#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 -0.09 -4.01 1.61 3.41 -1.26 -5.14 113.62 108.15 1n27 n SER 2 Ca 0.00 -0.13 -0.08 0.00 -0.26 0.00 0.00 58.87 58.40 1n27 n SER 2 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1n27 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1n27 s SER 3 N -1.24 0.36 -0.02 4.04 1.04 -1.26 -5.18 113.70 111.43 1n27 s SER 3 Ca 0.00 -0.87 -0.04 0.00 0.48 0.00 0.00 55.95 55.52 1n27 s SER 3 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1n27 s SER 3 CO 0.00 -0.64 0.09 -0.83 0.98 0.00 0.00 173.24 172.84 1n27 s GLY 4 N -2.89 -0.00 0.00 7.32 0.00 -1.26 -5.04 107.32 105.45 1n27 s GLY 4 Ca 0.06 0.06 0.18 0.00 0.00 0.00 0.00 44.72 45.02 1n27 s GLY 4 CO -0.10 -0.01 1.54 -1.26 0.00 0.00 0.00 173.10 173.27 1n27 n SER 5 N 2.44 0.00 -0.48 1.64 2.88 -1.26 -4.83 113.62 114.01 1n27 n SER 5 Ca -0.17 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1n27 n SER 5 Cb 0.58 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 1n27 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1n27 n SER 6 N -1.22 0.00 -0.41 -3.46 2.88 -1.26 -4.93 113.62 105.21 1n27 n SER 6 Ca 0.10 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1n27 n SER 6 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1n27 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n27 n GLY 7 N 0.00 0.90 0.00 0.46 0.00 -1.26 -4.91 105.19 100.37 1n27 n GLY 7 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1n27 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n27 n GLU 8 N -0.54 0.00 -3.37 1.61 2.13 -1.26 -5.10 120.64 114.10 1n27 n GLU 8 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1n27 n GLU 8 Cb 0.47 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.17 1n27 n GLU 8 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1n27 s TYR 9 N -1.13 3.49 0.18 4.31 2.02 -1.26 -5.06 117.35 119.90 1n27 s TYR 9 Ca 0.00 0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 57.11 1n27 s TYR 9 Cb 0.00 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1n27 s TYR 9 CO 0.00 0.15 0.18 -1.59 -1.57 0.00 0.00 175.55 172.73 1n27 s LYS 10 N -3.99 1.15 0.15 -0.62 -2.85 -1.26 -5.09 119.74 107.23 1n27 s LYS 10 Ca 0.41 -1.43 -0.34 0.00 -1.00 0.00 0.00 55.97 53.61 1n27 s LYS 10 Cb -0.10 0.31 -0.15 0.00 -2.06 0.00 0.00 37.83 35.82 1n27 s LYS 10 CO 0.34 -0.39 1.32 0.00 0.10 0.00 0.00 175.35 176.71 1n27 n ALA 11 N -0.22 -0.28 -0.01 0.59 0.00 -1.26 -1.71 120.51 117.61 1n27 n ALA 11 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1n27 n ALA 11 Cb 0.64 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 2.40 1.29 3.76 0.00 0.00 -1.20 -5.04 105.19 106.40 1n27 n GLY 12 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1n27 n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n27 s ASP 13 N -2.88 6.00 -0.04 1.61 1.01 -0.70 -4.92 116.67 116.76 1n27 s ASP 13 Ca 0.00 2.63 -0.03 0.00 0.71 0.00 0.00 52.55 55.86 1n27 s ASP 13 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1n27 s ASP 13 CO 0.00 -1.06 0.14 -0.76 0.21 0.00 0.00 175.17 173.70 1n27 s LEU 14 N -2.83 4.24 0.26 1.23 1.43 -1.26 -2.24 118.68 119.51 1n27 s LEU 14 Ca 0.62 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 