#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n27 s SER 2 N 0.00 1.25 -0.40 1.61 0.15 -1.26 -5.08 113.70 109.98 1n27 s SER 2 Ca 0.00 -0.98 0.08 0.00 0.70 0.00 0.00 55.95 55.75 1n27 s SER 2 Cb 0.00 0.07 0.37 0.00 -1.71 0.00 0.00 66.02 64.75 1n27 s SER 2 CO 0.00 -0.42 1.33 -0.24 1.20 0.00 0.00 173.24 175.11 1n27 n SER 3 N 0.02 -1.89 0.00 5.45 2.88 -1.26 -5.06 113.62 113.76 1n27 n SER 3 Ca -0.12 -2.49 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 1n27 n SER 3 Cb 0.60 1.08 0.00 0.00 -0.75 0.00 0.00 64.21 65.14 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 -0.53 0.74 3.77 0.46 0.00 -1.26 -5.09 105.19 103.28 1n27 n GLY 4 Ca -0.04 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 1n27 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n27 s SER 5 N -0.25 4.25 0.12 1.61 0.01 -1.26 -4.90 113.70 113.28 1n27 s SER 5 Ca 0.00 -1.43 -0.32 0.00 1.31 0.00 0.00 55.95 55.51 1n27 s SER 5 Cb 0.00 0.18 -0.12 0.00 0.21 0.00 0.00 66.02 66.30 1n27 s SER 5 CO 0.00 -0.79 1.76 -1.20 0.41 0.00 0.00 173.24 173.42 1n27 n SER 6 N -1.32 3.71 0.00 2.44 7.64 -1.26 -4.83 113.62 120.01 1n27 n SER 6 Ca -0.10 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1n27 n SER 6 Cb 0.66 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1n27 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n27 n GLY 7 N 4.01 0.48 2.56 0.23 0.00 -1.26 -5.08 105.19 106.13 1n27 n GLY 7 Ca 0.18 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 0.14 0.45 0.28 1.61 2.02 -1.26 -5.07 118.70 116.86 1n27 s GLU 8 Ca 0.00 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.75 1n27 s GLU 8 Cb 0.00 -1.41 -0.11 0.00 0.10 0.00 0.00 34.13 32.71 1n27 s GLU 8 CO 0.00 -1.08 1.53 0.71 0.02 0.00 0.00 175.26 176.44 1n27 s TYR 9 N 1.62 2.86 0.16 1.61 2.02 -1.26 -5.04 117.35 119.32 1n27 s TYR 9 Ca 0.12 0.89 0.06 0.00 -0.37 0.00 0.00 57.07 57.77 1n27 s TYR 9 Cb -0.19 -3.97 -0.04 0.00 -0.40 0.00 0.00 41.96 37.36 1n27 s TYR 9 CO -0.22 -3.21 -0.13 0.15 -1.57 0.00 0.00 175.55 170.57 1n27 s LYS 10 N -0.48 1.16 -0.14 -0.62 1.02 -1.26 -5.06 119.74 114.37 1n27 s LYS 10 Ca 0.61 -1.46 -0.33 0.00 0.02 0.00 0.00 55.97 54.82 1n27 s LYS 10 Cb -0.45 -0.90 -0.10 0.00 -0.52 0.00 0.00 37.83 35.85 1n27 s LYS 10 CO 0.46 0.15 1.99 0.00 -0.92 0.00 0.00 175.35 177.03 1n27 n ALA 11 N -0.09 1.09 0.00 5.17 0.00 -1.26 -1.07 120.51 124.35 1n27 n ALA 11 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1n27 n ALA 11 Cb 0.60 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 4.94 3.11 3.76 0.00 0.00 -0.78 -4.92 105.19 111.30 1n27 n GLY 12 Ca 0.26 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.13 4.36 0.02 1.61 1.01 -0.23 -4.83 116.67 118.47 1n27 s ASP 13 Ca 0.00 1.78 0.08 0.00 0.71 0.00 0.00 52.55 55.11 1n27 s ASP 13 Cb 0.00 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1n27 s ASP 13 CO 0.00 -2.12 -0.22 -0.76 0.21 0.00 0.00 175.17 172.28 1n27 s LEU 14 N -5.97 2.39 0.20 1.23 1.43 -1.26 -1.37 118.68 115.34 1n27 s LEU 14 Ca 0.61 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 1n27 s LEU 14 Cb -0.17 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 1n27 s LEU 14 CO 0.56 0.28 0.32 0.68 0.23 