#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n27 n SER 2 N 0.00 -6.06 -1.05 1.61 2.88 -1.26 -5.08 113.62 104.67 1n27 n SER 2 Ca 0.00 0.71 0.07 0.00 -1.33 0.00 0.00 58.87 58.32 1n27 n SER 2 Cb 0.00 -1.99 -0.02 0.00 -0.75 0.00 0.00 64.21 61.45 1n27 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1n27 n SER 3 N -3.02 -6.24 -0.63 -3.46 2.88 -1.26 -5.02 113.62 96.86 1n27 n SER 3 Ca 0.00 0.56 0.02 0.00 -1.33 0.00 0.00 58.87 58.12 1n27 n SER 3 Cb 0.30 -1.60 -0.00 0.00 -0.75 0.00 0.00 64.21 62.15 1n27 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n27 n GLY 4 N -1.55 -1.50 3.77 0.46 0.00 -1.26 -4.86 105.19 100.25 1n27 n GLY 4 Ca 0.00 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.51 1n27 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n27 s SER 5 N -4.15 4.82 0.31 1.61 1.04 -1.26 -4.97 113.70 111.10 1n27 s SER 5 Ca 0.00 1.90 0.03 0.00 0.48 0.00 0.00 55.95 58.37 1n27 s SER 5 Cb 0.00 -2.54 0.52 0.00 0.10 0.00 0.00 66.02 64.11 1n27 s SER 5 CO 0.00 -1.83 1.82 0.28 0.98 0.00 0.00 173.24 174.49 1n27 h SER 6 N -0.55 0.50 -4.02 7.02 0.02 -2.03 -3.50 113.55 110.99 1n27 h SER 6 Ca -0.45 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1n27 h SER 6 Cb 1.24 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1n27 h SER 6 CO 0.53 0.63 0.00 0.61 -1.14 0.00 0.00 176.83 177.46 1n27 n GLY 7 N -0.69 -2.18 3.54 -3.77 0.00 -1.26 -4.80 105.19 96.02 1n27 n GLY 7 Ca 0.01 -1.49 -0.49 0.00 0.00 0.00 0.00 46.02 44.05 1n27 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n27 n GLU 8 N -0.38 1.49 -1.21 1.61 4.71 -1.26 -4.92 120.64 120.69 1n27 n GLU 8 Ca 0.00 0.45 -0.36 0.00 -0.01 0.00 0.00 57.16 57.25 1n27 n GLU 8 Cb 0.00 -2.66 0.08 0.00 -1.01 0.00 0.00 31.44 27.85 1n27 n GLU 8 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1n27 n TYR 9 N 9.44 -0.55 -3.54 -0.32 4.01 -1.26 -5.05 117.16 119.88 1n27 n TYR 9 Ca 0.34 0.35 -0.10 0.00 -0.16 0.00 0.00 57.90 58.32 1n27 n TYR 9 Cb 0.29 -1.93 -0.02 0.00 -0.31 0.00 0.00 39.34 37.36 1n27 n TYR 9 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1n27 s LYS 10 N -3.02 1.40 -0.27 -0.72 -2.85 -1.26 -5.07 119.74 107.95 1n27 s LYS 10 Ca 0.66 -0.60 -0.34 0.00 -1.00 0.00 0.00 55.97 54.68 1n27 s LYS 10 Cb -0.33 0.59 -0.11 0.00 -2.06 0.00 0.00 37.83 35.92 1n27 s LYS 10 CO 0.58 -0.62 2.10 0.00 0.10 0.00 0.00 175.35 177.51 1n27 n ALA 11 N -0.40 1.06 0.00 0.59 0.00 -1.26 -1.37 120.51 119.14 1n27 n ALA 11 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1n27 n ALA 11 Cb 0.63 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1n27 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n27 n GLY 12 N 5.83 2.29 3.74 0.00 0.00 -1.22 -4.98 105.19 110.85 1n27 n GLY 12 Ca 0.35 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1n27 n GLY 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n27 s ASP 13 N -0.23 7.05 0.26 1.61 -1.08 -0.47 -4.95 116.67 118.86 1n27 s ASP 13 Ca 0.00 2.25 -0.16 0.00 -0.52 0.00 0.00 52.55 54.13 1n27 s ASP 13 Cb 0.00 -2.61 -0.08 0.00 -1.46 0.00 0.00 42.92 38.77 1n27 s ASP 13 CO 0.00 -0.41 0.69 -0.76 0.52 0.00 0.00 175.17 175.21 1n27 s LEU 14 N -0.15 4.18 0.20 -1.34 1.43 -1.26 -1.90 118.68 119.84 1n27 s LEU 14 Ca 0.54 1.25 -0.09 0.00 -1.03 0.00 0.00 54.13 54.80 1n27 s LEU 14 Cb -0.33 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 1n27 s LEU 14 CO 0.37 -0.09 0.33 0.68 0.23 0.00 0.00 176.35 177.87 1n27 s VAL 15 N -1.78 0.03 0.06 -1.59 -7.23 -0.49 -2.36 120.40 107.04 1n27 s VAL 15 Ca 0.48 -1.