1n27 s LEU 14 Cb -0.37 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1n27 s LEU 14 CO 0.46 0.31 0.25 0.68 0.23 0.00 0.00 176.35 178.28 1n27 s VAL 15 N -1.20 0.00 -0.06 -1.59 -7.23 -0.03 -1.86 120.40 108.43 1n27 s VAL 15 Ca 0.22 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 1n27 s VAL 15 Cb -0.12 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 1n27 s VAL 15 CO 0.13 0.00 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.42 1n27 s PHE 16 N -3.79 2.71 0.60 2.82 0.08 0.01 -1.26 117.98 119.15 1n27 s PHE 16 Ca 0.37 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 57.17 1n27 s PHE 16 Cb 0.04 -1.67 0.06 0.00 -0.57 0.00 0.00 43.02 40.88 1n27 s PHE 16 CO 0.18 0.10 0.84 0.00 -0.10 0.00 0.00 175.22 176.24 1n27 s ALA 17 N -0.52 3.85 -0.22 5.36 0.00 -0.03 -1.15 121.76 129.05 1n27 s ALA 17 Ca 0.07 -1.44 -0.04 0.00 0.00 0.00 0.00 51.96 50.55 1n27 s ALA 17 Cb -0.12 -2.06 0.09 0.00 0.00 0.00 0.00 23.12 21.03 1n27 s ALA 17 CO 0.01 -0.95 0.15 0.21 0.00 0.00 0.00 175.76 175.19 1n27 s LYS 18 N -4.87 0.15 0.91 0.00 2.47 -1.15 -1.64 119.74 115.60 1n27 s LYS 18 Ca 0.60 -0.14 -0.14 0.00 -1.56 0.00 0.00 55.97 54.73 1n27 s LYS 18 Cb -0.09 -1.39 0.15 0.00 -1.46 0.00 0.00 37.83 35.03 1n27 s LYS 18 CO 0.40 -0.80 1.20 -1.64 0.16 0.00 0.00 175.35 174.68 1n27 s MET 19 N 2.19 1.12 -0.03 4.03 -1.94 -1.26 -4.92 119.30 118.49 1n27 s MET 19 Ca 0.06 0.00 -0.03 0.00 -1.71 0.00 0.00 55.69 54.02 1n27 s MET 19 Cb -0.16 -1.86 -0.10 0.00 2.01 0.00 0.00 34.83 34.72 1n27 s MET 19 CO -0.20 -2.16 2.67 1.17 -0.01 0.00 0.00 175.02 176.50 1n27 n LYS 20 N -3.68 1.48 0.00 2.03 4.81 -1.26 -3.72 118.16 117.81 1n27 n LYS 20 Ca 0.10 -0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.00 1n27 n LYS 20 Cb 0.60 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.19 1n27 n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n27 n GLY 21 N 1.83 2.91 3.58 3.14 0.00 -1.26 -5.14 105.19 110.25 1n27 n GLY 21 Ca 0.20 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1n27 n GLY 21 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n27 n TYR 22 N 0.00 0.22 -0.86 1.61 4.01 -1.24 -5.02 117.16 115.87 1n27 n TYR 22 Ca 0.00 0.36 -0.25 0.00 -0.16 0.00 0.00 57.90 57.85 1n27 n TYR 22 Cb 0.00 -2.00 0.21 0.00 -0.31 0.00 0.00 39.34 37.24 1n27 n TYR 22 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1n27 n PRO 23 N -2.16 -3.01 -2.24 -0.72 -0.04 -1.26 -4.13 135.00 121.44 1n27 n PRO 23 Ca 0.11 -1.43 -0.36 0.00 -0.04 0.00 0.00 63.50 61.79 1n27 n PRO 23 Cb 0.51 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1n27 n PRO 23 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1n27 n HIS 24 N -4.59 3.57 -1.91 0.54 8.25 -1.26 -4.00 115.22 115.82 1n27 n HIS 24 Ca 0.13 -2.12 -0.41 0.00 -0.26 0.00 0.00 57.72 55.05 1n27 n HIS 24 Cb 0.49 -2.59 -0.02 0.00 1.12 0.00 0.00 29.99 28.99 1n27 n HIS 24 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1n27 s TRP 25 N 7.61 2.92 0.15 4.41 -0.11 -0.65 -4.66 118.94 128.62 1n27 s TRP 25 Ca 0.61 0.87 -0.31 0.00 1.22 0.00 0.00 56.10 58.49 1n27 s TRP 25 Cb 0.02 -3.93 -0.09 0.00 -1.50 0.00 0.00 33.47 27.97 1n27 s TRP 25 CO 0.10 -3.15 1.41 -1.25 -4.62 0.00 0.00 176.95 169.45 1n27 s PRO 26 N -0.19 4.31 0.22 5.86 0.04 -1.26 -0.85 135.00 143.12 1n27 s PRO 26 Ca 0.63 2.15 -0.10 0.00 0.04 0.00 0.00 61.00 63.71 1n27 s PRO 26 Cb -0.44 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 1n27 s PRO 26 CO 0.43 -0.43 0.38 0.00 0.04 0.00 0.00 177.00 177.42 1n27 s ALA 27 N 0.80 0.02 0.12 8.56 0.00 -0.39 -2.21 121.76 128.67 1n27 s ALA 27 Ca 0.63 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1n27 s ALA 27 Cb -0.39 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1n27 s ALA 27 CO 0.33 -0.76 -0.07 -0.98 0.00 0.00 0.00 175.76 174.28 1n27 s ARG 28 N -4.02 0.91 -0.31 0.00 1.70 -0.58 -0.85 118.95 115.80 1n27 s ARG 28 Ca 0.23 -1.38 -0.26 0.00 -0.47 0.00 0.00 55.73 53.86 1n27 s ARG 28 Cb 0.02 -0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.09 1n27 s ARG 28 CO 0.07 -0.00 0.89 0.42 -1.08 0.00 0.00 175.30 175.60 1n27 s ILE 29 N -3.55 4.70 0.89 4.99 -1.09 -0.95 -2.26 121.20 123.93 1n27 s ILE 29 Ca 0.14 1.41 -0.13 0.00 -2.23 0.00 0.00 60.65 59.84 1n27 s ILE 29 Cb 0.05 -4.24 0.20 0.00 -1.58 0.00 0.00 42.46 36.89 1n27 s ILE 29 CO -0.03 -0.32 1.21 -0.67 -1.23 0.00 0.00 174.94 173.91 1n27 n ASP 30 N 6.42 0.35 -4.20 3.58 2.03 -0.59 -3.27 116.55 120.87 1n27 n ASP 30 Ca 0.07 -1.60 -0.20 0.00 0.52 0.00 0.00 54.79 53.58 1n27 n ASP 30 Cb 0.48 -0.90 -0.12 0.00 -0.72 0.00 0.00 41.12 39.85 1n27 n ASP 30 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1n27 s GLU 31 N -5.63 0.93 -0.22 -0.67 -1.05 -1.26 -4.54 118.70 106.26 1n27 s GLU 31 Ca 0.71 -0.97 -0.28 0.00 -0.15 0.00 0.00 54.97 54.28 1n27 s GLU 31 Cb -0.02 -1.01 0.00 0.00 -0.44 0.00 0.00 34.13 32.67 1n27 s GLU 31 CO 0.49 0.23 1.00 -0.51 0.95 0.00 0.00 175.26 177.42 1n27 s LEU 32 N -1.65 4.12 1.11 1.83 1.43 -1.26 -5.04 118.68 119.21 1n27 s LEU 32 Ca 0.01 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.33 1n27 s LEU 32 Cb -0.10 -3.48 0.25 0.00 0.03 0.00 0.00 46.19 42.90 1n27 s LEU 32 CO 0.03 -0.61 1.06 -2.16 0.23 0.00 0.00 176.35 174.89 1n27 s PRO 33 N 2.98 -0.51 0.00 1.29 0.04 -1.26 -4.88 135.00 132.66 1n27 s PRO 33 Ca 0.43 1.05 0.25 0.00 0.04 0.00 0.00 61.00 62.77 1n27 s PRO 33 Cb -0.15 -1.59 1.31 0.00 0.04 0.00 0.00 34.50 34.11 1n27 s PRO 33 CO 0.08 -3.51 1.84 0.39 0.04 0.00 0.00 177.00 175.83 1n27 n GLU 34 N -4.80 0.45 -2.67 4.56 1.02 -1.26 -2.52 120.64 115.42 1n27 n GLU 34 Ca 0.05 0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 57.10 1n27 n GLU 34 Cb 0.53 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.47 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 0.76 2.65 3.90 0.62 0.00 -1.26 -5.12 105.19 106.75 1n27 n GLY 35 Ca 0.13 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.30 1n27 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n27 n ALA 36 N -0.12 0.78 -2.76 4.61 0.00 -1.05 -5.01 120.51 116.96 1n27 n ALA 36 Ca 0.17 -2.04 -0.43 0.00 0.00 0.00 0.00 53.44 51.13 1n27 n ALA 36 Cb 0.77 0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.68 1n27 n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n27 n VAL 37 N -2.53 4.53 -0.52 0.00 0.31 -1.26 -4.96 118.33 113.89 1n27 n VAL 37 Ca 0.16 -4.89 -0.24 0.00 -0.01 0.00 0.00 64.34 