#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 1.80 -0.29 1.61 0.15 -1.26 -5.15 113.70 110.57 1n27 s SER 2 Ca 0.00 -1.07 -0.14 0.00 0.70 0.00 0.00 55.95 55.43 1n27 s SER 2 Cb 0.00 -0.00 0.13 0.00 -1.71 0.00 0.00 66.02 64.43 1n27 s SER 2 CO 0.00 -0.38 0.81 -0.55 1.20 0.00 0.00 173.24 174.31 1n27 s SER 3 N -3.21 -0.82 0.51 5.45 0.15 -1.26 -5.06 113.70 109.45 1n27 s SER 3 Ca 0.20 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1n27 s SER 3 Cb 0.03 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.99 1n27 s SER 3 CO 0.03 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1n27 n GLY 4 N 4.60 0.23 1.17 9.45 0.00 -1.26 -4.33 105.19 115.05 1n27 n GLY 4 Ca -0.15 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1n27 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n27 n SER 5 N 5.53 -1.80 -4.62 1.61 3.41 -1.26 -5.09 113.62 111.39 1n27 n SER 5 Ca 0.00 0.56 -0.51 0.00 -0.26 0.00 0.00 58.87 58.65 1n27 n SER 5 Cb 0.00 1.90 -0.06 0.00 -0.26 0.00 0.00 64.21 65.79 1n27 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1n27 n SER 6 N -2.96 2.06 -3.47 4.04 7.64 -1.26 -5.02 113.62 114.64 1n27 n SER 6 Ca 0.00 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1n27 n SER 6 Cb 0.00 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 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 2.95 -1.79 3.13 0.23 0.00 -1.26 -4.81 105.19 103.64 1n27 n GLY 7 Ca 0.19 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1n27 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n27 s GLU 8 N 0.00 0.65 0.83 1.61 1.03 -1.26 -5.13 118.70 116.44 1n27 s GLU 8 Ca 0.00 -0.88 -0.12 0.00 0.03 0.00 0.00 54.97 54.00 1n27 s GLU 8 Cb 0.00 0.25 0.09 0.00 -0.80 0.00 0.00 34.13 33.68 1n27 s GLU 8 CO 0.00 -0.17 1.16 0.71 -1.33 0.00 0.00 175.26 175.63 1n27 s TYR 9 N -3.13 2.84 0.23 4.83 2.02 -1.26 -5.12 117.35 117.76 1n27 s TYR 9 Ca -0.01 0.81 0.00 0.00 -0.37 0.00 0.00 57.07 57.51 1n27 s TYR 9 Cb 0.02 -3.43 -0.05 0.00 -0.40 0.00 0.00 41.96 38.10 1n27 s TYR 9 CO -0.07 -1.92 0.11 0.15 -1.57 0.00 0.00 175.55 172.25 1n27 s LYS 10 N -5.46 1.31 0.48 -0.62 1.02 -1.26 -5.08 119.74 110.13 1n27 s LYS 10 Ca 0.62 -1.70 -0.24 0.00 0.02 0.00 0.00 55.97 54.67 1n27 s LYS 10 Cb -0.12 -0.02 -0.08 0.00 -0.52 0.00 0.00 37.83 37.09 1n27 s LYS 10 CO 0.51 -0.34 1.34 0.00 -0.92 0.00 0.00 175.35 175.94 1n27 n ALA 11 N -0.37 1.61 -0.91 5.17 0.00 -1.26 -1.74 120.51 123.00 1n27 n ALA 11 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1n27 n ALA 11 Cb 0.66 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 0.73 0.39 3.77 0.00 0.00 0.21 -4.98 105.19 105.31 1n27 n GLY 12 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.23 6.92 0.03 1.61 2.15 -0.71 -4.84 116.67 119.59 1n27 s ASP 13 Ca 0.00 2.43 -0.21 0.00 0.43 0.00 0.00 52.55 55.21 1n27 s ASP 13 Cb 0.00 -2.63 -0.06 0.00 -0.30 0.00 0.00 42.92 39.93 1n27 s ASP 13 CO 0.00 -0.40 0.61 -0.76 -0.17 0.00 0.00 175.17 174.45 1n27 s LEU 14 N -1.82 4.45 0.11 -1.34 1.43 -1.26 -1.35 118.68 118.90 1n27 s LEU 14 Ca 0.49 1.23 -0.06 0.00 -1.03 0.00 0.00 54.13 54.75 1n27 s LEU 14 