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.20 1n27 s VAL 15 Cb -0.13 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 1n27 s VAL 15 CO 0.19 -0.13 0.00 -0.36 -0.31 0.00 0.00 175.10 174.49 1n27 s PHE 16 N -4.02 3.02 -0.09 2.82 0.08 -1.23 -0.69 117.98 117.88 1n27 s PHE 16 Ca 0.23 0.01 0.02 0.00 0.12 0.00 0.00 56.93 57.31 1n27 s PHE 16 Cb 0.02 -1.58 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 1n27 s PHE 16 CO 0.05 0.47 -0.14 0.00 -0.10 0.00 0.00 175.22 175.51 1n27 s ALA 17 N -1.24 1.47 -0.50 5.36 0.00 0.23 -2.33 121.76 124.75 1n27 s ALA 17 Ca 0.24 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1n27 s ALA 17 Cb -0.12 -0.70 0.07 0.00 0.00 0.00 0.00 23.12 22.37 1n27 s ALA 17 CO 0.16 0.03 0.56 0.21 0.00 0.00 0.00 175.76 176.72 1n27 s LYS 18 N 0.82 3.07 0.67 0.00 2.47 -0.40 -1.01 119.74 125.35 1n27 s LYS 18 Ca -0.11 -1.08 -0.11 0.00 -1.56 0.00 0.00 55.97 53.11 1n27 s LYS 18 Cb -0.15 -4.12 -0.01 0.00 -1.46 0.00 0.00 37.83 32.08 1n27 s LYS 18 CO 0.02 -1.18 1.05 -1.64 0.16 0.00 0.00 175.35 173.75 1n27 s MET 19 N 2.30 3.14 0.39 4.03 -1.94 -1.26 -4.94 119.30 121.03 1n27 s MET 19 Ca 0.11 0.92 -0.26 0.00 -1.71 0.00 0.00 55.69 54.75 1n27 s MET 19 Cb -0.21 -2.02 -0.09 0.00 2.01 0.00 0.00 34.83 34.52 1n27 s MET 19 CO 0.10 -0.94 1.26 0.21 -0.01 0.00 0.00 175.02 175.64 1n27 s LYS 20 N -5.00 4.05 0.00 2.03 2.20 -1.26 -3.24 119.74 118.52 1n27 s LYS 20 Ca 0.58 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 1n27 s LYS 20 Cb -0.13 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1n27 s LYS 20 CO 0.53 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 1n27 n GLY 21 N 0.69 0.68 3.74 5.54 0.00 -1.26 -4.94 105.19 109.64 1n27 n GLY 21 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1n27 n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n27 s TYR 22 N 0.00 2.38 1.11 1.61 2.02 -1.20 -5.08 117.35 118.19 1n27 s TYR 22 Ca 0.00 1.48 -0.19 0.00 -0.37 0.00 0.00 57.07 57.99 1n27 s TYR 22 Cb 0.00 -3.11 0.26 0.00 -0.40 0.00 0.00 41.96 38.71 1n27 s TYR 22 CO 0.00 -2.13 1.25 -1.25 -1.57 0.00 0.00 175.55 171.86 1n27 s PRO 23 N -4.88 -0.53 -0.62 -1.71 0.04 -1.26 -4.63 135.00 121.40 1n27 s PRO 23 Ca 0.63 -0.40 -0.26 0.00 0.04 0.00 0.00 61.00 61.00 1n27 s PRO 23 Cb -0.18 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1n27 s PRO 23 CO 0.57 -3.20 2.03 -1.01 0.04 0.00 0.00 177.00 175.43 1n27 s HIS 24 N -3.56 1.51 0.19 0.56 3.76 -1.26 -4.24 115.29 112.25 1n27 s HIS 24 Ca 0.75 1.01 -0.28 0.00 -0.15 0.00 0.00 55.06 56.39 1n27 s HIS 24 Cb -0.04 -3.93 -0.08 0.00 1.11 0.00 0.00 32.58 29.63 1n27 s HIS 24 CO 0.55 -2.26 0.88 -0.46 -0.85 0.00 0.00 174.74 172.59 1n27 s TRP 25 N 10.20 3.93 0.36 1.40 -0.11 -0.18 -4.76 118.94 129.78 1n27 s TRP 25 Ca 0.76 1.78 -0.28 0.00 1.22 0.00 0.00 56.10 59.58 1n27 s TRP 25 Cb -0.13 -2.91 -0.10 0.00 -1.50 0.00 0.00 33.47 28.84 1n27 s TRP 25 CO 0.19 0.44 1.32 -1.25 -4.62 0.00 0.00 176.95 173.03 1n27 s PRO 26 N -0.96 4.23 0.21 5.86 0.04 -1.26 -0.60 135.00 142.51 1n27 s PRO 26 Ca 0.40 2.23 -0.09 0.00 0.04 0.00 0.00 61.00 63.58 1n27 s PRO 26 Cb -0.24 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 1n27 s PRO 26 CO 0.29 -0.30 0.33 0.00 0.04 0.00 0.00 177.00 177.36 1n27 s ALA 27 N -1.17 0.18 -0.02 8.56 0.00 0.14 -2.04 121.76 127.41 1n27 s ALA 27 Ca 0.51 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.45 1n27 s ALA 27 Cb -0.40 1.