0.00 0.00 176.35 178.41 1n27 s VAL 15 N -0.82 0.03 -0.20 -1.59 -7.23 -0.28 -1.82 120.40 108.50 1n27 s VAL 15 Ca 0.13 -1.54 -0.08 0.00 -1.81 0.00 0.00 61.98 58.68 1n27 s VAL 15 Cb -0.10 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1n27 s VAL 15 CO 0.03 -0.13 0.08 -0.36 -0.31 0.00 0.00 175.10 174.40 1n27 s PHE 16 N -4.03 3.24 0.47 2.82 0.40 -0.38 -1.43 117.98 119.08 1n27 s PHE 16 Ca 0.24 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 1n27 s PHE 16 Cb 0.03 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.44 1n27 s PHE 16 CO 0.06 0.10 0.70 0.00 0.70 0.00 0.00 175.22 176.77 1n27 s ALA 17 N 0.58 3.77 -0.23 5.36 0.00 -0.17 -1.58 121.76 129.49 1n27 s ALA 17 Ca 0.04 -1.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1n27 s ALA 17 Cb -0.13 -2.14 0.10 0.00 0.00 0.00 0.00 23.12 20.95 1n27 s ALA 17 CO 0.01 -0.46 0.20 0.21 0.00 0.00 0.00 175.76 175.73 1n27 s LYS 18 N -4.60 0.20 0.68 0.00 2.47 -1.18 -0.90 119.74 116.40 1n27 s LYS 18 Ca 0.50 -0.03 -0.11 0.00 -1.56 0.00 0.00 55.97 54.77 1n27 s LYS 18 Cb -0.10 -1.19 -0.00 0.00 -1.46 0.00 0.00 37.83 35.08 1n27 s LYS 18 CO 0.38 -0.79 1.06 -1.64 0.16 0.00 0.00 175.35 174.52 1n27 s MET 19 N 2.27 3.09 0.35 4.03 -1.94 -1.26 -4.96 119.30 120.86 1n27 s MET 19 Ca 0.07 0.71 -0.29 0.00 -1.71 0.00 0.00 55.69 54.47 1n27 s MET 19 Cb -0.15 -2.03 -0.11 0.00 2.01 0.00 0.00 34.83 34.55 1n27 s MET 19 CO -0.20 -0.93 1.43 0.15 -0.01 0.00 0.00 175.02 175.46 1n27 s LYS 20 N -5.19 4.20 0.00 2.03 1.02 -1.26 -2.84 119.74 117.70 1n27 s LYS 20 Ca 0.57 2.43 0.00 0.00 0.02 0.00 0.00 55.97 58.99 1n27 s LYS 20 Cb -0.12 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1n27 s LYS 20 CO 0.54 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.96 1n27 n GLY 21 N 0.80 1.14 3.76 -3.33 0.00 -1.26 -4.98 105.19 101.31 1n27 n GLY 21 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 2.46 1.07 1.61 2.02 -1.13 -5.07 117.35 118.31 1n27 s TYR 22 Ca 0.00 1.58 -0.18 0.00 -0.37 0.00 0.00 57.07 58.11 1n27 s TYR 22 Cb 0.00 -3.08 0.24 0.00 -0.40 0.00 0.00 41.96 38.72 1n27 s TYR 22 CO 0.00 -1.92 1.24 -1.25 -1.57 0.00 0.00 175.55 172.05 1n27 s PRO 23 N -4.87 -0.21 -0.93 -1.71 0.04 -1.26 -4.62 135.00 121.44 1n27 s PRO 23 Ca 0.62 -0.31 -0.24 0.00 0.04 0.00 0.00 61.00 61.11 1n27 s PRO 23 Cb -0.18 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1n27 s PRO 23 CO 0.56 -3.00 1.87 -1.01 0.04 0.00 0.00 177.00 175.47 1n27 s HIS 24 N -3.55 1.92 0.14 0.56 3.76 -1.26 -4.50 115.29 112.36 1n27 s HIS 24 Ca 0.73 0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 55.76 1n27 s HIS 24 Cb -0.06 -4.14 -0.07 0.00 1.11 0.00 0.00 32.58 29.43 1n27 s HIS 24 CO 0.54 -1.76 0.93 -0.46 -0.85 0.00 0.00 174.74 173.14 1n27 s TRP 25 N 9.34 3.86 0.04 1.40 -0.11 -0.08 -4.81 118.94 128.57 1n27 s TRP 25 Ca 0.66 1.79 -0.30 0.00 1.22 0.00 0.00 56.10 59.47 1n27 s TRP 25 Cb -0.06 -3.00 -0.07 0.00 -1.50 0.00 0.00 33.47 28.85 1n27 s TRP 25 CO -0.02 0.30 1.59 -1.25 -4.62 0.00 0.00 176.95 172.95 1n27 s PRO 26 N -0.38 4.22 0.17 5.86 0.04 -1.26 -1.00 135.00 142.65 1n27 s PRO 26 Ca 0.44 2.23 -0.06 0.00 0.04 0.00 0.00 61.00 63.65 1n27 s PRO 26 Cb -0.24 -3.64 -0.02 0.00 