1b5m h GLU 59 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1b5m h GLU 59 CO 0.05 0.56 0.00 -0.25 -1.16 0.00 0.00 179.01 178.21 1b5m n ASP 60 N -3.24 0.00 -0.04 1.42 8.00 -0.76 -2.62 116.55 119.32 1b5m n ASP 60 Ca 0.02 -0.82 0.03 0.00 0.71 0.00 0.00 54.79 54.73 1b5m n ASP 60 Cb 0.76 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.81 1b5m n ASP 60 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1b5m n VAL 61 N -1.04 0.00 -2.29 2.53 0.31 -1.16 -5.08 118.33 111.60 1b5m n VAL 61 Ca 0.21 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1b5m n VAL 61 Cb 0.12 1.02 0.00 0.00 -0.91 0.00 0.00 33.84 34.07 1b5m n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b5m n GLY 62 N 1.02 -5.74 3.17 2.92 0.00 -1.08 -5.00 105.19 100.48 1b5m n GLY 62 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1b5m n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b5m s HIS 63 N -0.58 1.59 1.32 1.61 3.76 -1.25 -5.03 115.29 116.71 1b5m s HIS 63 Ca 0.00 -0.30 -0.22 0.00 -0.15 0.00 0.00 55.06 54.39 1b5m s HIS 63 Cb 0.00 -1.02 0.33 0.00 1.11 0.00 0.00 32.58 33.00 1b5m s HIS 63 CO 0.00 -0.02 1.05 -1.54 -0.85 0.00 0.00 174.74 173.38 1b5m s SER 64 N -0.47 -0.08 0.22 1.40 1.04 -1.26 -4.92 113.70 109.63 1b5m s SER 64 Ca 0.07 0.58 0.12 0.00 0.48 0.00 0.00 55.95 57.19 1b5m s SER 64 Cb -0.07 -0.76 -0.02 0.00 0.10 0.00 0.00 66.02 65.28 1b5m s SER 64 CO -0.01 -4.73 1.39 -0.65 0.98 0.00 0.00 173.24 170.22 1b5m h PRO 65 N -3.00 0.00 -0.65 4.02 0.10 -2.01 -2.95 132.00 127.52 1b5m h PRO 65 Ca -0.42 0.00 -0.07 0.00 0.10 0.00 0.00 66.00 65.61 1b5m h PRO 65 Cb 1.30 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 32.37 1b5m h PRO 65 CO 0.27 0.70 0.13 -0.44 0.10 0.00 0.00 178.00 178.75 1b5m h ASP 66 N 0.00 1.00 0.77 -2.05 5.19 -1.99 0.24 116.42 119.58 1b5m h ASP 66 Ca -0.01 -0.22 -0.07 0.00 -0.62 0.00 0.00 57.03 56.12 1b5m h ASP 66 Cb 1.52 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 1b5m h ASP 66 CO 0.09 0.98 -0.32 0.00 -3.12 0.00 0.00 179.24 176.88 1b5m h ALA 67 N 1.14 1.06 -0.22 3.45 0.00 -1.92 -2.20 119.26 120.57 1b5m h ALA 67 Ca 0.20 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1b5m h ALA 67 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1b5m h ALA 67 CO 0.01 0.39 -0.63 0.00 0.00 0.00 0.00 179.25 179.02 1b5m h ARG 68 N 0.00 0.78 -0.13 0.00 3.08 -1.16 -2.03 114.38 114.92 1b5m h ARG 68 Ca -0.00 -0.54 -0.11 0.00 0.07 0.00 0.00 59.98 59.40 1b5m h ARG 68 Cb 0.79 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1b5m h ARG 68 CO 0.04 1.17 -0.40 0.93 -1.07 0.00 0.00 179.97 180.64 1b5m h GLU 69 N 0.58 0.29 0.00 0.04 5.08 -0.79 -2.51 114.58 117.26 1b5m h GLU 69 Ca -0.01 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1b5m h GLU 69 Cb 1.23 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1b5m h GLU 69 CO 0.13 0.65 -0.34 0.52 -1.00 0.00 0.00 179.01 178.97 1b5m h MET 70 N 0.24 0.00 -0.62 2.33 2.86 -1.11 -2.03 114.93 116.60 1b5m h MET 70 Ca 0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1b5m h MET 70 Cb 0.82 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 1b5m h MET 70 CO 0.06 0.34 0.38 1.25 1.06 0.00 0.00 176.91 180.01 1b5m h LEU 71 N 0.00 0.73 -2.64 1.22 5.85 -0.91 -2.22 115.31 117.35 1b5m h LEU 71 Ca -0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1b5m h LEU 71 Cb 0.69 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1b5m h LEU 71 CO 0.04 0.56 0.09 0.11 -0.34 0.00 0.00 178.44 178.91 1b5m h LYS 72 N 0.85 0.00 -0.01 1.25 1.79 -1.41 -1.06 116.57 117.98 1b5m h LYS 72 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1b5m h LYS 72 Cb -0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1b5m