Cb -0.34 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1n27 s LEU 14 CO 0.45 0.14 0.16 0.68 0.23 0.00 0.00 176.35 178.01 1n27 s VAL 15 N -0.45 0.13 -0.22 -1.59 -7.23 -0.71 -2.44 120.40 107.89 1n27 s VAL 15 Ca 0.31 -1.45 -0.09 0.00 -1.81 0.00 0.00 61.98 58.95 1n27 s VAL 15 Cb -0.19 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1n27 s VAL 15 CO 0.18 -0.57 0.11 -0.36 -0.31 0.00 0.00 175.10 174.16 1n27 s PHE 16 N -3.93 3.27 0.48 2.82 0.08 -0.20 -0.74 117.98 119.76 1n27 s PHE 16 Ca 0.12 0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.30 1n27 s PHE 16 Cb 0.05 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1n27 s PHE 16 CO -0.06 0.06 0.67 0.00 -0.10 0.00 0.00 175.22 175.80 1n27 s ALA 17 N 0.82 4.10 0.06 5.36 0.00 0.10 -0.74 121.76 131.45 1n27 s ALA 17 Ca 0.06 -1.41 0.04 0.00 0.00 0.00 0.00 51.96 50.65 1n27 s ALA 17 Cb -0.13 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 1n27 s ALA 17 CO 0.02 -0.49 -0.11 0.21 0.00 0.00 0.00 175.76 175.39 1n27 s LYS 18 N -4.56 0.67 0.32 0.00 2.47 -0.91 -1.13 119.74 116.60 1n27 s LYS 18 Ca 0.54 -0.86 0.03 0.00 -1.56 0.00 0.00 55.97 54.12 1n27 s LYS 18 Cb -0.10 -0.55 -0.04 0.00 -1.46 0.00 0.00 37.83 35.68 1n27 s LYS 18 CO 0.36 0.11 0.11 -1.64 0.16 0.00 0.00 175.35 174.46 1n27 s MET 19 N -1.70 1.62 -1.43 4.03 -1.94 -1.26 -4.99 119.30 113.63 1n27 s MET 19 Ca -0.06 -1.92 -0.14 0.00 -1.71 0.00 0.00 55.69 51.86 1n27 s MET 19 Cb -0.10 -0.41 0.05 0.00 2.01 0.00 0.00 34.83 36.38 1n27 s MET 19 CO 0.01 -0.36 2.15 1.17 -0.01 0.00 0.00 175.02 177.99 1n27 n LYS 20 N -0.64 2.93 0.00 2.03 4.81 -1.26 -3.75 118.16 122.29 1n27 n LYS 20 Ca -0.01 -2.73 0.00 0.00 -0.87 0.00 0.00 58.31 54.69 1n27 n LYS 20 Cb 0.66 -3.29 0.00 0.00 0.02 0.00 0.00 35.03 32.41 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 4.18 4.37 3.73 3.14 0.00 -1.26 -5.13 105.19 114.22 1n27 n GLY 21 Ca 0.51 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 2.07 0.93 1.61 2.02 -1.25 -5.03 117.35 117.71 1n27 s TYR 22 Ca 0.00 1.50 -0.12 0.00 -0.37 0.00 0.00 57.07 58.09 1n27 s TYR 22 Cb 0.00 -3.66 0.15 0.00 -0.40 0.00 0.00 41.96 38.05 1n27 s TYR 22 CO 0.00 -2.87 1.09 -1.25 -1.57 0.00 0.00 175.55 170.95 1n27 s PRO 23 N -3.45 1.00 -0.15 -1.71 0.04 -1.26 -4.39 135.00 125.08 1n27 s PRO 23 Ca 0.81 0.84 -0.33 0.00 0.04 0.00 0.00 61.00 62.36 1n27 s PRO 23 Cb -0.36 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1n27 s PRO 23 CO 0.40 -2.42 2.00 0.72 0.04 0.00 0.00 177.00 177.74 1n27 n HIS 24 N -4.01 2.15 -5.12 0.56 8.25 -1.26 -4.71 115.22 111.08 1n27 n HIS 24 Ca 0.07 0.01 -0.32 0.00 -0.26 0.00 0.00 57.72 57.21 1n27 n HIS 24 Cb 0.55 -2.66 -0.16 0.00 1.12 0.00 0.00 29.99 28.84 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 5.40 2.59 0.26 4.41 -0.11 -0.28 -4.89 118.94 126.32 1n27 s TRP 25 Ca 0.97 -0.81 -0.29 0.00 1.22 0.00 0.00 56.10 57.18 1n27 s TRP 25 Cb -0.65 -1.70 -0.09 0.00 -1.50 0.00 0.00 33.47 29.52 1n27 s TRP 25 CO 0.48 -0.28 1.28 -1.25 -4.62 0.00 0.00 176.95 172.56 1n27 s PRO 26 N 0.13 4.42 0.19 5.86 0.04 -1.26 -0.72 135.00 143.65 1n27 s PRO 26 Ca -0.11 2.