#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 3.15 -4.71 1.61 2.88 -1.26 -4.98 113.62 110.30 1n27 n SER 2 Ca 0.00 1.12 -0.31 0.00 -1.33 0.00 0.00 58.87 58.36 1n27 n SER 2 Cb 0.00 -1.47 0.13 0.00 -0.75 0.00 0.00 64.21 62.12 1n27 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1n27 s SER 3 N 0.54 3.58 0.00 -3.46 1.04 -1.26 -5.05 113.70 109.10 1n27 s SER 3 Ca 0.70 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.98 1n27 s SER 3 Cb -0.62 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.06 1n27 s SER 3 CO 0.45 -2.63 0.00 0.61 0.98 0.00 0.00 173.24 172.66 1n27 n GLY 4 N -0.64 3.34 5.02 7.32 0.00 -1.26 -5.06 105.19 113.90 1n27 n GLY 4 Ca 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1n27 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n27 n SER 5 N 0.00 0.00 -4.15 1.61 7.64 -1.26 -4.70 113.62 112.75 1n27 n SER 5 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1n27 n SER 5 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1n27 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1n27 s SER 6 N -0.37 1.14 0.00 6.43 0.01 -1.26 -4.78 113.70 114.87 1n27 s SER 6 Ca 0.00 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.35 1n27 s SER 6 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1n27 s SER 6 CO 0.00 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1n27 n GLY 7 N 0.26 -0.20 3.56 3.44 0.00 -1.26 -5.04 105.19 105.95 1n27 n GLY 7 Ca -0.14 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1n27 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n27 s GLU 8 N -2.00 2.97 0.67 1.61 2.02 -1.26 -5.01 118.70 117.69 1n27 s GLU 8 Ca 0.00 0.61 -0.17 0.00 0.02 0.00 0.00 54.97 55.43 1n27 s GLU 8 Cb 0.00 -4.27 -0.02 0.00 0.10 0.00 0.00 34.13 29.94 1n27 s GLU 8 CO 0.00 -2.33 0.97 0.66 0.02 0.00 0.00 175.26 174.58 1n27 n TYR 9 N 11.22 0.76 -4.24 1.61 4.01 -1.26 -5.06 117.16 124.19 1n27 n TYR 9 Ca 0.17 0.41 -0.14 0.00 -0.16 0.00 0.00 57.90 58.18 1n27 n TYR 9 Cb 0.50 -2.11 -0.10 0.00 -0.31 0.00 0.00 39.34 37.32 1n27 n TYR 9 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1n27 s LYS 10 N -3.09 1.30 0.62 -0.72 1.02 -1.26 -5.07 119.74 112.55 1n27 s LYS 10 Ca 0.75 -1.70 -0.18 0.00 0.02 0.00 0.00 55.97 54.86 1n27 s LYS 10 Cb -0.38 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 1n27 s LYS 10 CO 0.48 -0.37 1.10 0.00 -0.92 0.00 0.00 175.35 175.64 1n27 n ALA 11 N -0.36 0.58 -0.60 5.17 0.00 -1.26 -2.92 120.51 121.12 1n27 n ALA 11 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1n27 n ALA 11 Cb 0.66 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 1.14 1.07 4.00 0.00 0.00 -1.09 -5.03 105.19 105.28 1n27 n GLY 12 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.07 5.33 0.06 1.61 1.01 -1.15 -5.01 116.67 115.46 1n27 s ASP 13 Ca 0.00 -0.66 0.05 0.00 0.71 0.00 0.00 52.55 52.65 1n27 s ASP 13 Cb 0.00 -0.24 -0.03 0.00 1.01 0.00 0.00 42.92 43.66 1n27 s ASP 13 CO 0.00 -0.98 -0.13 -0.76 0.21 0.00 0.00 175.17 173.51 1n27 s LEU 14 N -4.44 2.26 0.16 1.23 1.43 -1.26 -2.05 118.68 116.00 1n27 s LEU 14 Ca 0.56 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 1n27 s LEU 14 Cb -0.07 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 1n27 s LEU 14 CO 0.34 -0.08 0.27 0.68 0.23 0.00 0.00 176.35 177.79 1n27 s VAL 15 N -1.22 0.07 -0.21 -1.59 -7.23 -0.84 -1.68 120.40 107.70 1n27 s VAL 15 Ca -0.03 -1.37 -0.08 0.00 -1.81 0.00 0.00 61.98 58.69 1n27 s VAL 15 Cb -0.10 -1.