#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m63 s ASN 4 N 0.00 3.39 -0.02 -1.43 3.04 -1.26 -3.93 114.94 114.73 3m63 s ASN 4 Ca 0.00 -2.32 0.05 0.00 0.04 0.00 0.00 52.86 50.63 3m63 s ASN 4 Cb 0.00 -0.73 -0.01 0.00 -1.54 0.00 0.00 41.25 38.97 3m63 s ASN 4 CO 0.00 -0.30 -0.18 -0.63 -3.04 0.00 0.00 177.10 172.95 3m63 s ILE 5 N 0.81 1.42 -0.19 -5.21 1.01 -1.12 -0.06 121.20 117.86 3m63 s ILE 5 Ca 0.17 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 3m63 s ILE 5 Cb -0.23 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 3m63 s ILE 5 CO -0.02 0.41 -0.03 -1.00 0.00 0.00 0.00 174.94 174.29 3m63 s HIS 6 N -0.26 2.99 -1.11 3.97 3.76 -0.04 -1.77 115.29 122.83 3m63 s HIS 6 Ca 0.03 -0.59 -0.07 0.00 -0.15 0.00 0.00 55.06 54.28 3m63 s HIS 6 Cb -0.09 -2.05 0.29 0.00 1.11 0.00 0.00 32.58 31.85 3m63 s HIS 6 CO 0.00 -0.30 1.32 -0.89 -0.85 0.00 0.00 174.74 174.02 3m63 n ILE 7 N 4.23 4.94 -0.29 0.60 2.08 -1.25 -1.33 119.36 128.33 3m63 n ILE 7 Ca -0.18 -5.63 -0.30 0.00 0.56 0.00 0.00 62.75 57.21 3m63 n ILE 7 Cb 0.52 -2.34 0.29 0.00 -0.75 0.00 0.00 39.64 37.36 3m63 n ILE 7 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3m63 s LYS 8 N -1.94 -3.00 0.00 0.38 -0.14 -0.81 -3.96 119.74 110.27 3m63 s LYS 8 Ca 0.31 0.23 0.00 0.00 -1.36 0.00 0.00 55.97 55.16 3m63 s LYS 8 Cb -0.02 -1.36 0.00 0.00 -1.68 0.00 0.00 37.83 34.77 3m63 s LYS 8 CO 0.01 -4.94 0.00 0.45 -0.76 0.00 0.00 175.35 170.11 3m63 n SER 9 N -5.70 0.00 0.00 2.83 2.88 -1.21 -3.32 113.62 109.10 3m63 n SER 9 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 3m63 n SER 9 Cb 0.59 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 3m63 n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3m63 n GLY 10 N -0.68 1.07 0.00 0.46 0.00 -1.26 -4.90 105.19 99.88 3m63 n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3m63 n GLY 10 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3m63 n GLN 11 N 0.00 4.59 -4.37 1.61 7.27 -1.26 -5.14 117.38 120.09 3m63 n GLN 11 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.82 3m63 n GLN 11 Cb 0.00 -0.53 -0.09 0.00 2.41 0.00 0.00 30.24 32.04 3m63 n GLN 11 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3m63 s ASP 12 N -0.31 4.12 -0.25 1.69 1.01 -1.26 -5.15 116.67 116.52 3m63 s ASP 12 Ca 0.00 -1.04 -0.19 0.00 0.71 0.00 0.00 52.55 52.03 3m63 s ASP 12 Cb 0.00 -0.50 0.07 0.00 1.01 0.00 0.00 42.92 43.50 3m63 s ASP 12 CO 0.00 -0.26 0.65 -0.75 0.21 0.00 0.00 175.17 175.02 3m63 s LYS 13 N -3.71 0.71 -0.46 8.23 2.20 -1.26 -3.35 119.74 122.09 3m63 s LYS 13 Ca 0.35 1.03 0.03 0.00 -0.36 0.00 0.00 55.97 57.02 3m63 s LYS 13 Cb 0.01 0.25 0.16 0.00 -1.51 0.00 0.00 37.83 36.73 3m63 s LYS 13 CO 0.19 -0.12 0.33 -1.58 -0.36 0.00 0.00 175.35 173.81 3m63 s TRP 14 N 0.95 1.69 0.42 4.03 0.51 -1.25 -4.95 118.94 120.33 3m63 s TRP 14 Ca -0.05 -2.43 -0.22 0.00 -2.12 0.00 0.00 56.10 51.29 3m63 s TRP 14 Cb -0.05 -1.47 -0.14 0.00 -0.81 0.00 0.00 33.47 31.01 3m63 s TRP 14 CO -0.09 -0.77 0.39 -1.91 -0.51 0.00 0.00 176.95 174.07 3m63 n GLU 15 N 3.03 0.36 -4.07 4.98 2.13 -1.26 -4.31 120.64 121.50 3m63 n GLU 15 Ca 0.20 0.13 -0.13 0.00 0.66 0.00 0.00 57.16 58.02 3m63 n GLU 15 Cb 0.41 -1.33 -0.12 0.00 0.27 0.00 0.00 31.44 30.66 3m63 n GLU 15 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3m63 s VAL 16 N -1.54 0.43 -0.17 6.31 -7.23 -0.73 -5.00 120.40 112.48 3m63 s VAL 16 Ca 0.62 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.99 3m63 s VAL 16 Cb -0.62 -0.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 3m63 s VAL 16 CO 0.59 -0.24 -0.08 0.20 -0.31 0.00 0.00 175.10 175.26 3m63 s ASN 17 N -1.10 4.23 -0.11 4.85 0.01 -1.26 -2.81 114.94 118.76 3m63 s ASN 17 Ca -0.07 -0.33 -0.09 0.00 -0.71 0.00 0.00 52.86 51.67 3m63 s ASN 17 Cb -0.07 -1.69 0.04 0.00 0.41 0.00 0.00 41.25 39.93 3m63 s ASN 17 CO 0.00 0.09 0.29 -0.69 -1.51 0.00 0.00 177.10 175.28 3m63 s VAL 18 N 0.82 -0.01 0.24 1.60 1.01 -1.25 -4.76 120.40 118.05 3m63 s VAL 18 Ca -0.03 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 3m63 s VAL 18 Cb -0.15 -0.42 -0.13 0.00 0.00 0.00 0.00 36.38 35.69 3m63 s VAL 18 CO 0.01 0.02 1.53 0.00 0.00 0.00 0.00 175.10 176.66 3m63 n ALA 19 N 3.37 1.84 -0.12 5.51 0.00 -1.26 0.26 120.51 130.11 3m63 n ALA 19 Ca -0.17 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.62 3m63 n ALA 19 Cb 0.57 -2.38 0.03 0.00 0.00 0.00 0.00 19.45 17.66 3m63 n ALA 19 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3m63 h PRO 20 N 4.92 0.21 0.00 0.00 0.13 -1.98 -2.57 132.00 132.71 3m63 h PRO 20 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3m63 h PRO 20 Cb 1.25 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3m63 h PRO 20 CO 0.81 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 177.87 3m63 n GLU 21 N -5.08 0.07 -2.11 0.86 0.00 -1.26 -0.76 120.64 112.36 3m63 n GLU 21 Ca 0.02 0.32 -0.39 0.00 0.00 0.00 0.00 57.16 57.12 3m63 n GLU 21 Cb 0.17 -1.64 -0.00 0.00 0.00 0.00 0.00 31.44 29.96 3m63 n GLU 21 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3m63 s SER 22 N -3.47 6.25 1.18 -1.84 0.15 -0.97 -4.78 113.70 110.22 3m63 s SER 22 Ca 0.06 2.54 -0.18 0.00 0.70 0.00 0.00 55.95 59.07 3m63 s SER 22 Cb 0.09 -2.63 0.28 0.00 -1.71 0.00 0.00 66.02 62.05 3m63 s SER 22 CO 0.31 -0.88 1.08 0.42 1.20 0.00 0.00 173.24 175.37 3m63 s THR 23 N -1.34 1.67 -0.28 6.45 -4.23 -1.26 -0.68 115.64 115.97 3m63 s THR 23 Ca 0.59 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.29 3m63 s THR 23 Cb -0.35 -2.42 0.16 0.00 1.34 0.00 0.00 72.50 71.23 3m63 s THR 23 CO 0.44 0.00 1.45 0.58 -0.54 0.00 0.00 174.62 