59.36 1n27 n VAL 37 Cb 0.60 -2.37 -0.05 0.00 -0.91 0.00 0.00 33.84 31.11 1n27 n VAL 37 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1n27 n LYS 38 N 3.80 0.00 -1.10 5.55 2.85 -1.26 -4.91 118.16 123.09 1n27 n LYS 38 Ca 0.35 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.30 1n27 n LYS 38 Cb 0.38 -0.62 0.14 0.00 -0.65 0.00 0.00 35.03 34.28 1n27 n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1n27 s PRO 39 N 2.60 1.39 0.29 -1.58 0.04 -1.26 -5.01 135.00 131.47 1n27 s PRO 39 Ca 0.50 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1n27 s PRO 39 Cb -0.61 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 1n27 s PRO 39 CO 0.26 -2.21 1.26 -1.25 0.04 0.00 0.00 177.00 175.10 1n27 s PRO 40 N -4.85 4.43 -0.27 0.56 0.04 -1.26 -4.94 135.00 128.72 1n27 s PRO 40 Ca 0.64 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 63.47 1n27 s PRO 40 Cb -0.19 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1n27 s PRO 40 CO 0.57 -0.10 1.83 0.00 0.04 0.00 0.00 177.00 179.34 1n27 s ALA 41 N -0.86 2.97 0.00 8.56 0.00 -1.26 -1.60 121.76 129.56 1n27 s ALA 41 Ca 0.50 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1n27 s ALA 41 Cb -0.37 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 18.77 1n27 s ALA 41 CO 0.47 -2.45 0.00 0.09 0.00 0.00 0.00 175.76 173.86 1n27 n ASN 42 N 9.95 0.00 -4.47 0.00 3.02 -1.26 -5.15 115.26 117.35 1n27 n ASN 42 Ca 0.23 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.47 1n27 n ASN 42 Cb 0.46 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.00 2.21 0.09 3.52 1.02 -0.63 -3.93 119.74 122.02 1n27 s LYS 43 Ca 0.00 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 55.12 1n27 s LYS 43 Cb 0.00 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1n27 s LYS 43 CO 0.00 0.56 0.13 0.71 -0.92 0.00 0.00 175.35 175.83 1n27 s TYR 44 N -0.89 3.29 -0.50 3.18 2.02 -0.72 -4.88 117.35 118.85 1n27 s TYR 44 Ca 0.14 0.11 -0.27 0.00 -0.37 0.00 0.00 57.07 56.68 1n27 s TYR 44 Cb -0.11 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 1n27 s TYR 44 CO 0.05 0.54 1.76 -1.25 -1.57 0.00 0.00 175.55 175.07 1n27 s PRO 45 N -2.53 3.00 -0.04 -1.71 0.04 -1.26 -3.44 135.00 129.05 1n27 s PRO 45 Ca 0.31 0.88 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 1n27 s PRO 45 Cb -0.12 -4.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.10 1n27 s PRO 45 CO 0.24 -2.28 0.28 0.42 0.04 0.00 0.00 177.00 175.71 1n27 s ILE 46 N 7.77 5.26 -0.21 0.56 -1.09 -1.18 -1.54 121.20 130.78 1n27 s ILE 46 Ca 0.69 0.48 -0.03 0.00 -2.23 0.00 0.00 60.65 59.57 1n27 s ILE 46 Cb -0.16 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1n27 s ILE 46 CO 0.26 0.55 -0.07 0.12 -1.23 0.00 0.00 174.94 174.58 1n27 s PHE 47 N -1.10 2.93 -0.31 3.97 5.36 -0.96 -2.74 117.98 125.12 1n27 s PHE 47 Ca 0.21 -0.97 -0.29 0.00 -0.96 0.00 0.00 56.93 54.92 1n27 s PHE 47 Cb -0.14 -2.06 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 1n27 s PHE 47 CO 0.10 -0.53 1.18 -0.06 -1.46 0.00 0.00 175.22 174.45 1n27 s PHE 48 N 1.33 2.93 0.70 10.12 0.40 0.08 -1.52 117.98 132.02 1n27 s PHE 48 Ca 0.04 1.03 -0.14 0.00 -0.60 0.00 0.00 56.93 57.26 1n27 s PHE 48 Cb -0.14 -3.81 0.02 0.00 0.51 0.00 