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1n27 s VAL 15 CO 0.02 -0.33 0.10 -0.36 -0.31 0.00 0.00 175.10 174.21 1n27 s PHE 16 N -3.96 3.25 0.48 2.82 0.08 -1.21 -0.98 117.98 118.46 1n27 s PHE 16 Ca 0.16 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.26 1n27 s PHE 16 Cb 0.03 -2.17 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1n27 s PHE 16 CO -0.01 0.04 0.71 0.00 -0.10 0.00 0.00 175.22 175.85 1n27 s ALA 17 N 0.81 3.77 -0.22 5.36 0.00 0.18 -3.60 121.76 128.07 1n27 s ALA 17 Ca 0.05 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 1n27 s ALA 17 Cb -0.13 -2.14 0.08 0.00 0.00 0.00 0.00 23.12 20.92 1n27 s ALA 17 CO 0.02 -0.49 0.11 0.21 0.00 0.00 0.00 175.76 175.62 1n27 s LYS 18 N -4.62 0.12 0.91 0.00 2.47 -1.23 -0.82 119.74 116.56 1n27 s LYS 18 Ca 0.51 -0.27 -0.12 0.00 -1.56 0.00 0.00 55.97 54.52 1n27 s LYS 18 Cb -0.10 -1.53 0.14 0.00 -1.46 0.00 0.00 37.83 34.87 1n27 s LYS 18 CO 0.38 -0.82 1.12 -1.64 0.16 0.00 0.00 175.35 174.55 1n27 s MET 19 N 2.13 1.15 0.20 4.03 -1.94 -1.26 -4.99 119.30 118.60 1n27 s MET 19 Ca 0.05 0.42 -0.32 0.00 -1.71 0.00 0.00 55.69 54.13 1n27 s MET 19 Cb -0.16 -1.83 -0.12 0.00 2.01 0.00 0.00 34.83 34.73 1n27 s MET 19 CO -0.21 -2.22 1.72 1.17 -0.01 0.00 0.00 175.02 175.47 1n27 n LYS 20 N -3.80 2.73 0.00 2.03 3.00 -1.26 -3.65 118.16 117.20 1n27 n LYS 20 Ca 0.06 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.36 1n27 n LYS 20 Cb 0.58 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 32.78 1n27 n LYS 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n27 n GLY 21 N 3.94 2.36 3.78 3.14 0.00 -1.26 -4.97 105.19 112.18 1n27 n GLY 21 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 2.69 1.02 1.61 2.02 -1.24 -5.09 117.35 118.36 1n27 s TYR 22 Ca 0.00 1.26 -0.16 0.00 -0.37 0.00 0.00 57.07 57.80 1n27 s TYR 22 Cb 0.00 -3.09 0.21 0.00 -0.40 0.00 0.00 41.96 38.67 1n27 s TYR 22 CO 0.00 -1.88 1.21 -1.25 -1.57 0.00 0.00 175.55 172.06 1n27 s PRO 23 N -5.05 0.24 -0.88 -1.71 0.04 -1.26 -4.65 135.00 121.73 1n27 s PRO 23 Ca 0.61 -0.11 -0.26 0.00 0.04 0.00 0.00 61.00 61.28 1n27 s PRO 23 Cb -0.16 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1n27 s PRO 23 CO 0.55 -2.73 2.25 -1.01 0.04 0.00 0.00 177.00 176.11 1n27 s HIS 24 N -3.46 1.32 0.08 0.56 3.76 -1.26 -4.56 115.29 111.73 1n27 s HIS 24 Ca 0.70 1.71 -0.22 0.00 -0.15 0.00 0.00 55.06 57.10 1n27 s HIS 24 Cb -0.09 -3.56 -0.07 0.00 1.11 0.00 0.00 32.58 29.98 1n27 s HIS 24 CO 0.54 -1.44 0.67 -0.46 -0.85 0.00 0.00 174.74 173.20 1n27 s TRP 25 N 14.07 3.80 0.32 1.40 -0.11 0.00 -4.78 118.94 133.65 1n27 s TRP 25 Ca 0.85 1.41 -0.29 0.00 1.22 0.00 0.00 56.10 59.29 1n27 s TRP 25 Cb -0.10 -2.66 -0.11 0.00 -1.50 0.00 0.00 33.47 29.10 1n27 s TRP 25 CO 0.08 0.46 1.46 -1.25 -4.62 0.00 0.00 176.95 173.07 1n27 s PRO 26 N -0.72 4.20 0.18 5.86 0.04 -1.26 -0.64 135.00 142.66 1n27 s PRO 26 