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.93 1n27 s PRO 26 Cb -0.16 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1n27 s PRO 26 CO 0.06 -0.15 0.27 0.00 0.04 0.00 0.00 177.00 177.22 1n27 s ALA 27 N -0.57 0.30 -0.02 8.56 0.00 0.08 -2.81 121.76 127.30 1n27 s ALA 27 Ca 0.52 -1.13 0.06 0.00 0.00 0.00 0.00 51.96 51.41 1n27 s ALA 27 Cb -0.37 1.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 1n27 s ALA 27 CO 0.44 -0.66 -0.19 -0.98 0.00 0.00 0.00 175.76 174.37 1n27 s ARG 28 N -4.03 1.57 -0.27 0.00 1.70 -0.21 -1.73 118.95 115.98 1n27 s ARG 28 Ca 0.24 -0.67 -0.29 0.00 -0.47 0.00 0.00 55.73 54.54 1n27 s ARG 28 Cb 0.04 -1.50 -0.02 0.00 -0.57 0.00 0.00 34.95 32.89 1n27 s ARG 28 CO 0.05 0.39 1.71 0.42 -1.08 0.00 0.00 175.30 176.79 1n27 s ILE 29 N -0.40 3.57 0.95 4.99 -1.09 -0.46 -1.61 121.20 127.16 1n27 s ILE 29 Ca 0.06 0.62 -0.13 0.00 -2.23 0.00 0.00 60.65 58.97 1n27 s ILE 29 Cb -0.08 -3.67 0.16 0.00 -1.58 0.00 0.00 42.46 37.30 1n27 s ILE 29 CO -0.00 -0.35 1.14 -0.62 -1.23 0.00 0.00 174.94 173.87 1n27 s ASP 30 N 5.13 3.11 0.18 3.58 2.15 -0.11 -0.62 116.67 130.10 1n27 s ASP 30 Ca 0.76 0.93 0.10 0.00 0.43 0.00 0.00 52.55 54.77 1n27 s ASP 30 Cb -0.24 -1.47 -0.04 0.00 -0.30 0.00 0.00 42.92 40.87 1n27 s ASP 30 CO 0.32 -2.79 -0.22 -1.83 -0.17 0.00 0.00 175.17 170.48 1n27 s GLU 31 N -5.27 1.40 -0.17 4.34 -1.05 -1.26 -4.61 118.70 112.09 1n27 s GLU 31 Ca 0.65 -1.46 -0.02 0.00 -0.15 0.00 0.00 54.97 53.99 1n27 s GLU 31 Cb -0.14 -1.62 0.05 0.00 -0.44 0.00 0.00 34.13 31.97 1n27 s GLU 31 CO 0.54 0.35 0.02 -0.51 0.95 0.00 0.00 175.26 176.61 1n27 s LEU 32 N -2.62 1.10 1.01 1.83 1.43 -1.26 -5.12 118.68 115.04 1n27 s LEU 32 Ca 0.18 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 1n27 s LEU 32 Cb -0.07 -0.59 0.20 0.00 0.03 0.00 0.00 46.19 45.76 1n27 s LEU 32 CO 0.08 -0.28 1.08 -2.16 0.23 0.00 0.00 176.35 175.31 1n27 s PRO 33 N 1.86 0.31 -1.20 1.29 0.04 -1.26 -4.92 135.00 131.13 1n27 s PRO 33 Ca 0.00 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 61.80 1n27 s PRO 33 Cb -0.16 -1.69 0.08 0.00 0.04 0.00 0.00 34.50 32.77 1n27 s PRO 33 CO -0.07 -2.93 1.60 -1.21 0.04 0.00 0.00 177.00 174.43 1n27 s GLU 34 N -4.70 3.89 0.00 4.56 2.02 -1.26 -3.81 118.70 119.39 1n27 s GLU 34 Ca 0.66 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.80 1n27 s GLU 34 Cb -0.22 -5.40 0.00 0.00 0.10 0.00 0.00 34.13 28.61 1n27 s GLU 34 CO 0.60 -2.16 0.00 0.41 0.02 0.00 0.00 175.26 174.13 1n27 n GLY 35 N 5.59 0.56 0.61 -1.39 0.00 -1.26 -5.18 105.19 104.13 1n27 n GLY 35 Ca 0.42 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -0.02 -1.71 4.61 0.00 -1.25 -5.14 120.51 117.00 1n27 n ALA 36 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1n27 n ALA 36 Cb 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.11 2.10 -5.04 0.00 0.31 -1.26 -4.98 118.33 109.35 1n27 n VAL 37 Ca 0.00 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.54 1n27 n VAL 37 Cb 0.11 -1.64 -0.15 0.00 -0.91 0.00 0.00 33.84 31.25 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 -1.98 1.82 0.68 5.55 -2.85 -1.26 -5.00 119.74 116.70 