176.55 3m63 h VAL 24 N -2.54 0.41 -0.07 2.29 2.07 0.05 -3.17 116.25 115.30 3m63 h VAL 24 Ca -0.48 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.41 3m63 h VAL 24 Cb 1.31 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 3m63 h VAL 24 CO 0.40 0.24 -0.09 0.25 0.02 0.00 0.00 177.57 178.38 3m63 h LEU 25 N 0.00 0.09 -0.37 2.57 7.12 -0.80 0.14 115.31 124.06 3m63 h LEU 25 Ca -0.01 -0.01 -0.19 0.00 0.13 0.00 0.00 57.88 57.80 3m63 h LEU 25 Cb 1.21 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.31 3m63 h LEU 25 CO 0.03 0.19 -0.70 1.56 -0.13 0.00 0.00 178.44 179.39 3m63 h GLN 26 N 0.09 0.53 0.00 1.25 1.08 -1.83 -3.02 115.11 113.22 3m63 h GLN 26 Ca 0.02 -0.41 -0.07 0.00 -1.45 0.00 0.00 58.65 56.74 3m63 h GLN 26 Cb 0.22 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3m63 h GLN 26 CO 0.01 1.04 -0.35 0.35 -0.95 0.00 0.00 178.83 178.93 3m63 h PHE 27 N 0.37 0.00 0.23 2.96 3.57 -1.19 0.54 116.94 123.42 3m63 h PHE 27 Ca -0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3m63 h PHE 27 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3m63 h PHE 27 CO 0.05 0.35 -0.11 0.87 -2.23 0.00 0.00 178.31 177.24 3m63 h LYS 28 N 0.00 -0.30 0.00 1.11 1.57 -0.82 -3.30 116.57 114.84 3m63 h LYS 28 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3m63 h LYS 28 Cb 0.70 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3m63 h LYS 28 CO 0.05 0.07 0.00 0.39 -0.57 0.00 0.00 179.45 179.39 3m63 n GLU 29 N -5.03 0.11 0.00 3.15 1.02 -0.99 -1.04 120.64 117.87 3m63 n GLU 29 Ca -0.09 0.13 0.14 0.00 -0.02 0.00 0.00 57.16 57.32 3m63 n GLU 29 Cb 0.26 -1.50 0.67 0.00 -0.02 0.00 0.00 31.44 30.85 3m63 n GLU 29 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m63 n ALA 30 N -1.42 2.38 -0.04 0.62 0.00 0.19 -4.06 120.51 118.18 3m63 n ALA 30 Ca 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 3m63 n ALA 30 Cb 0.21 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 3m63 n ALA 30 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3m63 n ILE 31 N -1.41 0.41 -0.30 0.00 5.41 -0.34 -4.49 119.36 118.64 3m63 n ILE 31 Ca 0.10 -0.13 0.02 0.00 1.00 0.00 0.00 62.75 63.73 3m63 n ILE 31 Cb 0.30 -1.13 0.07 0.00 -0.71 0.00 0.00 39.64 38.17 3m63 n ILE 31 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3m63 n ASN 32 N -2.99 -0.41 -1.58 4.38 4.05 -0.21 0.30 115.26 118.80 3m63 n ASN 32 Ca -0.14 1.37 0.08 0.00 0.45 0.00 0.00 54.58 56.34 3m63 n ASN 32 Cb 0.62 -0.36 0.36 0.00 1.23 0.00 0.00 39.78 41.63 3m63 n ASN 32 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 3m63 n LYS 33 N -5.22 4.23 0.00 1.20 4.81 -1.26 -3.58 118.16 118.33 3m63 n LYS 33 Ca 0.10 -3.03 0.00 0.00 -0.87 0.00 0.00 58.31 54.51 3m63 n LYS 33 Cb 0.35 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.31 3m63 n LYS 33 