Ca 0.33 2.43 -0.06 0.00 0.04 0.00 0.00 61.00 63.74 1n27 s PRO 26 Cb -0.20 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1n27 s PRO 26 CO 0.22 -0.45 0.24 0.00 0.04 0.00 0.00 177.00 177.04 1n27 s ALA 27 N -0.62 0.42 0.20 8.56 0.00 -0.16 -1.33 121.76 128.83 1n27 s ALA 27 Ca 0.56 -1.20 0.08 0.00 0.00 0.00 0.00 51.96 51.40 1n27 s ALA 27 Cb -0.44 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 1n27 s ALA 27 CO 0.53 -0.64 -0.03 -0.98 0.00 0.00 0.00 175.76 174.64 1n27 s ARG 28 N -4.04 2.28 -0.53 0.00 1.70 -0.92 -1.99 118.95 115.44 1n27 s ARG 28 Ca 0.25 -1.24 -0.27 0.00 -0.47 0.00 0.00 55.73 54.00 1n27 s ARG 28 Cb 0.04 -2.25 0.03 0.00 -0.57 0.00 0.00 34.95 32.21 1n27 s ARG 28 CO 0.05 0.42 1.07 0.42 -1.08 0.00 0.00 175.30 176.19 1n27 s ILE 29 N -1.88 4.22 0.45 4.99 -1.09 -0.87 -3.25 121.20 123.76 1n27 s ILE 29 Ca 0.28 0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 59.41 1n27 s ILE 29 Cb -0.08 -4.61 0.10 0.00 -1.58 0.00 0.00 42.46 36.29 1n27 s ILE 29 CO 0.18 -1.14 0.61 -0.67 -1.23 0.00 0.00 174.94 172.69 1n27 n ASP 30 N 7.87 0.08 -3.43 3.58 2.03 -0.69 -2.66 116.55 123.33 1n27 n ASP 30 Ca 0.07 -1.24 -0.20 0.00 0.52 0.00 0.00 54.79 53.94 1n27 n ASP 30 Cb 0.49 -0.46 -0.05 0.00 -0.72 0.00 0.00 41.12 40.37 1n27 n ASP 30 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1n27 n GLU 31 N -2.28 0.75 -3.63 -0.67 2.13 -1.26 -4.38 120.64 111.29 1n27 n GLU 31 Ca 0.08 -2.65 -0.19 0.00 0.66 0.00 0.00 57.16 55.05 1n27 n GLU 31 Cb 0.27 1.29 -0.16 0.00 0.27 0.00 0.00 31.44 33.11 1n27 n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1n27 s LEU 32 N 0.00 0.04 0.55 4.31 1.43 -1.26 -4.99 118.68 118.77 1n27 s LEU 32 Ca 0.13 0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 1n27 s LEU 32 Cb 0.01 0.11 -0.05 0.00 0.03 0.00 0.00 46.19 46.28 1n27 s LEU 32 CO 0.09 -0.28 1.09 -2.16 0.23 0.00 0.00 176.35 175.32 1n27 s PRO 33 N 2.24 3.40 0.00 1.29 0.04 -1.26 -4.90 135.00 135.82 1n27 s PRO 33 Ca 0.04 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1n27 s PRO 33 Cb -0.13 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1n27 s PRO 33 CO -0.07 -0.78 0.34 0.39 0.04 0.00 0.00 177.00 176.93 1n27 n GLU 34 N -1.46 0.49 0.00 4.56 1.02 -1.26 -1.82 120.64 122.16 1n27 n GLU 34 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1n27 n GLU 34 Cb 0.52 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 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 0.46 1.00 4.01 0.62 0.00 -1.26 -5.15 105.19 104.87 1n27 n GLY 35 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 4.34 0.02 4.61 0.00 -0.76 -5.05 121.76 124.92 1n27 s ALA 36 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 51.96 49.84 1n27 s ALA 36 Cb 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 23.12 21.26 1n27 s ALA 36 CO 0.00 -0.83 0.76 0.28 0.00 0.00 0.00 175.76 175.97 1n27 n VAL 37 N -2.29 0.18 -4.96 0.00 0.31 -1.26 -4.97 118.33 105.34 1n27 n VAL 37 Ca 0.13 -0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 64.10 1n27 n VAL 37 Cb 0.60 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.39 1n27 n VAL 37 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1n27 