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1n27 s ALA 27 CO 0.53 -0.72 -0.18 -0.98 0.00 0.00 0.00 175.76 174.41 1n27 s ARG 28 N -4.03 1.47 -0.23 0.00 1.70 -0.75 -1.39 118.95 115.71 1n27 s ARG 28 Ca 0.25 -0.63 -0.29 0.00 -0.47 0.00 0.00 55.73 54.58 1n27 s ARG 28 Cb 0.02 -1.41 -0.02 0.00 -0.57 0.00 0.00 34.95 32.98 1n27 s ARG 28 CO 0.07 0.37 1.54 0.42 -1.08 0.00 0.00 175.30 176.62 1n27 s ILE 29 N -0.39 3.80 0.85 4.99 -1.09 -0.80 -2.47 121.20 126.09 1n27 s ILE 29 Ca 0.06 0.91 -0.10 0.00 -2.23 0.00 0.00 60.65 59.29 1n27 s ILE 29 Cb -0.07 -3.80 0.15 0.00 -1.58 0.00 0.00 42.46 37.16 1n27 s ILE 29 CO -0.01 -0.32 1.18 -0.62 -1.23 0.00 0.00 174.94 173.94 1n27 s ASP 30 N 3.83 3.79 0.00 3.58 -1.08 -0.54 -3.37 116.67 122.88 1n27 s ASP 30 Ca 0.68 0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.84 1n27 s ASP 30 Cb -0.23 -0.38 0.00 0.00 -1.46 0.00 0.00 42.92 40.85 1n27 s ASP 30 CO 0.27 -2.28 0.00 -1.84 0.52 0.00 0.00 175.17 171.85 1n27 n GLU 31 N -3.35 1.26 -4.13 4.34 0.00 -1.26 -4.06 120.64 113.44 1n27 n GLU 31 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 57.02 1n27 n GLU 31 Cb 0.60 0.00 -0.17 0.00 0.00 0.00 0.00 31.44 31.87 1n27 n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1n27 s LEU 32 N 0.00 1.47 0.82 -1.84 1.43 -1.26 -4.98 118.68 114.32 1n27 s LEU 32 Ca 0.00 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1n27 s LEU 32 Cb 0.00 -0.97 0.09 0.00 0.03 0.00 0.00 46.19 45.35 1n27 s LEU 32 CO 0.00 -0.06 1.15 -2.16 0.23 0.00 0.00 176.35 175.51 1n27 s PRO 33 N 1.37 1.67 -1.32 1.29 0.04 -1.26 -4.86 135.00 131.92 1n27 s PRO 33 Ca 0.00 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 1n27 s PRO 33 Cb -0.13 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.64 1n27 s PRO 33 CO -0.06 -2.14 1.90 0.39 0.04 0.00 0.00 177.00 177.13 1n27 n GLU 34 N -3.60 2.93 0.00 4.56 1.02 -1.26 -1.69 120.64 122.61 1n27 n GLU 34 Ca 0.12 -2.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.28 1n27 n GLU 34 Cb 0.52 -3.43 0.00 0.00 -0.02 0.00 0.00 31.44 28.50 1n27 n GLU 34 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n27 n GLY 35 N 5.01 0.11 3.68 0.62 0.00 -1.26 -5.16 105.19 108.18 1n27 n GLY 35 Ca 0.50 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 1n27 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n27 s ALA 36 N 0.00 0.94 -0.47 4.61 0.00 -0.68 -4.97 121.76 121.19 1n27 s ALA 36 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 51.96 51.31 1n27 s ALA 36 Cb 0.00 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.01 1n27 s ALA 36 CO 0.00 -2.85 1.43 0.54 0.00 0.00 0.00 175.76 174.88 1n27 s VAL 37 N -2.97 3.84 0.41 0.00 0.11 -1.26 -4.98 120.40 115.55 1n27 s VAL 37 Ca 0.65 0.80 -0.27 0.00 -2.93 0.00 0.00 61.98 60.23 