h LYS 72 CO -0.04 0.00 -0.02 1.04 -1.08 0.00 0.00 179.45 179.35 1b5m n GLN 73 N -3.21 1.63 -0.05 3.15 3.00 -0.83 -3.82 117.38 117.25 1b5m n GLN 73 Ca -0.02 -0.96 0.04 0.00 -0.01 0.00 0.00 57.00 56.05 1b5m n GLN 73 Cb 0.17 -1.48 0.06 0.00 0.00 0.00 0.00 30.24 28.99 1b5m n GLN 73 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1b5m n TYR 74 N 0.16 0.00 -2.36 1.08 4.01 -0.41 -5.04 117.16 114.60 1b5m n TYR 74 Ca 0.18 -0.68 -0.41 0.00 -0.16 0.00 0.00 57.90 56.83 1b5m n TYR 74 Cb 0.36 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 1b5m n TYR 74 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1b5m s TYR 75 N -1.74 3.41 0.00 -0.72 5.04 -1.21 -0.66 117.35 121.47 1b5m s TYR 75 Ca 0.14 1.36 0.00 0.00 -2.44 0.00 0.00 57.07 56.13 1b5m s TYR 75 Cb 0.12 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.98 1b5m s TYR 75 CO 0.01 -1.33 0.00 0.44 -1.34 0.00 0.00 175.55 173.33 1b5m n ILE 76 N 2.91 0.00 -3.96 3.14 -5.35 -0.31 -4.87 119.36 110.92 1b5m n ILE 76 Ca 0.06 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1b5m n ILE 76 Cb 0.45 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 1b5m n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b5m n GLY 77 N 1.31 -1.38 3.51 3.28 0.00 -1.16 -4.81 105.19 105.93 1b5m n GLY 77 Ca 0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 1b5m n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b5m s ASP 78 N -4.00 3.84 0.49 1.61 1.01 -1.01 0.16 116.67 118.77 1b5m s ASP 78 Ca 0.00 -0.91 -0.22 0.00 0.71 0.00 0.00 52.55 52.13 1b5m s ASP 78 Cb 0.00 -0.44 -0.06 0.00 1.01 0.00 0.00 42.92 43.42 1b5m s ASP 78 CO 0.00 0.04 1.20 -0.69 0.21 0.00 0.00 175.17 175.92 1b5m s VAL 79 N -2.39 2.91 0.16 -1.27 1.01 -1.02 -1.52 120.40 118.26 1b5m s VAL 79 Ca 0.30 0.66 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 1b5m s VAL 79 Cb -0.06 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 1b5m s VAL 79 CO 0.16 -0.03 1.62 -2.28 0.00 0.00 0.00 175.10 174.57 1b5m s HIS 80 N -1.54 2.90 0.28 5.22 2.46 0.96 -4.73 115.29 120.83 1b5m s HIS 80 Ca 0.67 0.50 -0.00 0.00 0.47 0.00 0.00 55.06 56.70 1b5m s HIS 80 Cb -0.30 -3.98 0.64 0.00 -0.13 0.00 0.00 32.58 28.80 1b5m s HIS 80 CO 0.36 -3.72 1.65 -1.00 -2.47 0.00 0.00 174.74 169.56 1b5m h PRO 81 N 7.11 0.21 0.00 2.88 0.13 -1.92 1.84 132.00 142.25 1b5m h PRO 81 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1b5m h PRO 81 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1b5m h PRO 81 CO 0.93 0.14 0.00 0.09 -0.23 0.00 0.00 178.00 178.92 1b5m n ASN 82 N -5.22 0.21 -0.04 1.44 3.02 -1.26 -1.06 115.26 112.35 1b5m n ASN 82 Ca 0.19 0.57 0.01 0.00 -0.03 0.00 0.00 54.58 55.33 1b5m n ASN 82 Cb 0.62 -0.61 -0.16 0.00 -0.61 0.00 0.00 39.78 39.02 1b5m n ASN 82 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1b5m n ASP 83 N -1.76 0.07 -4.59 6.41 9.92 0.60 -4.94 116.55 122.26 1b5m n ASP 83 Ca 0.01 0.03 -0.48 0.00 -0.53 0.00 0.00 54.79 53.82 1b5m n ASP 83 Cb 0.10 1.43 -0.04 0.00 -0.64 0.00 0.00 41.12 41.97 1b5m n ASP 83 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1b5m n LEU 84 N -2.51 1.77 -4.25 0.64 4.77 0.27 -4.92 117.00 112.77 1b5m n LEU 84 Ca -0.16 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.53 1b5m n LEU 84 Cb 0.83 -1.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 1b5m n LEU 84 CO 0.44 -1.18 0.15 -1.59 -1.33 0.00 0.00 177.39 173.89 1b5m s LYS 85 N -0.38 2.92 0.00 3.23 -2.85 -1.26 -5.02 119.74 116.39 1b5m s LYS 85 Ca 0.72 -2.09 0.08 0.00 -1.00 0.00 0.00 55.97 53.68 1b5m s LYS 85 Cb -0.82 -4.11 0.06 0.00 -2.06 0.00 0.00 37.83 30.90 1b5m s LYS 85 CO 0.52 -1.25 0.74 -2.30 0.10 0.00 0.00 175.35 173.16