s LYS 38 N -0.09 2.19 0.59 5.55 -2.85 -1.26 -4.94 119.74 118.93 1n27 s LYS 38 Ca 0.67 -0.89 -0.08 0.00 -1.00 0.00 0.00 55.97 54.67 1n27 s LYS 38 Cb -0.93 -2.18 -0.02 0.00 -2.06 0.00 0.00 37.83 32.63 1n27 s LYS 38 CO 0.43 0.57 0.94 -1.25 0.10 0.00 0.00 175.35 176.14 1n27 s PRO 39 N -0.94 3.30 0.74 1.78 0.04 -1.26 -5.06 135.00 133.61 1n27 s PRO 39 Ca 0.12 0.36 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 1n27 s PRO 39 Cb -0.10 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1n27 s PRO 39 CO 0.01 -0.57 1.10 -1.25 0.04 0.00 0.00 177.00 176.34 1n27 s PRO 40 N -5.03 2.40 0.28 0.56 0.04 -1.26 -4.97 135.00 127.00 1n27 s PRO 40 Ca 0.53 0.18 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 1n27 s PRO 40 Cb -0.11 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 1n27 s PRO 40 CO 0.49 -1.27 1.53 0.00 0.04 0.00 0.00 177.00 177.78 1n27 s ALA 41 N -3.41 3.69 -1.34 8.56 0.00 -1.26 -2.96 121.76 125.04 1n27 s ALA 41 Ca 0.60 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 54.01 1n27 s ALA 41 Cb -0.11 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1n27 s ALA 41 CO 0.49 -0.88 0.23 0.09 0.00 0.00 0.00 175.76 175.69 1n27 n ASN 42 N 2.21 -5.08 -4.33 0.00 3.02 -1.26 -5.01 115.26 104.82 1n27 n ASN 42 Ca 0.07 -0.12 -0.17 0.00 -0.03 0.00 0.00 54.58 54.34 1n27 n ASN 42 Cb 0.39 -4.06 -0.10 0.00 -0.61 0.00 0.00 39.78 35.40 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 -5.13 1.38 0.14 3.52 1.02 -1.16 -3.98 119.74 115.52 1n27 s LYS 43 Ca 0.12 -1.73 0.08 0.00 0.02 0.00 0.00 55.97 54.46 1n27 s LYS 43 Cb -0.05 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.79 1n27 s LYS 43 CO 0.14 -0.21 -0.19 0.71 -0.92 0.00 0.00 175.35 174.88 1n27 s TYR 44 N -3.60 1.79 -0.64 3.18 2.02 0.16 -4.83 117.35 115.43 1n27 s TYR 44 Ca 0.33 -0.45 -0.27 0.00 -0.37 0.00 0.00 57.07 56.31 1n27 s TYR 44 Cb 0.07 -0.93 0.01 0.00 -0.40 0.00 0.00 41.96 40.71 1n27 s TYR 44 CO 0.11 0.27 1.45 -1.25 -1.57 0.00 0.00 175.55 174.56 1n27 s PRO 45 N -2.40 3.12 -0.49 -1.71 0.04 -1.26 -2.38 135.00 129.92 1n27 s PRO 45 Ca 0.11 0.21 -0.14 0.00 0.04 0.00 0.00 61.00 61.22 1n27 s PRO 45 Cb -0.08 -4.20 0.10 0.00 0.04 0.00 0.00 34.50 30.36 1n27 s PRO 45 CO 0.05 -2.19 0.41 0.42 0.04 0.00 0.00 177.00 175.74 1n27 s ILE 46 N 6.55 4.98 -0.32 0.56 -1.09 -0.51 -1.70 121.20 129.67 1n27 s ILE 46 Ca 0.48 -1.36 -0.23 0.00 -2.23 0.00 0.00 60.65 57.32 1n27 s ILE 46 Cb -0.10 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1n27 s ILE 46 CO 0.20 -0.70 0.74 0.12 -1.23 0.00 0.00 174.94 174.07 1n27 s PHE 47 N 1.56 3.18 -0.71 3.97 5.36 -1.20 -1.79 117.98 128.35 1n27 s PHE 47 Ca 0.04 0.67 -0.25 0.00 -0.96 0.00 0.00 56.93 56.43 1n27 s PHE 47 Cb -0.26 -3.21 0.05 0.00 -0.34 0.00 0.00 43.02 39.25 1n27 s PHE 47 CO 0.04 -0.60 1.14 -0.06 -1.46 0.00 0.00 175.22 174.28 1n27 s PHE 48 N 2.91 2.48 0.39 10.12 0.40 0.21 -2.17 117.98 132.31 1n27 s PHE 48 Ca 0.30 -0.32 -0.24 0.00 -0.60 0.00 0.00 56.93 56.07 1n27 s PHE 48 Cb -0.14 -4.47 -0.12 0.00 0.51 0.00 0.00 43.02 38.80 1n27 s PHE 48 CO 0.14 -1.87 0.81 1.19 0.70 0.00 0.00 175.22 176.19 1n27 n PHE 49 N 8.56 0.48 0.00 0.36 3.72 -0.44 -0.98 