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3m63 n ALA 34 N 0.43 1.51 0.00 3.14 0.00 0.15 -4.92 120.51 120.81 3m63 n ALA 34 Ca 0.26 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3m63 n ALA 34 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 3m63 n ALA 34 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3m63 n ASN 35 N -0.05 0.58 0.00 0.00 6.94 0.39 -5.00 115.26 118.12 3m63 n ASN 35 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3m63 n ASN 35 Cb 0.15 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3m63 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3m63 n GLY 36 N 1.83 0.38 3.73 4.83 0.00 -1.23 -5.10 105.19 109.62 3m63 n GLY 36 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3m63 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m63 s ILE 37 N -0.61 4.87 1.42 -0.61 1.01 -1.25 -5.07 121.20 120.95 3m63 s ILE 37 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.41 3m63 s ILE 37 Cb 0.00 -3.12 0.37 0.00 0.01 0.00 0.00 42.46 39.71 3m63 s ILE 37 CO 0.00 0.56 0.92 -2.84 0.00 0.00 0.00 174.94 173.58 3m63 s PRO 38 N -0.49 -2.89 0.06 2.79 0.02 -1.26 -4.23 135.00 129.01 3m63 s PRO 38 Ca 0.10 0.26 -0.25 0.00 0.02 0.00 0.00 61.00 61.13 3m63 s PRO 38 Cb -0.12 -1.37 -0.12 0.00 0.02 0.00 0.00 34.50 32.91 3m63 s PRO 38 CO 0.02 -4.88 1.39 0.28 -0.33 0.00 0.00 177.00 173.48 3m63 h VAL 39 N -3.42 0.00 -0.14 3.83 2.07 -1.96 -3.26 116.25 113.37 3m63 h VAL 39 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3m63 h VAL 39 Cb 1.35 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3m63 h VAL 39 CO 0.31 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.90 3m63 n ALA 40 N -2.63 2.51 0.30 1.67 0.00 -1.26 -3.86 120.51 117.23 3m63 n ALA 40 Ca -0.09 -0.59 0.05 0.00 0.00 0.00 0.00 53.44 52.81 3m63 n ALA 40 Cb 0.33 -1.05 0.20 0.00 0.00 0.00 0.00 19.45 18.92 3m63 n ALA 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m63 n ASN 41 N 0.57 2.95 -4.67 0.00 4.13 -1.23 -4.88 115.26 112.13 3m63 n ASN 41 Ca 0.17 -2.31 -0.35 0.00 1.68 0.00 0.00 54.58 53.78 3m63 n ASN 41 Cb 0.41 -0.47 -0.10 0.00 -1.54 0.00 0.00 39.78 38.08 3m63 n ASN 41 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3m63 s GLN 42 N -1.76 3.14 -0.08 3.52 -0.21 -1.25 -2.02 119.66 121.00 3m63 s GLN 42 Ca 0.27 -0.41 -0.03 0.00 0.02 0.00 0.00 55.36 55.22 3m63 s GLN 42 Cb 0.19 -2.85 0.04 0.00 1.00 0.00 0.00 33.01 31.39 3m63 s GLN 42 CO 0.12 0.63 0.15 1.03 -2.12 0.00 0.00 175.29 175.09 3m63 s ARG 43 N -0.67 0.02 -0.18 2.91 0.52 -1.11 -4.92 118.95 115.52 3m63 s ARG 43 Ca 0.11 0.53 -0.03 0.00 -0.52 0.00 0.00 55.73 55.82 3m63 s ARG 43 Cb -0.12 -0.30 -0.01 0.00 0.52 0.00 0.00 34.95 35.04 3m63 s ARG 43 CO 0.02 -0.30 -0.07 -0.51 0.02 0.00 0.00 175.30 174.46 3m63 s LEU 44 N 2.22 2.92 -0.12 2.53 1.43 -1.26 -0.49 118.68 125.91 3m63 s LEU 44 Ca 0.03 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3m63 s LEU 44 Cb -0.12 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.40 3m63 s LEU 44 CO -0.05 0.08 -0.20 -0.63 0.23 0.00 0.00 176.35 175.77 3m63 s ILE 45 N 0.90 1.87 -0.03 -0.59 1.01 -0.68 -0.48 121.20 123.21 3m63 s ILE 45 Ca -0.01 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3m63 s ILE 45 Cb -0.15 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.67 3m63 s ILE 45 CO 0.01 0.51 0.19 -0.47 0.00 0.00 0.00 174.94 175.18 3m63 s TYR 46 N 0.81 -0.09 -0.63 3.97 5.04 -0.60 -1.61 117.35 124.24 3m63 s TYR 46 Ca -0.08 0.17 -0.08 0.00 -2.44 0.00 0.00 57.07 54.63 3m63 s TYR 46 Cb -0.16 0.02 0.08 0.00 0.35 0.00 0.00 41.96 42.25 3m63 s TYR 46 CO -0.01 -0.24 0.20 0.45 -1.34 0.00 0.00 175.55 174.61 3m63 n SER 47 N 1.95 -1.17 0.00 4.32 2.88 -1.26 -0.45 113.62 119.88 3m63 n SER 47 Ca -0.19 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 3m63 n SER 47 Cb 0.57 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 3m63 n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3m63 n GLY 48 N -0.65 2.60 3.94 0.46 0.00 -1.26 -5.06 105.19 105.22 3m63 n GLY 48 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3m63 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m63 s LYS 49 N -0.83 3.37 -0.01 1.61 1.02 0.41 -5.11 119.74 120.19 3m63 s LYS 49 Ca 0.00 -0.76 -0.13 0.00 0.02 0.00 0.00 55.97 55.10 3m63 s LYS 49 Cb 0.00 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 3m63 s LYS 49 CO 0.00 0.45 0.36 0.42 -0.92 0.00 0.00 175.35 175.66 3m63 s ILE 50 N -1.94 5.11 1.02 2.17 1.01 -1.26 -1.56 121.20 125.75 3m63 s ILE 50 Ca 0.34 0.70 -0.16 0.00 0.00 0.00 0.00 60.65 61.52 3m63 s ILE 50 Cb -0.09 -3.66 0.21 0.00 0.01 0.00 0.00 42.46 38.93 3m63 s ILE 50 CO 0.28 0.56 1.22 -0.76 0.00 0.00 0.00 174.94 176.24 3m63 s LEU 51 N -1.16 1.97 0.00 2.97 1.43 0.37 -4.97 118.68 119.29 3m63 s LEU 51 Ca 0.23 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 3m63 s LEU 51 Cb -0.16 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.55 3m63 s LEU 51 CO 0.12 -3.11 -0.02 -0.54 0.23 0.00 0.00 176.35 173.03 3m63 s LYS 52 N -5.64 0.19 0.33 1.70 -0.14 -1.26 -4.90 119.74 110.02 3m63 s LYS 52 Ca 0.71 -0.16 0.08 0.00 -1.36 0.00 0.00 55.97 55.24 3m63 s LYS 52 Cb -0.08 -0.13 0.80 0.00 -1.68 0.00 0.00 37.83 36.75 3m63 s LYS 52 CO 0.54 0.03 1.82 -0.44 -0.76 0.00 0.00 175.35 176.53 3m63 h ASP 53 N 5.86 0.70 1.36 2.83 5.19 -1.99 -2.92 116.42 127.47 3m63 h ASP 53 Ca -0.27 0.07 -0.13 0.00 -0.62 0.00 0.00 57.03 56.08 3m63 h ASP 53 Cb 1.20 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 3m63 h ASP 53 CO 0.49 0.29 -0.64 -2.24 -3.12 0.00 0.00 179.24 174.02 3m63 h ASP 54 N 0.71 0.00 -3.62 6.45 3.04 -1.96 0.20 