#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 -0.18 0.27 1.61 0.15 -1.26 -5.18 113.70 109.11 1n27 s SER 2 Ca 0.00 -0.74 0.02 0.00 0.70 0.00 0.00 55.95 55.93 1n27 s SER 2 Cb 0.00 0.72 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 1n27 s SER 2 CO 0.00 -1.35 0.23 -0.44 1.20 0.00 0.00 173.24 172.88 1n27 s SER 3 N -2.96 0.86 0.97 5.45 0.01 -1.26 -4.91 113.70 111.86 1n27 s SER 3 Ca 0.14 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 55.86 1n27 s SER 3 Cb -0.05 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1n27 s SER 3 CO 0.08 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.36 1n27 n GLY 4 N -0.45 1.98 2.57 3.44 0.00 -1.26 -4.04 105.19 107.44 1n27 n GLY 4 Ca 0.04 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 9.12 3.00 -4.73 1.61 7.64 -1.26 -5.09 113.62 123.91 1n27 n SER 5 Ca 0.00 -3.25 -0.35 0.00 1.01 0.00 0.00 58.87 56.28 1n27 n SER 5 Cb 0.00 -0.69 0.08 0.00 -1.01 0.00 0.00 64.21 62.58 1n27 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1n27 s SER 6 N -1.89 4.48 0.00 6.43 0.15 -1.26 -4.82 113.70 116.79 1n27 s SER 6 Ca 0.34 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.36 1n27 s SER 6 Cb 0.08 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1n27 s SER 6 CO -0.09 -2.07 0.00 0.61 1.20 0.00 0.00 173.24 172.89 1n27 n GLY 7 N 0.42 -1.36 0.87 9.45 0.00 -1.26 -5.11 105.19 108.21 1n27 n GLY 7 Ca 0.14 0.65 0.11 0.00 0.00 0.00 0.00 46.02 46.91 1n27 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n27 n GLU 8 N 0.00 -1.95 -4.44 1.61 1.02 -1.26 -5.04 120.64 110.58 1n27 n GLU 8 Ca 0.00 1.52 -0.25 0.00 -0.02 0.00 0.00 57.16 58.42 1n27 n GLU 8 Cb 0.00 -2.30 -0.10 0.00 -0.02 0.00 0.00 31.44 29.02 1n27 n GLU 8 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1n27 s TYR 9 N -3.22 2.35 0.23 -0.32 2.02 -1.26 -5.15 117.35 112.00 1n27 s TYR 9 Ca 0.00 -0.32 -0.08 0.00 -0.37 0.00 0.00 57.07 56.30 1n27 s TYR 9 Cb 0.00 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 1n27 s TYR 9 CO 0.00 0.66 0.34 -1.59 -1.57 0.00 0.00 175.55 173.40 1n27 s LYS 10 N -3.35 1.41 -0.02 -0.62 -2.85 -1.26 -5.07 119.74 107.98 1n27 s LYS 10 Ca 0.28 -1.39 -0.36 0.00 -1.00 0.00 0.00 55.97 53.51 1n27 s LYS 10 Cb -0.06 0.39 -0.14 0.00 -2.06 0.00 0.00 37.83 35.97 1n27 s LYS 10 CO 0.15 -0.54 1.67 0.00 0.10 0.00 0.00 175.35 176.72 1n27 n ALA 11 N -0.33 0.51 -0.00 0.59 0.00 -1.26 -1.10 120.51 118.91 1n27 n ALA 11 Ca -0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1n27 n ALA 11 Cb 0.63 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 3.73 0.16 3.81 0.00 0.00 -1.16 -5.05 105.19 106.68 1n27 n GLY 12 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.16 5.22 0.12 1.61 1.01 -0.26 -4.98 116.67 117.23 1n27 s ASP 13 Ca 0.00 1.68 0.09 0.00 0.71 0.00 0.00 52.55 55.03 1n27 s ASP 13 Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1n27 s ASP 13 CO 0.00 -1.55 -0.20 -0.76 0.21 0.00 0.00 175.17 172.86 1n27 s LEU 14 N -5.55 2.61 0.27 1.23 1.43 -1.26 -2.15 118.68 115.27 1n27 s LEU 14 Ca 0.59 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1n27 s LEU 14 Cb -0.15 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1n27 s LEU 14 CO 0.54 0.18 0.35 0.68 0.23 0.00 0.00 176.35 178.33 1n27 s VAL 15 N -1.14 0.00 -0.12 -1.59 -7.23 -0.57 -1.91 120.40 107.83 1n27 s VAL 15 Ca 0.17 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1n27 s VAL 15 Cb -0.10 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1n27 s VAL 15 CO 0.09 0.00 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.48 1n27 s PHE 16 N -3.68 3.01 -0.18 2.82 0.08 -0.09 -1.41 117.98 118.53 1n27 s PHE 16 Ca 0.32 -0.17 -0.04 0.00 0.12 0.00 0.00 56.93 57.16 1n27 s PHE 16 Cb 0.02 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.58 1n27 s PHE 16 CO 0.16 0.12 -0.03 0.00 -0.10 0.00 0.00 175.22 175.36 1n27 s ALA 17 N -0.09 2.95 -0.42 5.36 0.00 0.28 -1.20 121.76 128.64 1n27 s ALA 17 Ca 0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 1n27 s ALA 17 Cb -0.13 -1.65 0.07 0.00 0.00 0.00 0.00 23.12 21.41 1n27 s ALA 17 CO 0.03 -0.06 0.27 0.21 0.00 0.00 0.00 175.76 176.21 1n27 s LYS 18 N 0.84 2.71 0.86 0.00 2.47 -1.08 -0.64 119.74 124.89 1n27 s LYS 18 Ca -0.00 -1.37 -0.12 0.00 -1.56 0.00 0.00 55.97 52.91 1n27 s LYS 18 Cb -0.14 -3.83 0.11 0.00 -1.46 0.00 0.00 37.83 32.51 1n27 s LYS 18 CO 0.02 -0.92 1.16 -1.64 0.16 0.00 0.00 175.35 174.13 1n27 s MET 19 N 1.48 1.53 0.17 4.03 -1.94 -1.26 -4.94 119.30 118.38 1n27 s MET 19 Ca 0.03 0.18 -0.31 0.00 -1.71 0.00 0.00 55.69 53.88 1n27 s MET 19 Cb -0.23 -1.89 -0.10 0.00 2.01 0.00 0.00 34.83 34.62 1n27 s MET 19 CO 0.04 -1.91 1.53 0.15 -0.01 0.00 0.00 175.02 174.82 1n27 s LYS 20 N -5.44 4.23 0.00 2.03 1.02 -1.26 -3.84 119.74 116.48 1n27 s LYS 20 Ca 0.63 2.33 0.00 0.00 0.02 0.00 0.00 55.97 58.95 1n27 s LYS 20 Cb -0.13 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1n27 s LYS 20 CO 0.51 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 1n27 n GLY 21 N 3.46 1.18 3.57 -3.33 0.00 -1.26 -4.92 105.19 103.89 1n27 n GLY 21 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 0.27 -1.18 1.61 4.01 -1.25 -5.03 117.16 115.59 1n27 n TYR 22 Ca 0.00 0.40 -0.30 0.00 -0.16 0.00 0.00 57.90 57.84 1n27 n TYR 22 Cb 0.00 -2.05 0.21 0.00 -0.31 0.00 0.00 39.34 37.20 1n27 n TYR 22 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1n27 s PRO 23 N -2.95 -0.56 -0.60 -0.72 0.04 -1.26 -4.50 135.00 124.45 1n27 s PRO 23 Ca 0.72 0.