117.46 129.16 1n27 n PHE 49 Ca 0.01 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 58.03 1n27 n PHE 49 Cb 0.47 -2.13 0.00 0.00 -0.94 0.00 0.00 39.48 36.89 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 1.46 1.03 0.27 1.37 0.00 -1.26 -4.13 105.19 103.92 1n27 n GLY 50 Ca 0.11 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 2.61 1.35 -1.71 -3.47 112.91 111.87 1n27 h THR 51 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1n27 h THR 51 Cb 0.00 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1n27 h THR 51 CO 0.00 0.06 0.00 1.41 -0.25 0.00 0.00 175.52 176.74 1n27 n HIS 52 N -3.21 0.00 -0.89 4.73 -0.00 -0.15 -4.96 115.22 110.73 1n27 n HIS 52 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 1n27 n HIS 52 Cb 0.31 -1.55 0.18 0.00 -0.00 0.00 0.00 29.99 28.92 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 -1.19 0.62 -0.02 -0.41 2.02 -1.25 -4.72 118.70 113.75 1n27 s GLU 53 Ca 0.00 1.04 -0.01 0.00 0.02 0.00 0.00 54.97 56.02 1n27 s GLU 53 Cb 0.00 -1.72 0.02 0.00 0.10 0.00 0.00 34.13 32.53 1n27 s GLU 53 CO 0.00 -2.74 0.05 0.95 0.02 0.00 0.00 175.26 173.54 1n27 s THR 54 N -2.72 -0.02 0.00 3.63 -4.23 -1.26 -0.62 115.64 110.42 1n27 s THR 54 Ca 0.66 0.08 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 1n27 s THR 54 Cb -0.21 -0.10 0.01 0.00 1.34 0.00 0.00 72.50 73.54 1n27 s THR 54 CO 0.59 0.03 0.23 0.00 -0.54 0.00 0.00 174.62 174.93 1n27 s ALA 55 N 0.44 -0.53 -0.50 3.99 0.00 -0.74 -5.00 121.76 119.41 1n27 s ALA 55 Ca -0.03 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 1n27 s ALA 55 Cb -0.05 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1n27 s ALA 55 CO -0.01 -0.27 0.80 -0.06 0.00 0.00 0.00 175.76 176.22 1n27 s PHE 56 N -1.63 2.93 0.09 0.00 0.08 -1.26 -1.42 117.98 116.77 1n27 s PHE 56 Ca -0.12 -0.08 0.06 0.00 0.12 0.00 0.00 56.93 56.92 1n27 s PHE 56 Cb -0.05 -3.78 -0.03 0.00 -0.57 0.00 0.00 43.02 38.59 1n27 s PHE 56 CO 0.01 -1.13 -0.16 -0.51 -0.10 0.00 0.00 175.22 173.33 1n27 s LEU 57 N 3.38 2.30 0.40 -0.37 1.43 -1.00 -4.86 118.68 119.97 1n27 s LEU 57 Ca 0.26 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1n27 s LEU 57 Cb -0.14 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.46 1n27 s LEU 57 CO 0.19 -0.05 0.54 -0.83 0.23 0.00 0.00 176.35 176.43 1n27 s GLY 58 N -1.91 1.89 0.49 -3.19 0.00 -1.26 -0.66 107.32 102.69 1n27 s GLY 58 Ca 0.02 -1.64 0.27 0.00 0.00 0.00 0.00 44.72 43.37 1n27 s GLY 58 CO 0.03 -1.48 1.96 -0.56 0.00 0.00 0.00 173.10 173.05 1n27 h PRO 59 N 0.70 0.00 0.00 2.90 0.13 -1.95 -2.35 132.00 131.43 1n27 h PRO 59 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1n27 h PRO 59 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1n27 h PRO 59 CO 0.47 0.15 0.13 1.57 -0.23 0.00 0.00 178.00 180.09 1n27 h LYS 60 N 0.00 0.00 -0.27 0.86 2.10 -1.96 -1.00 116.57 116.31 1n27 h LYS 60 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1n27 h LYS 60 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1n27 h LYS 60 CO 0.02 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.22 1n27 n ASP 61 N -2.86 2.70 -4.69 7.07 8.00 -0.89 -5.00 116.55 120.89 1n27 n ASP 61 Ca -0.02 -1.85 -0.24 0.00 0.71 0.00 0.00 54.79 53.38 1n27 n ASP 61 Cb 0.19 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.03 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 3.09 0.04 0.64 1.43 -0.38 -3.57 118.68 118.93 1n27 s LEU 62 Ca 0.22 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 1n27 s LEU 62 Cb 0.12 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.88 1n27 s LEU 62 CO 0.16 -0.33 0.25 -0.36 0.23 0.00 0.00 176.35 176.31 1n27 s PHE 63 N -2.51 -0.04 0.05 0.29 0.40 -1.24 -4.99 117.98 109.94 1n27 s PHE 63 Ca 0.37 -0.11 -0.31 0.00 -0.60 0.00 0.00 56.93 56.28 1n27 s PHE 63 Cb 0.00 0.04 -0.07 0.00 0.51 0.00 0.00 43.02 43.51 1n27 s PHE 63 CO 0.21 -0.46 1.40 -1.25 0.70 0.00 0.00 175.22 175.82 1n27 s PRO 64 N -2.42 4.30 0.12 0.24 0.04 -1.26 -3.30 135.00 132.71 1n27 s PRO 64 Ca -0.06 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1n27 s PRO 64 Cb -0.02 -3.43 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 1n27 s PRO 64 CO -0.03 -0.51 1.65 -0.92 0.04 0.00 0.00 177.00 177.23 1n27 h TYR 65 N 7.38 -0.61 -0.02 0.56 3.20 -1.62 -2.68 116.97 123.19 1n27 h TYR 65 Ca -0.40 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.49 1n27 h TYR 65 Cb 1.19 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.72 1n27 h TYR 65 CO 0.71 -0.32 0.05 -0.22 -1.64 0.00 0.00 178.16 176.74 1n27 h LYS 66 N -0.39 0.00 0.00 1.82 3.11 -1.93 0.49 116.57 119.67 1n27 h LYS 66 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1n27 h LYS 66 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1n27 h LYS 66 CO -0.17 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 176.86 1n27 n GLU 67 N -3.33 0.00 -0.04 1.90 1.02 -1.09 -4.45 120.64 114.65 1n27 n GLU 67 Ca -0.02 0.44 0.01 0.00 -0.02 0.00 0.00 57.16 57.56 1n27 n GLU 67 Cb 0.13 -1.09 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 1n27 n GLU 67 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n27 n TYR 68 N -1.82 0.10 -0.04 -0.32 4.02 -0.62 -4.31 117.16 114.18 1n27 n TYR 68 Ca 0.00 -0.04 0.23 0.00 -0.01 0.00 0.00 57.90 58.08 1n27 n TYR 68 Cb 0.00 -0.07 0.72 0.00 -0.02 0.00 0.00 39.34 39.96 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 0.26 0.00 0.00 -0.72 3.64 -1.16 0.74 116.57 119.33 1n27 h LYS 69 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1n27 h LYS 69 Cb 0.37 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1n27 h LYS 69 CO 0.02 0.00 -1.89 -0.25 -2.27 0.00 0.00 179.45 175.06 1n27 n ASP 70 N -4.17 2.30 0.47 4.20 9.92 -1.26 -3.47 116.55 124.54 1n27 n ASP 70 Ca 0.12 -0.04 -0.18 0.00 -0.53 0.00 0.00 54.79 54.16 1n27 n ASP 70 Cb 0.74 0.29 -0.09 0.00 -0.64 0.00 0.00 41.12 41.42 1n27 n ASP 70 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1n27 h LYS 71 N 0.00 -1.15 0.00 -1.24 3.11 -1.73 -3.36 116.57 112.19 1n27 h LYS 71 Ca -0.35 0.08 -0.10 0.00 -2.81 0.00 0.00 60.65 57.47 1n27 h LYS 71 Cb 1.67 0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 33.15 1n27 h LYS 71 CO -0.02 -0.77 -0.58 0.74 -2.81 0.00 0.00 179.45 176.01 1n27 h PHE 72 N -1.23 0.00 -0.31 1.91 0.04 -1.16 -3.45 116.94 112.74 1n27 h PHE 72 Ca -0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1n27 