0.00 43.02 39.60 1n27 s PHE 48 CO -0.03 -1.22 1.13 -0.06 0.70 0.00 0.00 175.22 175.74 1n27 s PHE 49 N 3.97 2.45 0.00 0.36 0.08 -0.94 -1.05 117.98 122.85 1n27 s PHE 49 Ca 0.50 1.58 0.00 0.00 0.12 0.00 0.00 56.93 59.13 1n27 s PHE 49 Cb -0.14 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 39.09 1n27 s PHE 49 CO 0.19 -1.95 0.00 0.41 -0.10 0.00 0.00 175.22 173.77 1n27 n GLY 50 N -0.39 1.41 0.18 4.36 0.00 -1.26 -4.39 105.19 105.10 1n27 n GLY 50 Ca 0.11 -0.02 0.10 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 0.18 -0.98 2.61 1.35 -1.76 -3.45 112.91 110.86 1n27 h THR 51 Ca 0.00 -1.27 -0.27 0.00 -0.55 0.00 0.00 66.41 64.33 1n27 h THR 51 Cb 0.00 2.01 -0.11 0.00 -1.73 0.00 0.00 68.15 68.32 1n27 h THR 51 CO 0.00 0.10 -0.24 1.41 -0.25 0.00 0.00 175.52 176.54 1n27 n HIS 52 N -3.06 -0.18 -1.20 4.73 -0.00 -0.22 -4.99 115.22 110.32 1n27 n HIS 52 Ca 0.03 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.45 1n27 n HIS 52 Cb 0.58 -2.69 0.15 0.00 -0.00 0.00 0.00 29.99 28.03 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 -3.02 0.98 0.00 -0.41 2.02 -1.23 -4.78 118.70 112.27 1n27 s GLU 53 Ca 0.00 0.71 -0.04 0.00 0.02 0.00 0.00 54.97 55.66 1n27 s GLU 53 Cb 0.00 -1.79 -0.01 0.00 0.10 0.00 0.00 34.13 32.44 1n27 s GLU 53 CO 0.00 -2.40 0.07 0.95 0.02 0.00 0.00 175.26 173.89 1n27 s THR 54 N -2.95 0.08 0.36 3.63 -4.23 -1.26 -0.74 115.64 110.52 1n27 s THR 54 Ca 0.64 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1n27 s THR 54 Cb -0.18 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.35 1n27 s THR 54 CO 0.57 -0.35 0.47 0.00 -0.54 0.00 0.00 174.62 174.77 1n27 s ALA 55 N -1.15 0.91 -0.27 3.99 0.00 -1.11 -5.02 121.76 119.12 1n27 s ALA 55 Ca -0.12 -1.60 0.02 0.00 0.00 0.00 0.00 51.96 50.26 1n27 s ALA 55 Cb -0.07 1.17 0.07 0.00 0.00 0.00 0.00 23.12 24.29 1n27 s ALA 55 CO 0.00 -0.79 -0.04 -0.06 0.00 0.00 0.00 175.76 174.88 1n27 s PHE 56 N -2.96 2.92 0.07 0.00 0.08 -1.26 -3.11 117.98 113.72 1n27 s PHE 56 Ca 0.31 -2.20 0.09 0.00 0.12 0.00 0.00 56.93 55.25 1n27 s PHE 56 Cb -0.00 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1n27 s PHE 56 CO 0.22 -0.85 -0.24 -0.51 -0.10 0.00 0.00 175.22 173.74 1n27 s LEU 57 N 1.21 2.22 0.36 -0.37 1.43 -1.22 -4.95 118.68 117.36 1n27 s LEU 57 Ca -0.03 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1n27 s LEU 57 Cb -0.19 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1n27 s LEU 57 CO -0.07 0.18 0.55 -0.83 0.23 0.00 0.00 176.35 176.41 1n27 s GLY 58 N -1.49 1.43 0.54 -3.19 0.00 -1.26 -1.75 107.32 101.59 1n27 s GLY 58 Ca 0.10 -1.07 0.29 0.00 0.00 0.00 0.00 44.72 44.04 1n27 s GLY 58 CO 0.03 -0.98 2.09 -0.56 0.00 0.00 0.00 173.10 173.68 1n27 h PRO 59 N 0.71 0.00 0.00 2.90 0.13 -1.92 -1.22 132.00 132.60 1n27 h PRO 59 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1n27 h PRO 59 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1n27 h PRO 59 CO 0.59 0.10 0.00 1.63 -0.23 0.00 0.00 178.00 180.09 1n27 n LYS 60 N -3.56 0.03 -0.15 0.86 5.02 -1.26 -1.41 118.16 117.70 1n27 n LYS 60 Ca -0.02 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.67 1n27 n LYS 60 Cb 0.23 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.46 