1n27 s LYS 38 Ca 0.56 -0.92 -0.14 0.00 -1.00 0.00 0.00 55.97 54.47 1n27 s LYS 38 Cb -0.54 -1.84 0.01 0.00 -2.06 0.00 0.00 37.83 33.40 1n27 s LYS 38 CO 0.62 0.49 1.09 -1.25 0.10 0.00 0.00 175.35 176.41 1n27 s PRO 39 N -0.81 2.74 0.60 1.78 0.04 -1.26 -5.04 135.00 133.06 1n27 s PRO 39 Ca 0.10 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 1n27 s PRO 39 Cb -0.09 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1n27 s PRO 39 CO 0.00 -1.28 1.03 -1.25 0.04 0.00 0.00 177.00 175.55 1n27 s PRO 40 N -4.37 3.44 0.63 0.56 0.04 -1.26 -4.98 135.00 129.06 1n27 s PRO 40 Ca 0.64 1.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 1n27 s PRO 40 Cb -0.18 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1n27 s PRO 40 CO 0.46 -0.69 1.20 0.00 0.04 0.00 0.00 177.00 178.00 1n27 s ALA 41 N -2.72 2.45 -0.99 8.56 0.00 -1.26 -1.74 121.76 126.06 1n27 s ALA 41 Ca 0.60 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1n27 s ALA 41 Cb -0.13 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1n27 s ALA 41 CO 0.41 -1.33 0.00 0.09 0.00 0.00 0.00 175.76 174.93 1n27 n ASN 42 N -1.92 -3.35 -4.40 0.00 3.02 -1.26 -4.99 115.26 102.37 1n27 n ASN 42 Ca 0.13 0.24 -0.20 0.00 -0.03 0.00 0.00 54.58 54.73 1n27 n ASN 42 Cb 0.50 -2.95 -0.10 0.00 -0.61 0.00 0.00 39.78 36.61 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 -4.43 1.51 0.11 3.52 1.02 -0.71 -4.02 119.74 116.74 1n27 s LYS 43 Ca 0.00 -1.79 0.06 0.00 0.02 0.00 0.00 55.97 54.25 1n27 s LYS 43 Cb 0.00 -0.89 -0.04 0.00 -0.52 0.00 0.00 37.83 36.38 1n27 s LYS 43 CO 0.00 -0.08 -0.14 0.71 -0.92 0.00 0.00 175.35 174.92 1n27 s TYR 44 N -3.23 1.35 -0.21 3.18 2.02 -0.25 -4.70 117.35 115.52 1n27 s TYR 44 Ca 0.31 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 56.19 1n27 s TYR 44 Cb 0.06 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.87 1n27 s TYR 44 CO 0.12 0.12 1.58 -1.25 -1.57 0.00 0.00 175.55 174.55 1n27 s PRO 45 N -2.42 3.86 -0.30 -1.71 0.04 -1.26 -2.67 135.00 130.54 1n27 s PRO 45 Ca 0.06 1.68 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 1n27 s PRO 45 Cb -0.06 -4.01 0.02 0.00 0.04 0.00 0.00 34.50 30.49 1n27 s PRO 45 CO 0.03 -1.21 0.07 0.42 0.04 0.00 0.00 177.00 176.35 1n27 s ILE 46 N 4.94 3.78 -0.03 0.56 -1.09 -0.37 -0.93 121.20 128.08 1n27 s ILE 46 Ca 0.70 -0.86 -0.24 0.00 -2.23 0.00 0.00 60.65 58.02 1n27 s ILE 46 Cb -0.25 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1n27 s ILE 46 CO 0.28 0.02 0.72 0.12 -1.23 0.00 0.00 174.94 174.85 1n27 s PHE 47 N 1.45 3.64 -0.34 3.97 5.36 -0.63 -1.57 117.98 129.86 1n27 s PHE 47 Ca 0.01 1.33 -0.14 0.00 -0.96 0.00 0.00 56.93 57.17 1n27 s PHE 47 Cb -0.18 -2.80 -0.02 0.00 -0.34 0.00 0.00 43.02 39.68 1n27 s PHE 47 CO 0.02 0.16 0.31 -0.06 -1.46 0.00 0.00 175.22 174.18 1n27 s PHE 48 N 0.47 3.22 0.47 10.12 0.08 -0.32 -1.04 117.98 130.97 1n27 s PHE 48 Ca 0.38 -0.10 -0.23 0.00 0.12 0.00 0.00 56.93 57.10 1n27 s PHE 48 Cb -0.19 -2.58 -0.09 0.00 -0.57 0.00 0.00 43.02 39.60 1n27 s PHE 48 CO 0.20 -0.39 1.10 1.19 -0.10 0.00 0.00 175.22 177.21 1n27 n PHE 49 N 5.25 1.44 0.00 0.36 3.72 -1.12 -1.34 