h PHE 72 Cb 0.91 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 1n27 h PHE 72 CO 0.02 1.01 0.03 0.20 -0.60 0.00 0.00 178.31 178.96 1n27 s GLY 73 N -4.42 -0.88 0.10 -1.45 0.00 -0.77 -4.82 107.32 95.08 1n27 s GLY 73 Ca -0.21 -0.93 -0.14 0.00 0.00 0.00 0.00 44.72 43.44 1n27 s GLY 73 CO 0.53 4.24 0.34 0.54 0.00 0.00 0.00 173.10 178.75 1n27 s LYS 74 N 8.81 0.96 0.67 2.90 1.02 -1.26 -4.45 119.74 128.40 1n27 s LYS 74 Ca 0.90 -0.71 -0.17 0.00 0.02 0.00 0.00 55.97 56.01 1n27 s LYS 74 Cb -0.11 0.42 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1n27 s LYS 74 CO 0.10 -0.35 1.29 -1.12 -0.92 0.00 0.00 175.35 174.34 1n27 s SER 75 N -2.65 4.42 0.02 2.83 0.01 -1.26 -5.04 113.70 112.04 1n27 s SER 75 Ca 0.02 2.60 0.00 0.00 1.31 0.00 0.00 55.95 59.88 1n27 s SER 75 Cb 0.02 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1n27 s SER 75 CO -0.10 -2.13 -0.04 0.21 0.41 0.00 0.00 173.24 171.59 1n27 s ASN 76 N -1.49 0.37 0.12 2.44 3.84 -1.26 -5.06 114.94 113.90 1n27 s ASN 76 Ca 0.82 -0.50 0.25 0.00 0.21 0.00 0.00 52.86 53.63 1n27 s ASN 76 Cb -0.37 0.08 0.53 0.00 -0.55 0.00 0.00 41.25 40.95 1n27 s ASN 76 CO 0.42 -0.28 1.48 1.17 -2.79 0.00 0.00 177.10 177.10 1n27 n LYS 77 N 1.59 0.24 -1.68 0.43 0.00 -1.26 -4.73 118.16 112.75 1n27 n LYS 77 Ca -0.24 0.10 -0.44 0.00 0.00 0.00 0.00 58.31 57.74 1n27 n LYS 77 Cb 0.55 -1.69 -0.04 0.00 0.00 0.00 0.00 35.03 33.86 1n27 n LYS 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1n27 n ARG 78 N -2.05 2.61 -0.89 1.64 5.12 -1.26 -4.97 116.66 116.86 1n27 n ARG 78 Ca 0.04 0.95 -0.30 0.00 -1.93 0.00 0.00 57.85 56.62 1n27 n ARG 78 Cb 0.42 -2.83 0.17 0.00 -1.16 0.00 0.00 32.46 29.06 1n27 n ARG 78 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1n27 s LYS 79 N 3.08 0.71 0.00 5.56 1.02 -1.26 -3.08 119.74 125.77 1n27 s LYS 79 Ca 0.85 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.91 1n27 s LYS 79 Cb -0.54 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1n27 s LYS 79 CO 0.41 -2.69 0.00 0.41 -0.92 0.00 0.00 175.35 172.56 1n27 n GLY 80 N -0.25 1.02 0.40 -3.33 0.00 -1.26 -4.81 105.19 96.96 1n27 n GLY 80 Ca 0.08 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.28 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 0.55 -0.21 1.61 3.04 -1.88 -0.23 116.94 119.82 1n27 h PHE 81 Ca 0.00 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 1n27 h PHE 81 Cb 0.00 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1n27 h PHE 81 CO 0.00 0.16 -0.01 -0.97 -2.02 0.00 0.00 178.31 175.47 1n27 h ASN 82 N 0.42 0.38 -0.67 0.41 -0.73 -1.85 -0.44 115.58 113.11 1n27 h ASN 82 Ca 0.45 -0.32 0.04 0.00 1.87 0.00 0.00 56.30 58.34 1n27 h ASN 82 Cb 1.10 -0.10 -0.05 0.00 0.27 0.00 0.00 38.32 39.54 1n27 h ASN 82 CO -0.17 0.61 0.40 -0.33 -0.37 0.00 0.00 177.43 177.57 1n27 h GLU 83 N 0.14 0.75 -0.55 6.67 4.39 -1.51 -1.63 114.58 122.83 1n27 h GLU 83 Ca 0.06 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1n27 h GLU 83 Cb 0.42 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1n27 h GLU 83 CO 0.01 0.50 0.23 0.78 -1.16 0.00 0.00 179.01 179.36 1n27 h GLY 84 N 0.77 0.86 2.00 -3.84 0.00 -0.99 -1.10 103.07 