1n27 s VAL 37 Cb -0.19 -4.28 -0.10 0.00 -1.53 0.00 0.00 36.38 30.29 1n27 s VAL 37 CO 0.58 -0.91 1.47 -1.59 -3.33 0.00 0.00 175.10 171.31 1n27 s LYS 38 N 5.23 3.92 0.72 1.54 -2.85 -1.26 -4.98 119.74 122.05 1n27 s LYS 38 Ca 0.58 2.52 -0.12 0.00 -1.00 0.00 0.00 55.97 57.96 1n27 s LYS 38 Cb -0.13 -2.83 0.03 0.00 -2.06 0.00 0.00 37.83 32.84 1n27 s LYS 38 CO 0.30 -0.67 1.08 -1.25 0.10 0.00 0.00 175.35 174.91 1n27 s PRO 39 N -2.26 2.59 0.98 1.78 0.04 -1.26 -5.05 135.00 131.82 1n27 s PRO 39 Ca 0.56 1.15 -0.15 0.00 0.04 0.00 0.00 61.00 62.61 1n27 s PRO 39 Cb -0.46 -1.94 0.18 0.00 0.04 0.00 0.00 34.50 32.33 1n27 s PRO 39 CO 0.61 -1.38 1.18 -1.25 0.04 0.00 0.00 177.00 176.19 1n27 s PRO 40 N -4.75 0.55 0.23 0.56 0.04 -1.26 -4.95 135.00 125.42 1n27 s PRO 40 Ca 0.61 0.05 -0.32 0.00 0.04 0.00 0.00 61.00 61.38 1n27 s PRO 40 Cb -0.17 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 1n27 s PRO 40 CO 0.52 -2.55 1.60 0.00 0.04 0.00 0.00 177.00 176.60 1n27 n ALA 41 N -3.96 2.09 -4.30 8.56 0.00 -1.26 -2.15 120.51 119.49 1n27 n ALA 41 Ca 0.10 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 1n27 n ALA 41 Cb 0.59 -2.42 -0.09 0.00 0.00 0.00 0.00 19.45 17.53 1n27 n ALA 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n27 n ASN 42 N 3.01 0.83 -4.26 0.00 3.02 -1.26 -4.99 115.26 111.60 1n27 n ASN 42 Ca 0.13 -1.27 -0.17 0.00 -0.03 0.00 0.00 54.58 53.25 1n27 n ASN 42 Cb 0.33 -1.66 -0.10 0.00 -0.61 0.00 0.00 39.78 37.73 1n27 n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n27 s LYS 43 N -7.35 1.09 0.17 3.52 1.02 -0.91 -4.03 119.74 113.24 1n27 s LYS 43 Ca 0.01 -1.38 0.09 0.00 0.02 0.00 0.00 55.97 54.71 1n27 s LYS 43 Cb -0.00 -0.83 -0.04 0.00 -0.52 0.00 0.00 37.83 36.44 1n27 s LYS 43 CO 0.99 0.14 -0.12 0.71 -0.92 0.00 0.00 175.35 176.15 1n27 s TYR 44 N -2.73 2.60 -0.45 3.18 2.02 -0.12 -4.65 117.35 117.20 1n27 s TYR 44 Ca 0.14 -0.23 -0.27 0.00 -0.37 0.00 0.00 57.07 56.34 1n27 s TYR 44 Cb -0.01 -1.29 -0.03 0.00 -0.40 0.00 0.00 41.96 40.22 1n27 s TYR 44 CO 0.03 0.49 1.99 -1.25 -1.57 0.00 0.00 175.55 175.24 1n27 s PRO 45 N -2.69 2.81 -0.36 -1.71 0.04 -1.26 -2.97 135.00 128.86 1n27 s PRO 45 Ca 0.23 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 1n27 s PRO 45 Cb -0.09 -4.36 0.02 0.00 0.04 0.00 0.00 34.50 30.10 1n27 s PRO 45 CO 0.14 -2.48 0.21 0.42 0.04 0.00 0.00 177.00 175.33 1n27 s ILE 46 N 8.89 4.72 -0.19 0.56 -1.09 -0.86 -1.46 121.20 131.78 1n27 s ILE 46 Ca 0.81 -0.70 -0.20 0.00 -2.23 0.00 0.00 60.65 58.34 1n27 s ILE 46 Cb -0.19 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1n27 s ILE 46 CO 0.28 -0.17 0.58 0.12 -1.23 0.00 0.00 174.94 174.52 1n27 s PHE 47 N 1.60 3.39 -0.60 3.97 5.36 -1.03 -1.99 117.98 128.67 1n27 s PHE 47 Ca 0.03 0.88 -0.21 0.00 -0.96 0.00 0.00 56.93 56.67 1n27 s PHE 47 Cb -0.19 -2.74 0.07 0.00 -0.34 0.00 0.00 43.02 39.83 1n27 s PHE 47 CO 0.07 -0.12 0.83 -0.06 -1.46 0.00 0.00 175.22 174.48 1n27 s PHE 48 N 1.70 2.84 0.46 10.12 0.08 -0.24 -1.82 117.98 131.13 1n27 s PHE 48 Ca 0.27 -0.58 -0.23 0.00 0.12 0.00 0.00 56.93 56.52 1n27 s PHE 48 Cb -0.16 -4.05 -0.09 0.00 -0.57 0.00 0.00 43.02 38.15 1n27 s PHE 48 CO 0.10 -1.40 0.97 1.19 -0.10 0.00 0.00 175.22 175.98 1n27 n PHE 49 N 7.03 