117.46 125.78 1n27 n PHE 49 Ca -0.11 0.51 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 1n27 n PHE 49 Cb 0.50 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.77 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 1.07 2.06 0.13 1.37 0.00 -1.26 -4.23 105.19 104.33 1n27 n GLY 50 Ca 0.09 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 0.66 -0.37 2.61 1.35 -1.77 -3.44 112.91 111.95 1n27 h THR 51 Ca 0.00 -2.01 -0.16 0.00 -0.55 0.00 0.00 66.41 63.69 1n27 h THR 51 Cb 0.00 2.23 -0.06 0.00 -1.73 0.00 0.00 68.15 68.59 1n27 h THR 51 CO 0.00 0.38 -0.14 1.41 -0.25 0.00 0.00 175.52 176.91 1n27 n HIS 52 N -3.09 0.00 -1.42 4.73 -0.00 -0.45 -5.02 115.22 109.97 1n27 n HIS 52 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.37 1n27 n HIS 52 Cb 0.74 -1.74 0.09 0.00 -0.00 0.00 0.00 29.99 29.08 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 -2.40 2.19 -0.03 -0.41 2.02 -1.25 -4.81 118.70 114.00 1n27 s GLU 53 Ca 0.00 1.60 0.01 0.00 0.02 0.00 0.00 54.97 56.60 1n27 s GLU 53 Cb 0.00 -1.86 0.02 0.00 0.10 0.00 0.00 34.13 32.40 1n27 s GLU 53 CO 0.00 -1.76 -0.02 0.95 0.02 0.00 0.00 175.26 174.45 1n27 s THR 54 N -2.21 0.33 0.11 3.63 -4.23 -1.26 -1.18 115.64 110.82 1n27 s THR 54 Ca 0.71 -0.01 -0.16 0.00 -1.18 0.00 0.00 61.69 61.05 1n27 s THR 54 Cb -0.25 -0.39 0.03 0.00 1.34 0.00 0.00 72.50 73.23 1n27 s THR 54 CO 0.46 0.17 0.39 0.00 -0.54 0.00 0.00 174.62 175.10 1n27 s ALA 55 N 0.92 -0.89 -0.23 3.99 0.00 -0.61 -5.00 121.76 119.94 1n27 s ALA 55 Ca -0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 1n27 s ALA 55 Cb -0.14 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 1n27 s ALA 55 CO -0.01 -0.60 0.61 -0.06 0.00 0.00 0.00 175.76 175.71 1n27 s PHE 56 N -3.56 3.32 0.19 0.00 0.08 -1.26 -1.23 117.98 115.52 1n27 s PHE 56 Ca 0.02 0.85 0.08 0.00 0.12 0.00 0.00 56.93 57.99 1n27 s PHE 56 Cb 0.02 -2.80 -0.04 0.00 -0.57 0.00 0.00 43.02 39.62 1n27 s PHE 56 CO -0.10 -0.25 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.11 1n27 s LEU 57 N 2.20 2.52 0.40 -0.37 1.43 -1.09 -4.89 118.68 118.88 1n27 s LEU 57 Ca 0.27 -0.97 0.08 0.00 -1.03 0.00 0.00 54.13 52.47 1n27 s LEU 57 Cb -0.16 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 1n27 s LEU 57 CO 0.09 -0.15 0.42 -0.83 0.23 0.00 0.00 176.35 176.11 1n27 s GLY 58 N -3.10 1.99 0.33 -3.19 0.00 -1.26 -1.09 107.32 101.01 1n27 s GLY 58 Ca 0.20 -1.76 0.26 0.00 0.00 0.00 0.00 44.72 43.41 1n27 s GLY 58 CO 0.06 -1.60 1.77 -0.56 0.00 0.00 0.00 173.10 172.77 1n27 h PRO 59 N 0.95 0.00 0.00 2.90 0.13 -1.90 -2.07 132.00 132.01 1n27 h PRO 59 Ca -0.42 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1n27 h PRO 59 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n27 h PRO 59 CO 0.54 0.00 -0.11 0.87 -0.23 0.00 0.00 178.00 179.07 1n27 h LYS 60 N 0.00 0.00 -0.55 0.86 1.79 -1.96 -2.97 116.57 113.74 1n27 h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1n27 h LYS 60 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1n27 h LYS 60 CO 0.00 0.11 0.00 -0.25 -1.08 0.00 0.00 179.45 178.23 1n27 n ASP 61 N -3.88 3.58 -3.89 0.86 9.92 -0.78 -4.94 116.55 117.43 1n27 n ASP 61 Ca -0.02 -2.06 -0.22 0.00 -0.53 0.00 0.00 54.79 51.96 1n27 n ASP 61 Cb 0.21 -0.39 -0.17 0.00 -0.64 0.00 0.00 41.12 40.13 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 -1.12 1.23 0.02 0.64 1.43 -1.12 -2.13 118.68 117.63 1n27 s LEU 62 Ca 0.38 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1n27 s LEU 62 Cb 0.21 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.87 1n27 s LEU 62 CO 0.24 -0.07 -0.23 -0.36 0.23 0.00 0.00 176.35 176.16 1n27 s PHE 63 N 1.14 2.06 0.04 0.29 0.40 0.08 -4.89 117.98 117.10 1n27 s PHE 63 Ca -0.07 -0.39 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1n27 s PHE 63 Cb -0.14 -1.27 -0.09 0.00 0.51 0.00 0.00 43.02 42.03 1n27 s PHE 63 CO -0.01 0.05 1.89 -1.25 0.70 0.00 0.00 175.22 176.59 1n27 s PRO 64 N -0.93 4.15 0.13 0.24 0.04 -1.26 -1.03 135.00 136.34 1n27 s PRO 64 Ca 0.09 2.53 -0.20 0.00 0.04 0.00 0.00 61.00 63.46 1n27 s PRO 64 Cb -0.09 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1n27 s PRO 64 CO 0.01 -0.91 1.71 -0.92 0.04 0.00 0.00 177.00 176.92 1n27 h TYR 65 N 10.03 -0.11 -0.37 0.56 3.20 -1.79 -1.21 116.97 127.28 1n27 h TYR 65 Ca -0.47 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.48 1n27 h TYR 65 Cb 1.22 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 1n27 h TYR 65 CO 0.91 -0.08 0.25 0.87 -1.64 0.00 0.00 178.16 178.47 1n27 h LYS 66 N -0.01 0.23 0.08 1.82 1.57 -1.91 0.24 116.57 118.59 1n27 h LYS 66 Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1n27 h LYS 66 Cb 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1n27 h LYS 66 CO -0.19 0.15 -0.04 0.93 -0.57 0.00 0.00 179.45 179.74 1n27 h GLU 67 N 0.24 -0.10 0.00 3.15 3.07 -1.90 -3.40 114.58 115.64 1n27 h GLU 67 Ca 0.16 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1n27 h GLU 67 Cb 0.35 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1n27 h GLU 67 CO -0.03 -0.07 0.00 0.66 -1.40 0.00 0.00 179.01 178.17 1n27 n TYR 68 N -2.61 0.00 -0.22 4.33 4.01 -0.48 -3.86 117.16 118.33 1n27 n TYR 68 Ca -0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.75 1n27 n TYR 68 Cb 0.04 -0.13 0.14 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.00 0.25 0.00 -0.72 3.64 -0.77 0.40 116.57 119.36 1n27 h LYS 69 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1n27 h LYS 69 Cb 0.11 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1n27 h LYS 69 CO 0.00 0.16 0.00 0.22 -2.27 0.00 0.00 179.45 177.56 1n27 h ASP 70 N 0.25 0.00 0.00 4.20 3.58 -1.85 -2.32 116.42 120.28 1n27 h ASP 70 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1n27 h ASP 70 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1n27 h ASP 70 CO -0.46 0.00 -0.67 1.17 -2.88 0.00 0.00 179.24 176.40 1n27 n LYS 71 N -2.68 0.38 0.01 0.28 4.81 -0.32 -4.72 118.16 115.93 1n27 n LYS 71 Ca 0.05 0.23 -0.09 0.00 -0.87 0.00 0.00 58.31 57.62 1n27 n LYS 71 Cb 0.47 -1.26 -0.13 0.00 0.02 0.00 0.00 35.03 34.13 1n27 n LYS 71 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1n27 h PHE 72 N -0.75 0.06 -0.26 5.64 0.04 -0.47 -3.42 116.94 117.78 1n27 h PHE 72 Ca 0.00 -0.04 -0.66 0.00 