3.12 -4.17 4.39 9.92 -0.46 -5.02 116.55 122.87 1n27 n ASP 61 Ca 0.03 -1.91 -0.15 0.00 -0.53 0.00 0.00 54.79 52.23 1n27 n ASP 61 Cb 0.11 -0.20 -0.11 0.00 -0.64 0.00 0.00 41.12 40.28 1n27 n ASP 61 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1n27 s LEU 62 N -1.33 2.37 -0.02 0.64 1.43 -0.50 -2.96 118.68 118.32 1n27 s LEU 62 Ca 0.32 -0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1n27 s LEU 62 Cb 0.19 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 46.06 1n27 s LEU 62 CO 0.26 -0.21 0.10 -0.36 0.23 0.00 0.00 176.35 176.37 1n27 s PHE 63 N -2.13 -0.03 0.13 0.29 0.40 -0.30 -4.92 117.98 111.43 1n27 s PHE 63 Ca 0.03 0.08 -0.31 0.00 -0.60 0.00 0.00 56.93 56.13 1n27 s PHE 63 Cb -0.05 -0.01 -0.09 0.00 0.51 0.00 0.00 43.02 43.38 1n27 s PHE 63 CO 0.01 -0.14 1.51 -1.25 0.70 0.00 0.00 175.22 176.05 1n27 s PRO 64 N -0.52 4.25 0.16 0.24 0.05 -1.26 -0.81 135.00 137.11 1n27 s PRO 64 Ca -0.06 2.24 -0.16 0.00 0.05 0.00 0.00 61.00 63.08 1n27 s PRO 64 Cb -0.04 -3.25 0.09 0.00 0.05 0.00 0.00 34.50 31.35 1n27 s PRO 64 CO 0.00 -0.56 1.73 -0.92 0.05 0.00 0.00 177.00 177.30 1n27 h TYR 65 N 7.00 0.13 0.00 0.56 3.20 -1.62 -2.31 116.97 123.93 1n27 h TYR 65 Ca -0.42 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.47 1n27 h TYR 65 Cb 1.20 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 1n27 h TYR 65 CO 0.67 0.02 -0.02 0.87 -1.64 0.00 0.00 178.16 178.06 1n27 h LYS 66 N 0.21 0.00 0.16 1.82 1.57 -1.92 0.64 116.57 119.05 1n27 h LYS 66 Ca 0.18 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.71 1n27 h LYS 66 Cb 0.20 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.53 1n27 h LYS 66 CO -0.23 0.02 -1.15 1.49 -0.57 0.00 0.00 179.45 179.01 1n27 h GLU 67 N 0.00 0.33 -0.46 3.15 4.57 -1.84 -3.40 114.58 116.93 1n27 h GLU 67 Ca -0.00 -0.57 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 1n27 h GLU 67 Cb 0.06 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1n27 h GLU 67 CO 0.00 1.27 0.00 0.66 -1.18 0.00 0.00 179.01 179.76 1n27 n TYR 68 N -3.97 0.60 -0.01 0.92 4.01 -0.35 -4.66 117.16 113.70 1n27 n TYR 68 Ca -0.18 -0.31 0.07 0.00 -0.16 0.00 0.00 57.90 57.31 1n27 n TYR 68 Cb 0.91 -0.00 0.46 0.00 -0.31 0.00 0.00 39.34 40.40 1n27 n TYR 68 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1n27 h LYS 69 N 4.31 0.47 0.00 -0.72 3.64 -1.16 0.68 116.57 123.78 1n27 h LYS 69 Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1n27 h LYS 69 Cb 0.97 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1n27 h LYS 69 CO 0.00 0.31 -1.94 -0.25 -2.27 0.00 0.00 179.45 175.30 1n27 n ASP 70 N -4.48 0.10 0.01 4.20 8.00 -1.26 -3.51 116.55 119.61 1n27 n ASP 70 Ca 0.05 0.04 -0.01 0.00 0.71 0.00 0.00 54.79 55.58 1n27 n ASP 70 Cb 0.16 1.69 -0.00 0.00 -0.02 0.00 0.00 41.12 42.95 1n27 n ASP 70 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1n27 h LYS 71 N 0.00 -0.03 0.14 -1.24 3.64 -1.46 -3.40 116.57 114.21 1n27 h LYS 71 Ca -0.07 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.11 1n27 h LYS 71 Cb 1.17 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.01 1n27 h LYS 71 CO 0.00 -0.02 -0.92 0.74 -2.27 0.00 0.00 179.45 176.98 1n27 h PHE 72 N -0.13 0.54 -0.96 