0.98 0.00 0.36 3.72 -0.86 -0.61 117.46 128.08 1n27 n PHE 49 Ca -0.05 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 1n27 n PHE 49 Cb 0.45 -2.19 0.00 0.00 -0.94 0.00 0.00 39.48 36.79 1n27 n PHE 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n27 n GLY 50 N 1.24 1.13 0.18 1.37 0.00 -1.26 -4.03 105.19 103.82 1n27 n GLY 50 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1n27 n GLY 50 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1n27 h THR 51 N 0.00 0.38 -1.31 2.61 1.35 -1.71 -3.45 112.91 110.78 1n27 h THR 51 Ca 0.00 -1.55 -0.33 0.00 -0.55 0.00 0.00 66.41 63.98 1n27 h THR 51 Cb 0.00 2.15 -0.13 0.00 -1.73 0.00 0.00 68.15 68.45 1n27 h THR 51 CO 0.00 0.22 -0.30 1.41 -0.25 0.00 0.00 175.52 176.60 1n27 n HIS 52 N -3.12 -0.27 -1.78 4.73 -0.00 0.22 -4.99 115.22 110.00 1n27 n HIS 52 Ca 0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.45 1n27 n HIS 52 Cb 0.63 -2.92 0.08 0.00 -0.00 0.00 0.00 29.99 27.77 1n27 n HIS 52 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1n27 s GLU 53 N -3.42 2.27 0.13 -0.41 2.02 -1.25 -4.88 118.70 113.16 1n27 s GLU 53 Ca 0.00 0.38 0.08 0.00 0.02 0.00 0.00 54.97 55.46 1n27 s GLU 53 Cb 0.00 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 1n27 s GLU 53 CO 0.00 -1.43 -0.19 0.95 0.02 0.00 0.00 175.26 174.60 1n27 s THR 54 N -3.37 1.73 0.08 3.63 -4.23 -1.26 -1.08 115.64 111.13 1n27 s THR 54 Ca 0.60 -1.72 -0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1n27 s THR 54 Cb -0.12 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 1n27 s THR 54 CO 0.52 -0.20 0.06 0.00 -0.54 0.00 0.00 174.62 174.46 1n27 s ALA 55 N -1.62 0.33 -0.19 3.99 0.00 -0.84 -5.00 121.76 118.42 1n27 s ALA 55 Ca 0.11 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 1n27 s ALA 55 Cb -0.08 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1n27 s ALA 55 CO 0.05 -0.44 0.68 -0.06 0.00 0.00 0.00 175.76 175.99 1n27 s PHE 56 N -3.92 3.38 0.10 0.00 0.08 -1.26 -2.02 117.98 114.33 1n27 s PHE 56 Ca 0.09 1.00 0.05 0.00 0.12 0.00 0.00 56.93 58.20 1n27 s PHE 56 Cb 0.07 -2.85 -0.03 0.00 -0.57 0.00 0.00 43.02 39.63 1n27 s PHE 56 CO -0.08 -0.20 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.19 1n27 s LEU 57 N 2.00 2.35 0.40 -0.37 1.43 -1.16 -4.91 118.68 118.42 1n27 s LEU 57 Ca 0.31 -0.72 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1n27 s LEU 57 Cb -0.16 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 1n27 s LEU 57 CO 0.11 -0.12 0.46 -0.83 0.23 0.00 0.00 176.35 176.19 1n27 s GLY 58 N -2.13 1.99 0.00 -3.19 0.00 -1.26 -0.95 107.32 101.78 1n27 s GLY 58 Ca 0.04 -1.74 0.05 0.00 0.00 0.00 0.00 44.72 43.06 1n27 s GLY 58 CO 0.02 -1.58 0.66 -1.55 0.00 0.00 0.00 173.10 170.66 1n27 n PRO 59 N -1.67 0.34 0.00 2.90 -0.04 -1.26 -1.74 135.00 133.53 1n27 n PRO 59 Ca 0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 1n27 n PRO 59 Cb 0.60 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.81 1n27 n PRO 59 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1n27 n LYS 60 N -0.71 1.16 -0.14 0.54 5.02 -1.26 -4.30 118.16 118.46 1n27 n LYS 60 Ca 0.04 -0.59 0.06 0.00 -2.02 0.00 0.00 58.31 55.79 1n27 n LYS 60 Cb 0.02 -1.40 0.14 0.00 -0.02 0.00 0.00 35.03 33.76 1n27 n LYS 60 