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.58 1n27 s PRO 23 Cb -0.37 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1n27 s PRO 23 CO 0.51 -3.30 2.25 -1.01 0.04 0.00 0.00 177.00 175.49 1n27 s HIS 24 N -3.07 1.27 0.25 0.56 3.76 -1.26 -4.31 115.29 112.49 1n27 s HIS 24 Ca 0.69 1.40 -0.30 0.00 -0.15 0.00 0.00 55.06 56.70 1n27 s HIS 24 Cb -0.12 -3.70 -0.09 0.00 1.11 0.00 0.00 32.58 29.77 1n27 s HIS 24 CO 0.56 -2.26 0.96 -0.46 -0.85 0.00 0.00 174.74 172.69 1n27 s TRP 25 N 11.80 3.92 0.14 1.40 -0.11 0.18 -4.77 118.94 131.50 1n27 s TRP 25 Ca 0.88 1.88 -0.31 0.00 1.22 0.00 0.00 56.10 59.77 1n27 s TRP 25 Cb -0.15 -3.02 -0.09 0.00 -1.50 0.00 0.00 33.47 28.72 1n27 s TRP 25 CO 0.20 0.32 1.56 -1.25 -4.62 0.00 0.00 176.95 173.15 1n27 s PRO 26 N -1.27 4.23 0.15 5.86 0.04 -1.26 -0.56 135.00 142.20 1n27 s PRO 26 Ca 0.42 2.31 -0.05 0.00 0.04 0.00 0.00 61.00 63.72 1n27 s PRO 26 Cb -0.26 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 1n27 s PRO 26 CO 0.33 -0.61 0.18 0.00 0.04 0.00 0.00 177.00 176.94 1n27 s ALA 27 N 1.46 0.45 0.08 8.56 0.00 -0.50 -2.25 121.76 129.55 1n27 s ALA 27 Ca 0.70 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 51.55 1n27 s ALA 27 Cb -0.42 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1n27 s ALA 27 CO 0.31 -0.58 -0.18 -0.98 0.00 0.00 0.00 175.76 174.33 1n27 s ARG 28 N -4.02 1.90 -0.51 0.00 1.70 -0.80 -1.51 118.95 115.72 1n27 s ARG 28 Ca 0.22 -1.09 -0.28 0.00 -0.47 0.00 0.00 55.73 54.10 1n27 s ARG 28 Cb 0.05 -2.14 0.03 0.00 -0.57 0.00 0.00 34.95 32.32 1n27 s ARG 28 CO 0.02 0.51 1.12 0.42 -1.08 0.00 0.00 175.30 176.29 1n27 s ILE 29 N -1.03 4.19 0.46 4.99 -1.09 -0.91 -2.61 121.20 125.19 1n27 s ILE 29 Ca 0.16 1.05 -0.08 0.00 -2.23 0.00 0.00 60.65 59.56 1n27 s ILE 29 Cb -0.10 -4.62 0.11 0.00 -1.58 0.00 0.00 42.46 36.26 1n27 s ILE 29 CO 0.08 -1.09 0.61 -0.67 -1.23 0.00 0.00 174.94 172.64 1n27 n ASP 30 N 7.93 -0.01 -4.82 3.58 -0.08 -0.36 -2.97 116.55 119.81 1n27 n ASP 30 Ca 0.10 -1.21 -0.30 0.00 -1.51 0.00 0.00 54.79 51.88 1n27 n ASP 30 Cb 0.49 -0.47 -0.05 0.00 2.34 0.00 0.00 41.12 43.43 1n27 n ASP 30 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1n27 s GLU 31 N -4.34 2.22 -0.16 -0.67 4.04 -1.26 -4.33 118.70 114.20 1n27 s GLU 31 Ca 0.35 -2.22 -0.03 0.00 0.04 0.00 0.00 54.97 53.11 1n27 s GLU 31 Cb -0.01 -1.78 0.05 0.00 0.02 0.00 0.00 34.13 32.41 1n27 s GLU 31 CO 0.25 -0.46 0.04 -0.51 -1.84 0.00 0.00 175.26 172.74 1n27 s LEU 32 N -4.04 0.94 0.68 1.83 1.43 -1.26 -4.98 118.68 113.28 1n27 s LEU 32 Ca 0.19 -0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 1n27 s LEU 32 Cb 0.00 -0.51 0.01 0.00 0.03 0.00 0.00 46.19 45.72 1n27 s LEU 32 CO 0.11 -0.29 1.21 -2.16 0.23 0.00 0.00 176.35 175.46 1n27 s PRO 33 N 1.92 2.44 -0.86 1.29 0.04 -1.26 -4.88 135.00 133.69 1n27 s PRO 33 Ca 0.01 1.80 -0.25 0.00 0.04 0.00 0.00 61.00 62.60 1n27 s PRO 33 Cb -0.16 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1n27 s PRO 33 CO -0.07 -1.61 1.92 -2.00 0.04 0.00 0.00 