0.04 0.00 0.00 34.50 30.64 1n27 s PRO 26 CO 0.30 -0.71 0.22 0.00 0.04 0.00 0.00 177.00 176.85 1n27 s ALA 27 N 2.74 0.40 0.21 8.56 0.00 -0.51 -2.04 121.76 131.11 1n27 s ALA 27 Ca 0.71 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 51.58 1n27 s ALA 27 Cb -0.37 0.98 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 1n27 s ALA 27 CO 0.31 -0.62 -0.15 -0.98 0.00 0.00 0.00 175.76 174.31 1n27 s ARG 28 N -4.03 1.35 -0.48 0.00 1.70 -0.19 -1.12 118.95 116.18 1n27 s ARG 28 Ca 0.23 -1.59 -0.24 0.00 -0.47 0.00 0.00 55.73 53.66 1n27 s ARG 28 Cb 0.05 -1.19 0.03 0.00 -0.57 0.00 0.00 34.95 33.26 1n27 s ARG 28 CO 0.04 0.20 0.89 0.42 -1.08 0.00 0.00 175.30 175.77 1n27 s ILE 29 N -2.86 4.49 1.06 4.99 -1.09 -0.47 -1.98 121.20 125.34 1n27 s ILE 29 Ca 0.23 0.54 -0.16 0.00 -2.23 0.00 0.00 60.65 59.02 1n27 s ILE 29 Cb -0.02 -4.43 0.22 0.00 -1.58 0.00 0.00 42.46 36.65 1n27 s ILE 29 CO 0.07 -0.88 1.16 -0.62 -1.23 0.00 0.00 174.94 173.44 1n27 s ASP 30 N 2.39 2.22 0.00 3.58 2.15 -0.67 -1.86 116.67 124.48 1n27 s ASP 30 Ca 0.33 0.70 0.00 0.00 0.43 0.00 0.00 52.55 54.01 1n27 s ASP 30 Cb -0.11 -1.03 0.00 0.00 -0.30 0.00 0.00 42.92 41.48 1n27 s ASP 30 CO 0.24 -3.33 0.00 1.21 -0.17 0.00 0.00 175.17 173.12 1n27 n GLU 31 N -4.24 2.30 -4.31 4.34 2.13 -1.26 -4.29 120.64 115.31 1n27 n GLU 31 Ca 0.11 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.75 1n27 n GLU 31 Cb 0.59 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.17 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 2.12 0.98 4.31 1.02 -1.26 -4.89 118.68 120.97 1n27 s LEU 32 Ca 0.00 -0.36 -0.14 0.00 0.02 0.00 0.00 54.13 53.66 1n27 s LEU 32 Cb 0.00 -0.48 0.06 0.00 0.02 0.00 0.00 46.19 45.79 1n27 s LEU 32 CO 0.00 0.03 0.40 -2.65 0.02 0.00 0.00 176.35 174.15 1n27 n PRO 33 N 2.20 -0.58 0.00 1.29 -0.02 -1.26 -4.87 135.00 131.76 1n27 n PRO 33 Ca -0.17 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 1n27 n PRO 33 Cb 0.56 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1n27 n PRO 33 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1n27 n GLU 34 N -2.02 0.84 -2.91 -0.52 2.13 -1.26 -4.15 120.64 112.76 1n27 n GLU 34 Ca 0.06 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.91 1n27 n GLU 34 Cb 0.55 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.91 1n27 n GLU 34 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1n27 s GLY 35 N -0.32 -1.36 0.00 8.31 0.00 -1.26 -5.18 107.32 107.51 1n27 s GLY 35 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.13 1n27 s GLY 35 CO 0.00 4.20 0.00 0.00 0.00 0.00 0.00 173.10 177.30 1n27 n ALA 36 N 4.15 0.00 -0.68 3.20 0.00 -1.26 -5.14 120.51 120.78 1n27 n ALA 36 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1n27 n ALA 36 Cb 0.61 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.25 1n27 n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n27 s VAL 37 N -2.88 2.12 0.04 0.00 1.01 -1.26 -5.09 120.40 114.34 1n27 s VAL 37 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1n27 s VAL 37 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1n27 s VAL 37 CO 0.00 -0.05 -0.12 -1.59 0.00 0.00 0.00 175.10 173.35 1n27 s LYS 38 N -4.61 0.76 1.11 2.72 0.00 -1.26 -4.92 119.74 113.54 1n27 s LYS 38 Ca 0.67 -0.73 -0.12 0.00 0.00 0.00 0.00 55.97 55.79 1n27 s LYS 38 Cb -0.23 -0.71 0.25 0.00 0.00 0.00 0.00 37.83 37.15 1n27 s LYS 38 CO 0.60 0.17 1.05 -2.14 0.00 0.00 0.00 175.35 175.03 1n27 s PRO 39 N -1.25 -0.52 0.77 1.78 0.02 -1.26 -5.02 135.00 129.53 1n27 s PRO 39 Ca -0.02 0.96 -0.12 0.00 0.02 0.00 0.00 61.00 61.85 1n27 s PRO 39 Cb -0.08 -1.59 0.06 0.00 0.02 0.00 0.00 34.50 32.91 1n27 s PRO 39 CO 0.01 -3.49 1.12 -2.14 -0.33 0.00 0.00 177.00 172.17 1n27 s PRO 40 N -4.52 2.12 0.19 5.54 0.02 -1.26 -4.98 135.00 132.12 1n27 s PRO 40 Ca 0.68 1.34 -0.31 0.00 0.02 0.00 0.00 61.00 62.72 1n27 s PRO 40 Cb -0.24 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.30 1n27 s PRO 40 CO 0.63 -1.77 1.56 0.00 -0.33 0.00 0.00 177.00 177.09 1n27 s ALA 41 N -2.66 3.77 -1.21 -1.55 0.00 -1.26 -2.23 121.76 116.61 1n27 s ALA 41 Ca 0.65 1.39 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1n27 s ALA 41 Cb -0.20 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.30 1n27 s ALA 41 CO 0.52 -0.80 0.00 0.09 0.00 0.00 0.00 175.76 175.58 1n27 n ASN 42 N 3.62 -5.29 -4.61 0.00 4.13 -1.26 -5.01 115.26 106.83 1n27 n ASN 42 Ca 0.13 0.28 -0.24 0.00 1.68 0.00 0.00 54.58 56.43 1n27 n ASN 42 Cb 0.38 -3.79 -0.08 0.00 -1.54 0.00 0.00 39.78 34.75 1n27 n ASN 42 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1n27 s LYS 43 N -2.86 2.19 0.16 3.52 1.02 -0.95 -4.33 119.74 118.49 1n27 s LYS 43 Ca 0.00 -1.45 0.10 0.00 0.02 0.00 0.00 55.97 54.64 1n27 s LYS 43 Cb 0.00 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 1n27 s LYS 43 CO 0.00 0.37 -0.22 0.71 -0.92 0.00 0.00 175.35 175.29 1n27 s TYR 44 N -2.28 2.03 -0.52 3.18 2.02 -0.88 -4.58 117.35 116.32 1n27 s TYR 44 Ca 0.30 -0.41 -0.28 0.00 -0.37 0.00 0.00 57.07 56.32 1n27 s TYR 44 Cb -0.06 -1.04 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 1n27 s TYR 44 CO 0.19 0.36 1.59 -1.25 -1.57 0.00 0.00 175.55 174.86 1n27 s PRO 45 N -2.47 3.18 -0.22 -1.71 0.04 -1.26 -3.01 135.00 129.55 1n27 s PRO 45 Ca 0.15 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 61.73 1n27 s PRO 45 Cb -0.08 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 1n27 s PRO 45 CO 0.07 -2.07 0.47 0.42 0.04 0.00 0.00 177.00 175.93 1n27 s ILE 46 N 6.85 5.13 -0.32 0.56 -1.09 -0.14 -1.67 121.20 130.52 1n27 s ILE 46 Ca 0.62 0.84 -0.11 0.00 -2.23 0.00 0.00 60.65 59.76 1n27 s ILE 46 Cb -0.14 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1n27 s ILE 46 CO 0.26 0.18 0.20 0.12 -1.23 0.00 0.00 174.94 174.47 1n27 s PHE 47 N 1.71 3.20 -0.33 3.97 5.36 -0.84 -1.25 117.98 129.80 1n27 s PHE 47 Ca 0.21 -0.33 -0.29 0.00 -0.96 0.00 0.00 56.93 55.57 1n27 s PHE 47 Cb -0.15 -2.41 0.02 0.00 -0.34 0.00 0.00 43.02 40.13 1n27 s PHE 47 CO 0.09 -0.38 1.06 -0.06 -1.46 0.00 0.00 175.22 174.47 1n27 s PHE 48 N 1.68 3.12 0.56 10.12 0.40 -0.40 -1.02 117.98 132.45 1n27 s PHE 48 Ca 0.06 1.12 -0.20 0.00 -0.60 0.00 0.00 56.93 57.31 1n27 s PHE 48 Cb -0.17 -3.73 -0.05 0.00 0.51 0.00 0.00 43.02 39.58 1n27 s PHE 48 CO 0.09 -0.80 1.21 -0.06 0.70 0.00 0.00 175.22 176.35 1n27 s PHE 49 N 3.69 2.48 0.00 0.36 0.08 -0.87 -0.59 117.98 123.13 1n27 s PHE 