1.91 0.04 -1.21 -3.43 116.94 113.70 1n27 h PHE 72 Ca -0.00 -0.39 -0.30 0.00 2.80 0.00 0.00 57.97 60.08 1n27 h PHE 72 Cb 0.03 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1n27 h PHE 72 CO 0.04 1.36 1.10 0.41 -0.60 0.00 0.00 178.31 180.62 1n27 n GLY 73 N 1.68 -0.02 2.81 -1.45 0.00 -1.07 -4.88 105.19 102.26 1n27 n GLY 73 Ca -0.16 0.54 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 8.51 -0.02 -0.08 1.61 -0.14 -1.26 -4.41 119.74 123.96 1n27 s LYS 74 Ca 1.01 0.14 -0.30 0.00 -1.36 0.00 0.00 55.97 55.47 1n27 s LYS 74 Cb -0.28 -0.17 -0.03 0.00 -1.68 0.00 0.00 37.83 35.67 1n27 s LYS 74 CO 0.23 -0.12 1.34 -1.12 -0.76 0.00 0.00 175.35 174.93 1n27 s SER 75 N 0.75 6.90 0.24 2.83 0.01 -1.26 -5.00 113.70 118.17 1n27 s SER 75 Ca -0.06 1.91 -0.05 0.00 1.31 0.00 0.00 55.95 59.06 1n27 s SER 75 Cb -0.09 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1n27 s SER 75 CO -0.02 -0.73 0.30 0.21 0.41 0.00 0.00 173.24 173.41 1n27 s ASN 76 N 2.03 0.28 -0.13 2.44 2.47 -1.26 -5.08 114.94 115.68 1n27 s ASN 76 Ca 0.60 -1.27 -0.07 0.00 0.42 0.00 0.00 52.86 52.53 1n27 s ASN 76 Cb -0.27 0.50 -0.02 0.00 -1.45 0.00 0.00 41.25 40.01 1n27 s ASN 76 CO 0.22 -1.02 -0.14 0.11 -3.72 0.00 0.00 177.10 172.54 1n27 h LYS 77 N 2.39 0.00 0.00 0.43 1.57 -1.94 -2.67 116.57 116.35 1n27 h LYS 77 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1n27 h LYS 77 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1n27 h LYS 77 CO 0.44 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.86 1n27 n ARG 78 N -4.64 0.00 -3.65 3.15 5.12 -1.26 -2.69 116.66 112.69 1n27 n ARG 78 Ca -0.06 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.58 1n27 n ARG 78 Cb 0.21 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.35 1n27 n ARG 78 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1n27 s LYS 79 N 0.00 0.39 0.00 5.56 2.20 -1.26 -4.82 119.74 121.81 1n27 s LYS 79 Ca 0.00 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1n27 s LYS 79 Cb 0.00 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.56 1n27 s LYS 79 CO 0.00 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.59 1n27 n GLY 80 N 5.13 0.72 0.09 5.54 0.00 -1.26 -4.82 105.19 110.59 1n27 n GLY 80 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.06 -0.94 1.61 3.57 -1.78 -1.42 116.94 117.92 1n27 h PHE 81 Ca 0.00 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1n27 h PHE 81 Cb 0.01 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 1n27 h PHE 81 CO 0.01 0.55 0.57 -0.91 -2.23 0.00 0.00 178.31 176.29 1n27 h ASN 82 N -0.90 0.82 0.19 0.41 -0.26 -1.58 0.12 115.58 114.38 1n27 h ASN 82 Ca -0.01 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1n27 h ASN 82 Cb 0.64 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1n27 h ASN 82 CO 0.01 0.43 -0.09 -0.33 -1.06 0.00 0.00 177.43 176.40 1n27 h GLU 83 N 0.90 -0.24 -0.42 0.81 5.08 -1.89 -1.33 114.58 117.49 1n27 h GLU 83 Ca 0.46 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.79 1n27 h GLU 83 Cb 0.47 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1n27 h GLU 83 CO -0.27 -0.09 0.03 0.78 -1.00 0.00 0.00 179.01 178.46 1n27 h GLY 84 N -0.34 0.71 0.84 -3.84 0.00 -0.17 0.75 