177.00 175.27 1n27 s GLU 34 N -3.71 2.60 0.00 4.56 2.12 -1.26 -1.25 118.70 121.77 1n27 s GLU 34 Ca 0.76 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.92 1n27 s GLU 34 Cb -0.30 -4.95 0.00 0.00 0.26 0.00 0.00 34.13 29.13 1n27 s GLU 34 CO 0.41 -3.23 0.00 0.41 -0.54 0.00 0.00 175.26 172.31 1n27 n GLY 35 N 6.66 0.50 3.91 -1.50 0.00 -1.26 -5.16 105.19 108.33 1n27 n GLY 35 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 2.07 1.09 4.61 0.00 -0.38 -5.11 121.76 124.04 1n27 s ALA 36 Ca 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 1n27 s ALA 36 Cb 0.00 -2.77 0.10 0.00 0.00 0.00 0.00 23.12 20.45 1n27 s ALA 36 CO 0.00 -2.60 0.34 1.55 0.00 0.00 0.00 175.76 175.05 1n27 n VAL 37 N -3.89 0.00 -4.25 0.00 3.14 -1.26 -5.00 118.33 107.08 1n27 n VAL 37 Ca 0.16 -0.13 -0.18 0.00 -2.96 0.00 0.00 64.34 61.23 1n27 n VAL 37 Cb 0.59 -0.95 -0.13 0.00 -1.06 0.00 0.00 33.84 32.30 1n27 n VAL 37 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1n27 s LYS 38 N -3.77 0.79 0.78 1.45 -2.85 -1.26 -4.93 119.74 109.96 1n27 s LYS 38 Ca 0.22 -0.74 -0.11 0.00 -1.00 0.00 0.00 55.97 54.34 1n27 s LYS 38 Cb -0.02 -0.75 0.06 0.00 -2.06 0.00 0.00 37.83 35.06 1n27 s LYS 38 CO 0.17 0.18 1.09 -1.25 0.10 0.00 0.00 175.35 175.65 1n27 s PRO 39 N -1.24 2.19 0.65 1.78 0.04 -1.26 -5.04 135.00 132.14 1n27 s PRO 39 Ca -0.01 0.65 -0.14 0.00 0.04 0.00 0.00 61.00 61.54 1n27 s PRO 39 Cb -0.08 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 1n27 s PRO 39 CO 0.01 -1.55 1.09 -1.25 0.04 0.00 0.00 177.00 175.34 1n27 s PRO 40 N -5.16 2.91 0.53 0.56 0.04 -1.26 -4.95 135.00 127.67 1n27 s PRO 40 Ca 0.60 1.27 -0.22 0.00 0.04 0.00 0.00 61.00 62.69 1n27 s PRO 40 Cb -0.14 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1n27 s PRO 40 CO 0.54 -1.14 1.35 0.00 0.04 0.00 0.00 177.00 177.79 1n27 s ALA 41 N -2.51 2.87 -1.41 8.56 0.00 -1.26 -2.09 121.76 125.92 1n27 s ALA 41 Ca 0.64 1.31 -0.03 0.00 0.00 0.00 0.00 51.96 53.89 1n27 s ALA 41 Cb -0.18 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1n27 s ALA 41 CO 0.43 -1.29 0.23 0.09 0.00 0.00 0.00 175.76 175.22 1n27 n ASN 42 N -0.90 -4.96 -4.13 0.00 3.02 -1.26 -5.01 115.26 102.02 1n27 n ASN 42 Ca 0.10 -0.08 -0.18 0.00 -0.03 0.00 0.00 54.58 54.39 1n27 n ASN 42 Cb 0.45 -4.11 -0.13 0.00 -0.61 0.00 0.00 39.78 35.38 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 -5.37 0.81 0.15 3.52 1.02 -0.89 -4.05 119.74 114.94 1n27 s LYS 43 Ca 0.14 -0.80 0.07 0.00 0.02 0.00 0.00 55.97 55.40 1n27 s LYS 43 Cb -0.07 -0.79 -0.04 0.00 -0.52 0.00 0.00 37.83 36.41 1n27 s LYS 43 CO 0.17 0.18 -0.02 0.71 -0.92 0.00 0.00 175.35 175.48 1n27 s TYR 44 N -1.03 2.85 -0.73 3.18 2.02 -0.31 -4.65 117.35 118.69 1n27 s TYR 44 Ca -0.01 -0.12 -0.26 0.00 -0.37 0.00 0.00 57.07 56.31 1n27 s TYR 44 Cb -0.09 -1.42 -0.06 0.00 -0.40 0.00 