49 Ca 0.45 1.50 0.00 0.00 0.12 0.00 0.00 56.93 59.00 1n27 s PHE 49 Cb -0.12 -3.48 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 1n27 s PHE 49 CO 0.17 -2.12 0.00 0.41 -0.10 0.00 0.00 175.22 173.57 1n27 n GLY 50 N 0.49 0.87 0.08 4.36 0.00 -1.26 -4.16 105.19 105.57 1n27 n GLY 50 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 1.04 -0.26 2.61 1.35 -1.92 -3.46 112.91 112.28 1n27 h THR 51 Ca 0.00 -2.72 -0.11 0.00 -0.55 0.00 0.00 66.41 63.03 1n27 h THR 51 Cb 0.00 2.47 -0.04 0.00 -1.73 0.00 0.00 68.15 68.85 1n27 h THR 51 CO 0.00 0.60 -0.10 1.41 -0.25 0.00 0.00 175.52 177.17 1n27 n HIS 52 N -3.13 0.00 -1.61 4.73 -0.00 0.24 -5.01 115.22 110.44 1n27 n HIS 52 Ca -0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.33 1n27 n HIS 52 Cb 0.93 -1.82 0.05 0.00 -0.00 0.00 0.00 29.99 29.15 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 -2.07 3.02 0.11 -0.41 2.02 -1.25 -4.84 118.70 115.27 1n27 s GLU 53 Ca 0.00 0.92 0.09 0.00 0.02 0.00 0.00 54.97 56.01 1n27 s GLU 53 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1n27 s GLU 53 CO 0.00 -1.03 -0.24 0.95 0.02 0.00 0.00 175.26 174.96 1n27 s THR 54 N -3.07 1.97 0.34 3.63 -4.23 -1.26 -1.27 115.64 111.75 1n27 s THR 54 Ca 0.58 -1.62 -0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1n27 s THR 54 Cb -0.14 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 71.96 1n27 s THR 54 CO 0.55 0.03 0.53 0.00 -0.54 0.00 0.00 174.62 175.19 1n27 s ALA 55 N -1.09 0.42 -0.17 3.99 0.00 -0.38 -5.01 121.76 119.52 1n27 s ALA 55 Ca 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1n27 s ALA 55 Cb -0.10 1.07 0.01 0.00 0.00 0.00 0.00 23.12 24.09 1n27 s ALA 55 CO 0.05 -0.83 -0.16 -0.06 0.00 0.00 0.00 175.76 174.76 1n27 s PHE 56 N -3.03 2.79 0.22 0.00 0.08 -1.26 -0.96 117.98 115.82 1n27 s PHE 56 Ca 0.27 -1.26 0.11 0.00 0.12 0.00 0.00 56.93 56.17 1n27 s PHE 56 Cb -0.01 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1n27 s PHE 56 CO 0.18 -0.61 -0.20 -0.51 -0.10 0.00 0.00 175.22 173.97 1n27 s LEU 57 N 1.07 2.50 0.55 -0.37 1.43 -1.16 -4.91 118.68 117.78 1n27 s LEU 57 Ca -0.01 -0.94 -0.07 0.00 -1.03 0.00 0.00 54.13 52.09 1n27 s LEU 57 Cb -0.14 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 1n27 s LEU 57 CO -0.05 0.03 0.88 -0.83 0.23 0.00 0.00 176.35 176.61 1n27 s GLY 58 N -3.01 1.56 0.59 -3.19 0.00 -1.26 -2.07 107.32 99.94 1n27 s GLY 58 Ca 0.23 -0.46 0.37 0.00 0.00 0.00 0.00 44.72 44.86 1n27 s GLY 58 CO 0.10 -0.23 2.16 -0.56 0.00 0.00 0.00 173.10 174.57 1n27 h PRO 59 N -0.03 0.00 0.00 2.90 0.13 -1.94 -1.29 132.00 131.77 1n27 h PRO 59 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1n27 h PRO 59 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1n27 h PRO 59 CO 0.62 0.02 -0.00 0.87 -0.23 0.00 0.00 178.00 179.28 1n27 h LYS 60 N 0.00 0.00 -0.00 0.86 6.56 -1.94 -1.74 116.57 120.31 1n27 h LYS 60 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1n27 h LYS 60 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1n27 h LYS 60 CO 0.00 0.00 -0.44 -0.25 -2.06 0.00 0.00 179.45 176.71 1n27 n ASP 61 N -3.62 0.44 -4.57 0.86 9.92 -0.49 -4.99 116.55 114.12 1n27 n ASP 61 Ca -0.03 -0.17 -0.24 0.00 -0.53 