2.80 0.00 0.00 57.97 60.07 1n27 h PHE 72 Cb 0.67 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 1n27 h PHE 72 CO -0.29 1.06 2.56 0.41 -0.60 0.00 0.00 178.31 181.45 1n27 n GLY 73 N 1.51 3.29 2.93 -1.45 0.00 -0.87 -4.86 105.19 105.73 1n27 n GLY 73 Ca -0.12 -1.41 -0.22 0.00 0.00 0.00 0.00 46.02 44.27 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 4.11 1.13 0.03 1.61 -0.14 -1.26 -4.76 119.74 120.47 1n27 s LYS 74 Ca 0.53 -0.20 -0.38 0.00 -1.36 0.00 0.00 55.97 54.55 1n27 s LYS 74 Cb 0.10 -1.06 -0.19 0.00 -1.68 0.00 0.00 37.83 35.00 1n27 s LYS 74 CO 0.01 -0.06 1.09 -1.13 -0.76 0.00 0.00 175.35 174.50 1n27 n SER 75 N 4.05 0.29 -3.84 2.83 3.41 -1.26 -4.99 113.62 114.11 1n27 n SER 75 Ca -0.23 1.15 -0.15 0.00 -0.26 0.00 0.00 58.87 59.38 1n27 n SER 75 Cb 0.51 -0.98 -0.15 0.00 -0.26 0.00 0.00 64.21 63.32 1n27 n SER 75 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1n27 s ASN 76 N 0.04 0.21 -1.31 4.04 3.84 -1.26 -5.05 114.94 115.45 1n27 s ASN 76 Ca 0.88 -0.01 -0.16 0.00 0.21 0.00 0.00 52.86 53.77 1n27 s ASN 76 Cb -1.17 -0.09 0.01 0.00 -0.55 0.00 0.00 41.25 39.45 1n27 s ASN 76 CO 0.55 -0.05 2.08 0.29 -2.79 0.00 0.00 177.10 177.18 1n27 n LYS 77 N 3.63 2.65 -5.25 0.43 4.01 -1.26 -4.47 118.16 117.90 1n27 n LYS 77 Ca -0.20 -2.60 -0.32 0.00 -0.51 0.00 0.00 58.31 54.68 1n27 n LYS 77 Cb 0.55 -3.29 -0.17 0.00 -0.51 0.00 0.00 35.03 31.61 1n27 n LYS 77 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1n27 s ARG 78 N 3.80 2.67 0.50 1.97 1.81 -1.26 -5.11 118.95 123.33 1n27 s ARG 78 Ca 0.51 -0.90 -0.21 0.00 -1.72 0.00 0.00 55.73 53.41 1n27 s ARG 78 Cb 0.12 -2.19 -0.06 0.00 -0.45 0.00 0.00 34.95 32.37 1n27 s ARG 78 CO -0.02 0.33 1.18 0.21 -0.68 0.00 0.00 175.30 176.32 1n27 s LYS 79 N -0.03 3.50 0.00 3.54 2.20 -1.26 -2.81 119.74 124.88 1n27 s LYS 79 Ca -0.08 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1n27 s LYS 79 Cb -0.15 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 1n27 s LYS 79 CO 0.05 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 1n27 n GLY 80 N 0.41 1.69 0.42 5.54 0.00 -1.26 -4.76 105.19 107.22 1n27 n GLY 80 Ca 0.09 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.44 -0.40 1.61 3.57 -1.86 -2.17 116.94 116.24 1n27 h PHE 81 Ca 0.00 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1n27 h PHE 81 Cb 0.00 0.64 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1n27 h PHE 81 CO 0.00 -0.49 0.27 -0.97 -2.23 0.00 0.00 178.31 174.89 1n27 h ASN 82 N -0.53 0.38 -0.24 0.41 -0.00 -1.76 0.05 115.58 113.89 1n27 h ASN 82 Ca 0.03 -0.01 -0.20 0.00 -0.00 0.00 0.00 56.30 56.12 1n27 h ASN 82 Cb 0.61 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.85 1n27 h ASN 82 CO -0.38 0.27 -0.64 -0.33 -0.00 0.00 0.00 177.43 176.35 1n27 h GLU 83 N 0.45 0.85 -0.53 6.67 5.08 -1.82 -3.14 114.58 122.15 1n27 h GLU 83 Ca 0.16 -0.60 0.03 0.00 -1.00 0.00 0.00 59.36 57.95 1n27 h GLU 83 Cb 0.10 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1n27 h GLU 83 CO -0.04 1.22 0.35 0.78 -1.00 0.00 0.00 179.01 180.33 1n27 h GLY 84 N 0.63 0.69 2.00 -3.84 0.00 -0.37 -0.44 103.07 101.74 