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1n27 n ASP 61 N -0.56 2.75 -3.81 4.39 8.00 -0.71 -5.03 116.55 121.58 1n27 n ASP 61 Ca 0.07 -1.88 -0.13 0.00 0.71 0.00 0.00 54.79 53.55 1n27 n ASP 61 Cb 0.37 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.14 1n27 n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n27 s LEU 62 N -1.00 1.46 0.21 0.64 1.43 -1.26 -1.28 118.68 118.88 1n27 s LEU 62 Ca 0.22 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 1n27 s LEU 62 Cb 0.12 0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.33 1n27 s LEU 62 CO 0.16 -0.07 -0.13 -0.36 0.23 0.00 0.00 176.35 176.18 1n27 s PHE 63 N 0.56 1.72 0.18 0.29 0.40 -0.98 -4.88 117.98 115.26 1n27 s PHE 63 Ca -0.05 -0.59 -0.31 0.00 -0.60 0.00 0.00 56.93 55.38 1n27 s PHE 63 Cb -0.07 -0.82 -0.09 0.00 0.51 0.00 0.00 43.02 42.55 1n27 s PHE 63 CO -0.02 0.34 1.47 -1.25 0.70 0.00 0.00 175.22 176.46 1n27 s PRO 64 N -3.66 4.27 0.07 0.24 0.05 -1.26 -3.51 135.00 131.20 1n27 s PRO 64 Ca 0.23 2.25 -0.34 0.00 0.05 0.00 0.00 61.00 63.19 1n27 s PRO 64 Cb -0.00 -3.17 -0.20 0.00 0.05 0.00 0.00 34.50 31.19 1n27 s PRO 64 CO 0.07 -0.49 1.61 -0.92 0.05 0.00 0.00 177.00 177.32 1n27 h TYR 65 N 6.22 -0.97 -0.98 0.56 3.20 -1.78 -3.18 116.97 120.05 1n27 h TYR 65 Ca -0.44 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 61.64 1n27 h TYR 65 Cb 1.21 0.32 -0.12 0.00 1.54 0.00 0.00 36.73 39.68 1n27 h TYR 65 CO 0.64 -0.60 0.55 0.87 -1.64 0.00 0.00 178.16 177.98 1n27 h LYS 66 N -1.04 0.57 -0.55 1.82 1.57 -1.93 0.17 116.57 117.18 1n27 h LYS 66 Ca -0.11 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 1n27 h LYS 66 Cb 0.80 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1n27 h LYS 66 CO 0.17 0.38 -0.02 0.93 -0.57 0.00 0.00 179.45 180.34 1n27 h GLU 67 N 0.59 0.98 -0.37 3.15 4.39 -1.98 -3.27 114.58 118.06 1n27 h GLU 67 Ca 0.61 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1n27 h GLU 67 Cb 1.11 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1n27 h GLU 67 CO -0.46 0.99 0.00 0.66 -1.16 0.00 0.00 179.01 179.04 1n27 n TYR 68 N -4.24 0.48 0.26 4.33 4.02 0.19 -4.65 117.16 117.54 1n27 n TYR 68 Ca 0.02 -0.32 0.16 0.00 -0.01 0.00 0.00 57.90 57.75 1n27 n TYR 68 Cb 0.34 -0.01 0.84 0.00 -0.02 0.00 0.00 39.34 40.50 1n27 n TYR 68 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1n27 h LYS 69 N 3.40 0.00 0.00 -0.72 3.64 -0.84 0.84 116.57 122.90 1n27 h LYS 69 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1n27 h LYS 69 Cb 0.83 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1n27 h LYS 69 CO 0.00 0.00 -1.34 -3.47 -2.27 0.00 0.00 179.45 172.37 1n27 n ASP 70 N -2.64 3.69 0.26 4.20 2.03 -1.26 -3.51 116.55 119.32 1n27 n ASP 70 Ca -0.02 -0.01 -0.15 0.00 0.52 0.00 0.00 54.79 55.13 1n27 n ASP 70 Cb 0.08 0.34 -0.08 0.00 -0.72 0.00 0.00 41.12 40.74 1n27 n ASP 70 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1n27 h LYS 71 N 0.00 -0.63 0.09 -0.67 3.64 -1.69 -3.36 116.57 113.95 1n27 h LYS 71 Ca -0.14 0.04 -0.37 0.00 -1.27 0.00 0.00 60.65 58.92 1n27 h LYS 71 Cb 1.27 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 1n27 h LYS 71 CO -0.00 -0.34 -2.11 1.19 -2.27 0.00 0.00 179.45 175.92 1n27 n PHE 72 N -5.29 0.95 -2.02 1.91 