0.00 0.00 54.79 53.83 1n27 n ASP 61 Cb 0.09 0.16 -0.09 0.00 -0.64 0.00 0.00 41.12 40.64 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 -2.99 2.90 0.01 0.64 1.43 -0.65 -3.08 118.68 116.94 1n27 s LEU 62 Ca 0.12 -0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1n27 s LEU 62 Cb 0.18 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 1n27 s LEU 62 CO 0.68 -0.01 -0.00 -0.36 0.23 0.00 0.00 176.35 176.89 1n27 s PHE 63 N -2.43 0.16 0.07 0.29 0.08 -0.62 -4.97 117.98 110.56 1n27 s PHE 63 Ca 0.31 -0.32 -0.31 0.00 0.12 0.00 0.00 56.93 56.73 1n27 s PHE 63 Cb -0.05 -0.12 -0.08 0.00 -0.57 0.00 0.00 43.02 42.20 1n27 s PHE 63 CO 0.18 -0.14 1.52 -1.25 -0.10 0.00 0.00 175.22 175.43 1n27 s PRO 64 N -1.01 4.25 0.15 0.24 0.04 -1.26 -1.24 135.00 136.16 1n27 s PRO 64 Ca -0.11 2.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.91 1n27 s PRO 64 Cb -0.07 -3.46 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1n27 s PRO 64 CO -0.00 -0.62 1.65 -0.92 0.04 0.00 0.00 177.00 177.15 1n27 h TYR 65 N 7.69 -0.46 0.00 0.56 3.20 -1.65 -2.50 116.97 123.81 1n27 h TYR 65 Ca -0.41 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.49 1n27 h TYR 65 Cb 1.20 0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.70 1n27 h TYR 65 CO 0.73 -0.25 0.00 1.63 -1.64 0.00 0.00 178.16 178.63 1n27 n LYS 66 N -5.33 0.12 -0.04 1.82 4.76 -1.26 -0.62 118.16 117.61 1n27 n LYS 66 Ca -0.01 0.21 -0.03 0.00 -2.87 0.00 0.00 58.31 55.61 1n27 n LYS 66 Cb 0.25 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.93 1n27 n LYS 66 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1n27 n GLU 67 N -1.32 0.26 0.00 1.97 0.00 -0.99 -4.72 120.64 115.84 1n27 n GLU 67 Ca 0.04 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.53 1n27 n GLU 67 Cb 0.09 -1.20 0.02 0.00 0.00 0.00 0.00 31.44 30.35 1n27 n GLU 67 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1n27 n TYR 68 N -3.56 0.00 0.32 4.31 4.02 -0.91 -4.39 117.16 116.95 1n27 n TYR 68 Ca -0.05 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.00 1n27 n TYR 68 Cb 0.18 0.00 0.84 0.00 -0.02 0.00 0.00 39.34 40.34 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 0.00 0.00 0.00 -0.72 3.64 -1.11 0.25 116.57 118.63 1n27 h LYS 69 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1n27 h LYS 69 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1n27 h LYS 69 CO 0.00 0.00 -1.16 -0.25 -2.27 0.00 0.00 179.45 175.77 1n27 n ASP 70 N -2.96 4.22 0.11 4.20 8.00 -1.26 -3.54 116.55 125.32 1n27 n ASP 70 Ca -0.01 -0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 1n27 n ASP 70 Cb 0.38 0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 41.77 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 -0.19 0.05 -1.24 3.64 -1.75 -3.29 116.57 113.78 1n27 h LYS 71 Ca -0.06 0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 58.99 1n27 h LYS 71 Cb 1.13 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1n27 h LYS 71 CO -0.00 -0.08 -1.98 1.19 -2.27 0.00 0.00 179.45 176.31 1n27 n PHE 72 N -5.15 0.88 -2.18 1.91 3.72 0.04 -4.74 117.46 111.95 1n27 n PHE 72 Ca -0.09 0.24 -0.31 0.00 -0.05 0.00 0.00 57.45 57.25 1n27 n PHE 72 Cb 0.13 -1.14 -0.05 