1n27 h GLY 84 Ca -0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1n27 h GLY 84 CO 0.14 0.21 -0.21 1.41 0.00 0.00 0.00 176.54 178.09 1n27 h LEU 85 N 0.61 0.00 0.00 3.11 -0.00 -1.31 -1.00 115.31 116.72 1n27 h LEU 85 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1n27 h LEU 85 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1n27 h LEU 85 CO -0.05 0.21 -0.00 -0.25 -0.00 0.00 0.00 178.44 178.35 1n27 h TRP 86 N 0.00 -0.00 -0.39 1.13 7.01 -1.08 -3.09 115.95 119.52 1n27 h TRP 86 Ca -0.00 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1n27 h TRP 86 Cb 0.61 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1n27 h TRP 86 CO 0.00 0.53 0.22 1.49 -2.79 0.00 0.00 178.44 177.89 1n27 h GLU 87 N -0.54 0.44 -0.45 2.65 4.81 -0.75 -0.33 114.58 120.41 1n27 h GLU 87 Ca -0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1n27 h GLU 87 Cb 0.53 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1n27 h GLU 87 CO 0.00 0.29 -0.04 0.97 -0.73 0.00 0.00 179.01 179.50 1n27 h ILE 88 N 0.45 1.27 0.00 2.32 2.10 -1.35 -2.23 117.51 120.06 1n27 h ILE 88 Ca 0.16 -1.11 -0.00 0.00 1.08 0.00 0.00 64.86 64.98 1n27 h ILE 88 Cb 0.02 1.09 -0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1n27 h ILE 88 CO -0.08 0.38 -0.01 -0.33 -1.08 0.00 0.00 178.15 177.02 1n27 h GLU 89 N 0.66 0.00 -0.50 2.19 5.08 -1.34 -2.34 114.58 118.32 1n27 h GLU 89 Ca 0.12 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.24 1n27 h GLU 89 Cb 0.55 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.66 1n27 h GLU 89 CO 0.03 0.01 0.10 0.09 -1.00 0.00 0.00 179.01 178.24 1n27 n ASN 90 N -3.12 2.92 0.26 1.42 3.02 -0.18 -4.78 115.26 114.80 1n27 n ASN 90 Ca 0.00 -3.68 0.17 0.00 -0.03 0.00 0.00 54.58 51.05 1n27 n ASN 90 Cb 0.28 -0.68 0.90 0.00 -0.61 0.00 0.00 39.78 39.67 1n27 n ASN 90 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1n27 h SER 91 N 1.11 0.00 -3.74 6.41 4.64 -0.83 -3.45 113.55 117.69 1n27 h SER 91 Ca 0.30 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.35 1n27 h SER 91 Cb 1.94 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.96 1n27 h SER 91 CO 0.55 0.00 -0.19 0.61 -0.87 0.00 0.00 176.83 176.93 1n27 n GLY 92 N -0.95 2.55 3.77 -0.77 0.00 -1.26 -5.09 105.19 103.44 1n27 n GLY 92 Ca -0.02 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.77 2.83 -0.26 1.61 0.04 -1.26 -5.00 135.00 130.19 1n27 s PRO 93 Ca 0.26 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 1n27 s PRO 93 Cb -0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1n27 s PRO 93 CO 0.18 -1.23 0.12 -1.12 0.04 0.00 0.00 177.00 174.99 1n27 s SER 94 N -2.53 5.48 0.00 6.66 0.01 -1.26 -4.94 113.70 117.12 1n27 s SER 94 Ca 0.67 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1n27 s SER 94 Cb -0.21 -2.00 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1n27 s SER 94 CO 0.41 -0.04 0.00 -1.20 0.41 0.00 0.00 173.24 172.82 1n27 n SER 95 N 4.97 0.00 0.00 2.44 7.64 -1.26 -5.30 113.62 122.11 1n27 n SER 95 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1n27 n SER 95 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64