3.72 0.24 -4.70 117.46 112.26 1n27 n PHE 72 Ca -0.11 0.21 -0.35 0.00 -0.05 0.00 0.00 57.45 57.15 1n27 n PHE 72 Cb 0.31 -1.13 -0.04 0.00 -0.94 0.00 0.00 39.48 37.68 1n27 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n27 n GLY 73 N 2.04 1.77 3.70 1.37 0.00 -0.96 -4.85 105.19 108.25 1n27 n GLY 73 Ca -0.35 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 1n27 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n27 s LYS 74 N 5.58 2.14 0.42 1.61 1.02 -1.26 -4.30 119.74 124.95 1n27 s LYS 74 Ca 0.62 -2.36 -0.20 0.00 0.02 0.00 0.00 55.97 54.05 1n27 s LYS 74 Cb 0.03 -1.25 -0.11 0.00 -0.52 0.00 0.00 37.83 35.99 1n27 s LYS 74 CO 0.11 -0.42 0.92 -1.54 -0.92 0.00 0.00 175.35 173.50 1n27 s SER 75 N -3.81 6.90 -0.12 2.83 1.04 -1.26 -4.99 113.70 114.29 1n27 s SER 75 Ca 0.09 1.63 -0.18 0.00 0.48 0.00 0.00 55.95 57.97 1n27 s SER 75 Cb 0.01 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.66 1n27 s SER 75 CO 0.06 -0.35 0.45 0.20 0.98 0.00 0.00 173.24 174.58 1n27 s ASN 76 N -2.23 -0.43 -1.45 7.02 0.01 -1.26 -5.07 114.94 111.52 1n27 s ASN 76 Ca 0.61 0.68 -0.13 0.00 -0.71 0.00 0.00 52.86 53.31 1n27 s ASN 76 Cb -0.09 0.73 0.04 0.00 0.41 0.00 0.00 41.25 42.34 1n27 s ASN 76 CO 0.14 -0.30 2.27 0.29 -1.51 0.00 0.00 177.10 178.00 1n27 n LYS 77 N 2.15 3.12 -3.93 -0.60 5.02 -1.26 -4.53 118.16 118.13 1n27 n LYS 77 Ca -0.16 -2.71 -0.28 0.00 -2.02 0.00 0.00 58.31 53.14 1n27 n LYS 77 Cb 0.57 -3.16 -0.17 0.00 -0.02 0.00 0.00 35.03 32.25 1n27 n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1n27 s ARG 78 N 2.53 1.69 -0.22 1.97 1.81 -1.26 -5.11 118.95 120.37 1n27 s ARG 78 Ca 0.49 -0.37 -0.29 0.00 -1.72 0.00 0.00 55.73 53.84 1n27 s ARG 78 Cb 0.14 -1.77 -0.02 0.00 -0.45 0.00 0.00 34.95 32.85 1n27 s ARG 78 CO -0.07 -0.29 1.43 0.21 -0.68 0.00 0.00 175.30 175.90 1n27 s LYS 79 N 1.64 3.97 0.00 3.54 2.20 -1.26 -1.51 119.74 128.32 1n27 s LYS 79 Ca 0.04 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.21 1n27 s LYS 79 Cb -0.13 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 1n27 s LYS 79 CO -0.09 -1.06 0.00 0.41 -0.36 0.00 0.00 175.35 174.25 1n27 n GLY 80 N 4.26 2.21 0.46 5.54 0.00 -1.26 -4.95 105.19 111.44 1n27 n GLY 80 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 1n27 n GLY 80 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1n27 h PHE 81 N 0.00 -1.07 -0.05 1.61 3.57 -1.60 -1.43 116.94 117.96 1n27 h PHE 81 Ca 0.00 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1n27 h PHE 81 Cb 0.00 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1n27 h PHE 81 CO 0.00 -0.67 0.16 -0.97 -2.23 0.00 0.00 178.31 174.61 1n27 h ASN 82 N -1.25 0.00 0.17 0.41 -0.73 -1.80 0.12 115.58 112.50 1n27 h ASN 82 Ca -0.12 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 57.75 1n27 h ASN 82 Cb 0.89 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.50 1n27 h ASN 82 CO 0.19 0.00 -1.25 -0.33 -0.37 0.00 0.00 177.43 175.67 1n27 h GLU 83 N 0.00 0.60 -0.72 6.67 5.08 -1.84 -2.84 114.58 121.53 1n27 h GLU 83 Ca 0.03 -0.81 -0.04 0.00 -1.00 0.00 0.00 59.36 57.53 1n27 h GLU 83 Cb 0.35 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1n27 h GLU 83 CO -0.00 1.37 0.29 0.78 -1.00 0.00 0.00 179.01 180.44 1n27 h GLY 84 