116.42 121.24 3m63 h ASP 54 Ca 0.53 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 53.81 3m63 h ASP 54 Cb 0.88 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.14 3m63 h ASP 54 CO -0.29 0.62 0.11 -1.10 -2.04 0.00 0.00 179.24 176.54 3m63 s GLN 55 N -2.90 4.19 0.68 4.15 -1.52 -1.10 -4.73 119.66 118.43 3m63 s GLN 55 Ca 0.03 0.83 -0.12 0.00 -1.95 0.00 0.00 55.36 54.15 3m63 s GLN 55 Cb 0.08 -2.76 0.00 0.00 -0.22 0.00 0.00 33.01 30.11 3m63 s GLN 55 CO 0.76 0.33 1.06 0.95 -0.25 0.00 0.00 175.29 178.14 3m63 s THR 56 N -1.65 3.94 0.38 -0.19 -4.23 -1.26 0.50 115.64 113.13 3m63 s THR 56 Ca 0.46 0.69 0.14 0.00 -1.18 0.00 0.00 61.69 61.81 3m63 s THR 56 Cb -0.15 -3.37 0.13 0.00 1.34 0.00 0.00 72.50 70.45 3m63 s THR 56 CO 0.20 -0.76 1.87 0.58 -0.54 0.00 0.00 174.62 175.98 3m63 h VAL 57 N -0.47 1.18 0.00 2.29 2.07 -0.93 -2.50 116.25 117.89 3m63 h VAL 57 Ca -0.44 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 65.85 3m63 h VAL 57 Cb 1.21 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3m63 h VAL 57 CO 0.57 0.31 -0.72 -0.08 0.02 0.00 0.00 177.57 177.67 3m63 h GLU 58 N 0.00 0.00 0.00 1.57 4.22 -1.15 -3.12 114.58 116.10 3m63 h GLU 58 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3m63 h GLU 58 Cb 0.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3m63 h GLU 58 CO 0.04 0.51 -0.01 0.66 -2.18 0.00 0.00 179.01 178.04 3m63 h SER 59 N 0.00 0.00 0.16 1.04 4.64 -1.70 0.30 113.55 117.98 3m63 h SER 59 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3m63 h SER 59 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 3m63 h SER 59 CO 0.07 0.01 -0.52 -1.22 -0.87 0.00 0.00 176.83 174.29 3m63 n TYR 60 N -3.15 0.00 -3.37 4.77 4.01 -1.19 -4.97 117.16 113.26 3m63 n TYR 60 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 3m63 n TYR 60 Cb 0.15 -0.08 0.03 0.00 -0.31 0.00 0.00 39.34 39.13 3m63 n TYR 60 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3m63 n HIS 61 N -0.78 -2.45 -3.66 -0.72 8.25 0.10 -5.01 115.22 110.95 3m63 n HIS 61 Ca 0.08 0.85 -0.37 0.00 -0.26 0.00 0.00 57.72 58.02 3m63 n HIS 61 Cb 0.38 -3.76 -0.06 0.00 1.12 0.00 0.00 29.99 27.67 3m63 n HIS 61 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3m63 s ILE 62 N -3.22 5.21 0.45 1.59 1.01 -1.18 -5.05 121.20 120.01 3m63 s ILE 62 Ca 0.24 0.51 0.05 0.00 0.00 0.00 0.00 60.65 61.46 3m63 s ILE 62 Cb -0.06 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.83 3m63 s ILE 62 CO 0.80 0.53 0.62 -1.10 0.00 0.00 0.00 174.94 175.78 3m63 s GLN 63 N -1.26 2.81 0.10 2.79 -1.52 -1.26 -4.91 119.66 116.41 3m63 s GLN 63 Ca 0.23 -1.02 -0.30 0.00 -1.95 0.00 0.00 55.36 52.32 3m63 s GLN 63 Cb -0.14 -2.68 -0.06 0.00 -0.22 0.00 0.00 33.01 29.91 3m63 s GLN 63 CO 0.12 -0.34 0.97 0.34 -0.25 0.00 0.00 175.29 176.12 3m63 s ASP 