0.00 -0.94 0.00 0.00 39.48 37.48 1n27 n PHE 72 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1n27 s GLY 73 N -5.50 0.48 -0.02 1.37 0.00 -1.02 -4.87 107.32 97.77 1n27 s GLY 73 Ca -0.16 -2.32 -0.02 0.00 0.00 0.00 0.00 44.72 42.22 1n27 s GLY 73 CO 0.78 3.38 0.06 0.54 0.00 0.00 0.00 173.10 177.86 1n27 s LYS 74 N 5.99 0.16 -0.51 2.90 -0.14 -1.26 -4.52 119.74 122.35 1n27 s LYS 74 Ca 0.65 -0.07 -0.29 0.00 -1.36 0.00 0.00 55.97 54.90 1n27 s LYS 74 Cb 0.00 0.07 -0.10 0.00 -1.68 0.00 0.00 37.83 36.11 1n27 s LYS 74 CO 0.12 -0.03 2.39 0.43 -0.76 0.00 0.00 175.35 177.51 1n27 n SER 75 N 2.65 2.04 -4.84 2.83 7.64 -1.26 -4.95 113.62 117.74 1n27 n SER 75 Ca -0.15 -0.09 -0.33 0.00 1.01 0.00 0.00 58.87 59.31 1n27 n SER 75 Cb 0.58 -1.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.33 1n27 n SER 75 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1n27 s ASN 76 N 10.08 6.83 0.23 6.43 3.84 -1.26 -4.99 114.94 136.11 1n27 s ASN 76 Ca 1.08 1.48 -0.11 0.00 0.21 0.00 0.00 52.86 55.53 1n27 s ASN 76 Cb -0.54 -2.46 0.33 0.00 -0.55 0.00 0.00 41.25 38.04 1n27 s ASN 76 CO 0.36 -0.31 1.61 0.11 -2.79 0.00 0.00 177.10 176.09 1n27 h LYS 77 N 1.96 0.02 -6.86 0.43 1.79 -2.01 -3.40 116.57 108.50 1n27 h LYS 77 Ca -0.48 -0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.44 1n27 h LYS 77 Cb 1.18 -0.01 0.11 0.00 -1.58 0.00 0.00 32.23 31.93 1n27 h LYS 77 CO 0.63 0.02 0.71 0.54 -1.08 0.00 0.00 179.45 180.26 1n27 n ARG 78 N -5.45 2.51 -1.25 3.15 5.12 -1.26 -4.98 116.66 114.50 1n27 n ARG 78 Ca 0.11 0.88 -0.29 0.00 -1.93 0.00 0.00 57.85 56.62 1n27 n ARG 78 Cb 0.40 -2.57 0.19 0.00 -1.16 0.00 0.00 32.46 29.32 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 -1.85 0.06 1.60 5.56 -0.14 -1.26 -2.92 119.74 120.80 1n27 s LYS 79 Ca 0.55 0.25 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 1n27 s LYS 79 Cb -0.51 -1.72 0.00 0.00 -1.68 0.00 0.00 37.83 33.92 1n27 s LYS 79 CO 0.62 -2.92 0.00 0.41 -0.76 0.00 0.00 175.35 172.70 1n27 n GLY 80 N -1.39 0.76 0.23 -3.33 0.00 -1.26 -4.77 105.19 95.43 1n27 n GLY 80 Ca 0.08 0.53 -0.00 0.00 0.00 0.00 0.00 46.02 46.63 1n27 n GLY 80 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n27 n PHE 81 N 0.00 0.04 0.30 1.61 -0.00 -1.15 -0.20 117.46 118.06 1n27 n PHE 81 Ca 0.00 0.75 0.18 0.00 -0.00 0.00 0.00 57.45 58.38 1n27 n PHE 81 Cb 0.00 -0.74 0.99 0.00 -0.00 0.00 0.00 39.48 39.72 1n27 n PHE 81 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1n27 h ASN 82 N 0.00 0.00 0.36 -2.13 2.35 -1.78 -0.47 115.58 113.90 1n27 h ASN 82 Ca 0.22 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1n27 h ASN 82 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1n27 h ASN 82 CO -0.61 0.00 -0.17 -0.33 -1.65 0.00 0.00 177.43 174.67 1n27 h GLU 83 N 0.00 -0.46 -0.12 0.81 4.39 -0.94 -3.22 114.58 115.03 1n27 h GLU 83 Ca 0.01 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.78 1n27 h GLU 83 Cb 0.09 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1n27 h GLU 83 CO -0.00 -0.17 0.11 0.78 -1.16 0.00 0.00 179.01 178.57 1n27 h GLY 84 N -1.00 0.00 0.81 -3.84 0.00 -1.39 0.08 103.07 97.73 1n27 h GLY 84 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1n27 