N 0.39 1.15 2.00 -3.84 0.00 0.29 -1.14 103.07 101.92 1n27 h GLY 84 Ca -0.19 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1n27 h GLY 84 CO 0.24 0.58 0.00 1.04 0.00 0.00 0.00 176.54 178.39 1n27 n LEU 85 N -4.29 0.63 -0.04 3.11 7.99 -0.36 -1.76 117.00 122.27 1n27 n LEU 85 Ca 0.06 0.67 -0.16 0.00 -0.01 0.00 0.00 56.01 56.58 1n27 n LEU 85 Cb 0.18 -0.60 -0.13 0.00 -0.11 0.00 0.00 43.42 42.76 1n27 n LEU 85 CO 0.40 -0.59 0.31 -0.25 -1.51 0.00 0.00 177.39 175.74 1n27 h TRP 86 N 0.00 0.14 0.21 -1.77 7.01 -0.99 -3.34 115.95 117.22 1n27 h TRP 86 Ca 0.00 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 1n27 h TRP 86 Cb 0.32 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1n27 h TRP 86 CO 0.00 1.07 -0.13 0.93 -2.79 0.00 0.00 178.44 177.52 1n27 h GLU 87 N -0.82 -0.32 -0.68 2.65 4.39 -0.97 -2.75 114.58 116.08 1n27 h GLU 87 Ca -0.04 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.73 1n27 h GLU 87 Cb 1.15 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.83 1n27 h GLU 87 CO 0.04 -0.21 0.40 0.97 -1.16 0.00 0.00 179.01 179.05 1n27 h ILE 88 N -0.33 1.03 -0.32 3.13 2.10 -1.53 0.31 117.51 121.90 1n27 h ILE 88 Ca -0.02 -0.26 -0.00 0.00 1.08 0.00 0.00 64.86 65.66 1n27 h ILE 88 Cb 0.27 0.20 -0.02 0.00 -1.09 0.00 0.00 36.82 36.19 1n27 h ILE 88 CO 0.02 0.14 0.19 -0.33 -1.08 0.00 0.00 178.15 177.09 1n27 h GLU 89 N 0.76 0.43 -0.00 2.19 4.39 -1.67 -2.97 114.58 117.71 1n27 h GLU 89 Ca 0.29 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1n27 h GLU 89 Cb 0.11 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1n27 h GLU 89 CO -0.15 0.34 -0.18 0.09 -1.16 0.00 0.00 179.01 177.96 1n27 n ASN 90 N -4.82 0.43 0.26 1.42 3.02 -0.52 -4.12 115.26 110.93 1n27 n ASN 90 Ca -0.01 -0.33 0.08 0.00 -0.03 0.00 0.00 54.58 54.28 1n27 n ASN 90 Cb 0.06 -0.07 0.63 0.00 -0.61 0.00 0.00 39.78 39.79 1n27 n ASN 90 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1n27 h SER 91 N 0.40 0.00 -5.31 6.41 0.87 -0.27 -3.44 113.55 112.21 1n27 h SER 91 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1n27 h SER 91 Cb 0.42 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.30 1n27 h SER 91 CO 0.00 0.02 -0.13 -0.83 -0.53 0.00 0.00 176.83 175.36 1n27 s GLY 92 N -4.08 0.82 0.95 5.77 0.00 -1.26 -5.10 107.32 104.42 1n27 s GLY 92 Ca -0.05 -1.08 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 1n27 s GLY 92 CO 0.67 -0.74 1.12 2.56 0.00 0.00 0.00 173.10 176.71 1n27 s PRO 93 N -3.63 0.81 0.00 2.90 0.04 -1.26 -4.95 135.00 128.91 1n27 s PRO 93 Ca 0.25 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1n27 s PRO 93 Cb -0.01 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1n27 s PRO 93 CO 0.12 -2.44 0.00 0.45 0.04 0.00 0.00 177.00 175.17 1n27 n SER 94 N -3.95 0.00 0.00 6.66 2.88 -1.26 -4.92 113.62 113.03 1n27 n SER 94 Ca 0.06 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.73 1n27 n SER 94 Cb 0.58 0.04 0.61 0.00 -0.75 0.00 0.00 64.21 64.69 1n27 n SER 94 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1n27 n SER 95 N -0.94 0.00 0.00 -3.46 7.64 -1.26 -5.31 113.62 110.29 1n27 n SER 95 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1n27 n SER 95 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64