100.77 1n27 h GLY 84 Ca 0.28 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1n27 h GLY 84 CO -0.13 0.40 0.00 1.41 0.00 0.00 0.00 176.54 178.22 1n27 h LEU 85 N 0.79 0.00 0.03 3.11 3.38 -0.58 -2.00 115.31 120.04 1n27 h LEU 85 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1n27 h LEU 85 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1n27 h LEU 85 CO -0.02 0.00 -0.01 -0.25 0.09 0.00 0.00 178.44 178.25 1n27 h TRP 86 N 0.00 -0.04 -0.37 1.13 7.01 -0.33 -3.33 115.95 120.03 1n27 h TRP 86 Ca 0.00 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1n27 h TRP 86 Cb 0.55 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 1n27 h TRP 86 CO 0.00 0.63 0.22 0.93 -2.79 0.00 0.00 178.44 177.43 1n27 h GLU 87 N -0.94 0.50 -0.28 2.65 5.08 -1.14 -0.55 114.58 119.91 1n27 h GLU 87 Ca -0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1n27 h GLU 87 Cb 0.68 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1n27 h GLU 87 CO 0.01 0.39 -0.01 0.97 -1.00 0.00 0.00 179.01 179.36 1n27 h ILE 88 N 0.48 1.18 0.18 3.13 2.10 -1.57 0.07 117.51 123.08 1n27 h ILE 88 Ca 0.13 -0.70 -0.01 0.00 1.08 0.00 0.00 64.86 65.36 1n27 h ILE 88 Cb 0.02 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 1n27 h ILE 88 CO -0.02 0.24 -0.09 -0.33 -1.08 0.00 0.00 178.15 176.87 1n27 h GLU 89 N 0.41 -0.23 0.00 2.19 5.08 -1.57 -3.23 114.58 117.23 1n27 h GLU 89 Ca 0.09 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1n27 h GLU 89 Cb 0.30 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1n27 h GLU 89 CO 0.01 0.16 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.15 1n27 h ASN 90 N -0.72 0.00 0.53 1.42 2.35 -0.84 -2.12 115.58 116.21 1n27 h ASN 90 Ca -0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1n27 h ASN 90 Cb 0.50 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1n27 h ASN 90 CO 0.04 0.11 -0.47 0.28 -1.65 0.00 0.00 177.43 175.74 1n27 h SER 91 N 0.00 -1.27 -4.73 5.81 0.02 -1.09 -3.47 113.55 108.82 1n27 h SER 91 Ca -0.00 0.09 -0.31 0.00 -0.84 0.00 0.00 61.79 60.73 1n27 h SER 91 Cb 0.67 0.41 0.06 0.00 0.14 0.00 0.00 62.40 63.67 1n27 h SER 91 CO 0.01 -0.64 0.09 0.61 -1.14 0.00 0.00 176.83 175.76 1n27 n GLY 92 N -1.54 0.58 3.71 -3.77 0.00 -0.80 -4.99 105.19 98.39 1n27 n GLY 92 Ca -0.12 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 -4.26 4.23 0.22 1.61 0.04 -1.26 -4.95 135.00 130.62 1n27 s PRO 93 Ca 0.45 2.31 -0.16 0.00 0.04 0.00 0.00 61.00 63.63 1n27 s PRO 93 Cb -0.02 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.25 1n27 s PRO 93 CO 0.30 -0.61 0.52 -1.54 0.04 0.00 0.00 177.00 175.71 1n27 s SER 94 N 1.45 -0.20 -1.94 6.66 1.04 -1.26 -4.95 113.70 114.49 1n27 s SER 94 Ca 0.70 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1n27 s SER 94 Cb -0.42 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1n27 s SER 94 CO 0.31 -1.10 0.00 -0.24 0.98 0.00 0.00 173.24 173.19 1n27 n SER 95 N -0.36 -5.40 0.00 7.02 2.88 -1.26 -5.21 113.62 111.29 1n27 n SER 95 Ca -0.07 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1n27 n SER 95 Cb 0.62 -4.56 0.00 0.00 -0.75 0.00 0.00 64.21 59.52 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42