h GLY 84 CO 0.08 0.00 0.02 1.41 0.00 0.00 0.00 176.54 178.05 1n27 h LEU 85 N 0.00 0.13 -0.90 3.11 3.38 -1.23 -0.90 115.31 118.89 1n27 h LEU 85 Ca 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1n27 h LEU 85 Cb 0.27 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1n27 h LEU 85 CO -0.00 0.32 0.54 -0.25 0.09 0.00 0.00 178.44 179.14 1n27 h TRP 86 N -0.07 1.19 0.15 1.13 7.01 -1.04 -1.86 115.95 122.46 1n27 h TRP 86 Ca 0.03 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1n27 h TRP 86 Cb 0.24 -0.39 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1n27 h TRP 86 CO 0.00 0.79 -0.07 0.93 -2.79 0.00 0.00 178.44 177.30 1n27 h GLU 87 N 1.24 -0.20 0.00 2.65 5.08 -1.16 -1.41 114.58 120.78 1n27 h GLU 87 Ca 0.32 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1n27 h GLU 87 Cb -0.05 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1n27 h GLU 87 CO -0.06 -0.07 -0.31 0.97 -1.00 0.00 0.00 179.01 178.54 1n27 h ILE 88 N -0.29 1.16 -0.05 3.13 2.10 -1.09 -1.48 117.51 121.00 1n27 h ILE 88 Ca -0.02 -1.08 -0.10 0.00 1.08 0.00 0.00 64.86 64.74 1n27 h ILE 88 Cb 0.22 1.59 -0.01 0.00 -1.09 0.00 0.00 36.82 37.53 1n27 h ILE 88 CO 0.03 0.30 -0.42 -0.33 -1.08 0.00 0.00 178.15 176.66 1n27 h GLU 89 N 0.00 0.10 -1.18 2.19 5.08 -1.08 -3.08 114.58 116.60 1n27 h GLU 89 Ca -0.00 -0.04 -0.53 0.00 -1.00 0.00 0.00 59.36 57.78 1n27 h GLU 89 Cb 0.57 -0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.58 1n27 h GLU 89 CO 0.04 0.50 0.69 0.09 -1.00 0.00 0.00 179.01 179.33 1n27 n ASN 90 N -4.03 6.95 -3.71 1.42 3.02 -0.55 -4.74 115.26 113.62 1n27 n ASN 90 Ca -0.02 -3.50 -0.16 0.00 -0.03 0.00 0.00 54.58 50.88 1n27 n ASN 90 Cb 0.46 -0.99 -0.15 0.00 -0.61 0.00 0.00 39.78 38.49 1n27 n ASN 90 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1n27 s SER 91 N -1.05 0.36 0.00 6.41 0.01 -1.17 -5.00 113.70 113.26 1n27 s SER 91 Ca 0.52 0.26 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1n27 s SER 91 Cb 0.41 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1n27 s SER 91 CO -0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1n27 n GLY 92 N 4.73 0.19 3.55 3.44 0.00 -1.26 -4.92 105.19 110.92 1n27 n GLY 92 Ca -0.16 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 1n27 n GLY 92 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1n27 s PRO 93 N 0.00 2.36 -0.70 1.61 0.02 -1.26 -4.93 135.00 132.10 1n27 s PRO 93 Ca 0.00 1.18 -0.27 0.00 0.02 0.00 0.00 61.00 61.93 1n27 s PRO 93 Cb 0.00 -4.50 0.02 0.00 0.02 0.00 0.00 34.50 30.04 1n27 s PRO 93 CO 0.00 -3.00 1.41 -1.12 -0.33 0.00 0.00 177.00 173.96 1n27 s SER 94 N 10.49 5.97 -1.46 2.53 0.01 -1.26 -4.34 113.70 125.63 1n27 s SER 94 Ca 0.87 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.90 1n27 s SER 94 Cb -0.16 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1n27 s SER 94 CO 0.25 -1.95 0.09 -1.20 0.41 0.00 0.00 173.24 170.84 1n27 n SER 95 N 10.12 -5.06 0.00 2.44 7.64 -1.26 -5.20 113.62 122.29 1n27 n SER 95 Ca 0.07 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1n27 n SER 95 Cb 0.50 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.47 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64