103.07 101.01 1n27 h GLY 84 Ca -0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1n27 h GLY 84 CO 0.04 0.40 0.01 1.41 0.00 0.00 0.00 176.54 178.40 1n27 h LEU 85 N 0.63 0.06 -1.42 3.11 -0.00 -0.79 -1.62 115.31 115.28 1n27 h LEU 85 Ca 0.13 -0.18 0.06 0.00 -0.00 0.00 0.00 57.88 57.90 1n27 h LEU 85 Cb 0.34 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 40.95 1n27 h LEU 85 CO 0.01 0.22 0.46 -0.25 -0.00 0.00 0.00 178.44 178.87 1n27 h TRP 86 N -0.11 0.71 -0.12 1.13 7.01 -0.63 -1.14 115.95 122.80 1n27 h TRP 86 Ca 0.01 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1n27 h TRP 86 Cb 0.18 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1n27 h TRP 86 CO -0.01 0.38 -0.04 1.49 -2.79 0.00 0.00 178.44 177.47 1n27 h GLU 87 N 0.70 0.24 -0.24 2.65 4.81 -0.48 -2.68 114.58 119.59 1n27 h GLU 87 Ca 0.30 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1n27 h GLU 87 Cb 0.27 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1n27 h GLU 87 CO -0.10 0.55 -0.29 0.97 -0.73 0.00 0.00 179.01 179.42 1n27 h ILE 88 N -0.07 1.27 0.00 2.32 2.10 -1.08 -1.64 117.51 120.41 1n27 h ILE 88 Ca 0.03 -1.33 0.00 0.00 1.08 0.00 0.00 64.86 64.64 1n27 h ILE 88 Cb 0.46 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 1n27 h ILE 88 CO 0.01 0.42 0.00 -0.33 -1.08 0.00 0.00 178.15 177.17 1n27 h GLU 89 N 0.42 0.00 0.00 2.19 5.08 -1.06 -3.12 114.58 118.08 1n27 h GLU 89 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1n27 h GLU 89 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1n27 h GLU 89 CO 0.05 0.00 -0.01 0.09 -1.00 0.00 0.00 179.01 178.15 1n27 n ASN 90 N -2.74 0.92 0.16 1.42 3.02 -0.96 -4.89 115.26 112.20 1n27 n ASN 90 Ca -0.01 -1.48 0.13 0.00 -0.03 0.00 0.00 54.58 53.18 1n27 n ASN 90 Cb 0.11 -0.01 0.58 0.00 -0.61 0.00 0.00 39.78 39.85 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 0.00 0.00 0.00 6.41 0.87 -1.25 -3.42 113.55 116.16 1n27 h SER 91 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1n27 h SER 91 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1n27 h SER 91 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1n27 n GLY 92 N -0.52 -0.11 3.59 5.77 0.00 -1.26 -5.10 105.19 107.56 1n27 n GLY 92 Ca 0.00 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 1n27 n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n27 s PRO 93 N 0.00 3.24 0.81 1.61 0.04 -1.26 -4.99 135.00 134.46 1n27 s PRO 93 Ca 0.00 1.36 -0.13 0.00 0.04 0.00 0.00 61.00 62.26 1n27 s PRO 93 Cb 0.00 -4.22 0.09 0.00 0.04 0.00 0.00 34.50 30.40 1n27 s PRO 93 CO 0.00 -1.97 1.21 -1.12 0.04 0.00 0.00 177.00 175.16 1n27 s SER 94 N 6.42 3.52 0.40 6.66 0.01 -1.26 -5.06 113.70 124.40 1n27 s SER 94 Ca 0.79 2.38 0.08 0.00 1.31 0.00 0.00 55.95 60.51 1n27 s SER 94 Cb -0.21 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.37 1n27 s SER 94 CO 0.32 -2.71 0.16 -0.94 0.41 0.00 0.00 173.24 170.48 1n27 s SER 95 N -2.14 4.44 0.00 2.44 1.04 -1.26 -5.29 113.70 112.93 1n27 s SER 95 Ca 0.73 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1n27 s SER 95 Cb -0.29 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.32 1n27 s SER 95 CO 0.51 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.85