64 N -4.33 7.48 -0.38 5.90 3.68 -1.26 -3.74 116.67 124.02 3m63 s ASP 64 Ca 0.54 1.79 -0.02 0.00 2.13 0.00 0.00 52.55 56.99 3m63 s ASP 64 Cb -0.10 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.78 3m63 s ASP 64 CO 0.35 -0.09 0.21 0.61 0.13 0.00 0.00 175.17 176.38 3m63 n GLY 65 N 2.30 0.45 3.36 2.66 0.00 0.91 -4.94 105.19 109.92 3m63 n GLY 65 Ca 0.03 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 3m63 n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m63 s HIS 66 N -2.84 1.96 -0.25 1.61 3.76 -1.19 -5.01 115.29 113.32 3m63 s HIS 66 Ca 0.11 -0.44 -0.06 0.00 -0.15 0.00 0.00 55.06 54.52 3m63 s HIS 66 Cb -0.05 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.66 3m63 s HIS 66 CO 0.13 0.39 0.03 -1.12 -0.85 0.00 0.00 174.74 173.32 3m63 s SER 67 N -2.72 4.83 -0.12 1.40 0.01 -1.26 -0.86 113.70 114.98 3m63 s SER 67 Ca 0.18 -0.40 -0.00 0.00 1.31 0.00 0.00 55.95 57.03 3m63 s SER 67 Cb -0.06 -1.84 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 3m63 s SER 67 CO 0.08 -0.07 -0.10 -0.69 0.41 0.00 0.00 173.24 172.87 3m63 s VAL 68 N 1.54 3.37 0.29 3.43 1.01 -0.44 -4.80 120.40 124.79 3m63 s VAL 68 Ca 0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3m63 s VAL 68 Cb -0.15 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 3m63 s VAL 68 CO 0.01 0.54 0.55 -1.00 0.00 0.00 0.00 175.10 175.20 3m63 s HIS 69 N 0.02 3.48 0.14 5.22 3.76 -0.64 -1.93 115.29 125.34 3m63 s HIS 69 Ca -0.02 0.63 0.06 0.00 -0.15 0.00 0.00 55.06 55.58 3m63 s HIS 69 Cb -0.14 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 3m63 s HIS 69 CO 0.04 0.17 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.79 3m63 s LEU 70 N -3.56 2.45 -0.04 0.89 2.96 -1.21 -1.69 118.68 118.48 3m63 s LEU 70 Ca 0.44 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3m63 s LEU 70 Cb -0.11 -0.55 0.02 0.00 0.50 0.00 0.00 46.19 46.06 3m63 s LEU 70 CO 0.30 -0.18 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.44 3m63 s VAL 71 N -2.48 0.41 0.04 1.68 1.01 0.36 -4.82 120.40 116.59 3m63 s VAL 71 Ca 0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 3m63 s VAL 71 Cb -0.03 -0.47 -0.08 0.00 0.00 0.00 0.00 36.38 35.80 3m63 s VAL 71 CO 0.03 0.21 1.72 -0.54 0.00 0.00 0.00 175.10 176.52 3m63 s LYS 72 N 1.13 4.18 -0.59 2.72 1.02 -1.26 -2.77 119.74 124.17 3m63 s LYS 72 Ca -0.08 2.36 -0.07 0.00 0.02 0.00 0.00 55.97 58.21 3m63 s LYS 72 Cb -0.14 -3.77 0.15 0.00 -0.52 0.00 0.00 37.83 33.55 3m63 s LYS 72 CO -0.01 -0.80 0.44 0.45 -0.92 0.00 0.00 175.35 174.50 3m63 s SER 73 N 2.95 5.64 0.00 2.83 0.15 -0.86 -5.00 113.70 119.41 3m63 s SER 73 Ca 0.77 -2.45 0.18 0.00 0.70 0.00 0.00 55.95 55.15 3m63 s SER 73 Cb -0.39 -1.96 1.06 0.00 -1.71 0.00 0.00 66.02 63.02 3m63 s SER 73 CO 0.33 -0.52 1.46 1.67 1.20 0.00 0.00 173.24 177.38