0.00 41.96 40.00 1n27 s TYR 44 CO 0.01 0.50 2.10 -1.25 -1.57 0.00 0.00 175.55 175.34 1n27 s PRO 45 N -2.71 2.30 0.17 -1.71 0.04 -1.26 -3.39 135.00 128.43 1n27 s PRO 45 Ca 0.26 0.41 -0.23 0.00 0.04 0.00 0.00 61.00 61.48 1n27 s PRO 45 Cb -0.10 -4.73 -0.08 0.00 0.04 0.00 0.00 34.50 29.63 1n27 s PRO 45 CO 0.18 -3.40 0.74 0.42 0.04 0.00 0.00 177.00 174.98 1n27 s ILE 46 N 11.14 4.46 -0.12 0.56 -1.09 -0.25 -1.23 121.20 134.67 1n27 s ILE 46 Ca 0.79 1.54 0.01 0.00 -2.23 0.00 0.00 60.65 60.76 1n27 s ILE 46 Cb -0.11 -4.04 0.02 0.00 -1.58 0.00 0.00 42.46 36.75 1n27 s ILE 46 CO 0.12 0.44 -0.13 0.12 -1.23 0.00 0.00 174.94 174.26 1n27 s PHE 47 N -1.24 1.93 -0.67 3.97 5.36 -1.07 -1.87 117.98 124.38 1n27 s PHE 47 Ca 0.37 -0.99 -0.23 0.00 -0.96 0.00 0.00 56.93 55.12 1n27 s PHE 47 Cb -0.21 -1.44 0.07 0.00 -0.34 0.00 0.00 43.02 41.10 1n27 s PHE 47 CO 0.24 -0.55 1.01 -0.06 -1.46 0.00 0.00 175.22 174.39 1n27 s PHE 48 N 1.31 2.63 0.45 10.12 0.40 -0.24 -1.90 117.98 130.76 1n27 s PHE 48 Ca -0.00 -0.51 -0.23 0.00 -0.60 0.00 0.00 56.93 55.59 1n27 s PHE 48 Cb -0.14 -4.33 -0.10 0.00 0.51 0.00 0.00 43.02 38.96 1n27 s PHE 48 CO -0.06 -1.70 0.99 1.19 0.70 0.00 0.00 175.22 176.34 1n27 n PHE 49 N 7.89 1.08 0.00 0.36 3.72 -0.95 -0.99 117.46 128.56 1n27 n PHE 49 Ca -0.02 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.91 1n27 n PHE 49 Cb 0.46 -2.21 0.00 0.00 -0.94 0.00 0.00 39.48 36.79 1n27 n PHE 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n27 n GLY 50 N 1.21 1.41 0.01 1.37 0.00 -1.26 -4.22 105.19 103.71 1n27 n GLY 50 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1n27 n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n27 n THR 51 N 0.00 0.05 -2.07 2.61 -2.24 -0.99 -4.85 114.28 106.79 1n27 n THR 51 Ca 0.00 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 1n27 n THR 51 Cb 0.00 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1n27 n THR 51 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1n27 n HIS 52 N -1.68 -0.80 -3.03 4.78 -0.00 -0.16 -4.98 115.22 109.33 1n27 n HIS 52 Ca 0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.51 1n27 n HIS 52 Cb 0.38 -3.31 0.00 0.00 -0.00 0.00 0.00 29.99 27.06 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 -4.45 3.33 0.02 -0.41 2.02 -1.24 -4.91 118.70 113.06 1n27 s GLU 53 Ca 0.00 -0.25 0.05 0.00 0.02 0.00 0.00 54.97 54.80 1n27 s GLU 53 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 1n27 s GLU 53 CO 0.00 -0.11 -0.17 0.95 0.02 0.00 0.00 175.26 175.95 1n27 s THR 54 N -2.52 1.31 0.30 3.63 -4.23 -1.26 -1.08 115.64 111.79 1n27 s THR 54 Ca 0.45 -0.90 -0.10 0.00 -1.18 0.00 0.00 61.69 59.96 1n27 s THR 54 Cb -0.10 -1.13 0.01 0.00 1.34 0.00 0.00 72.50 72.61 1n27 s THR 54 CO 0.39 0.21 0.52 0.00 -0.54 0.00 0.00 174.62 175.20 1n27 s ALA 55 N -0.62 0.05 -0.31 3.99 0.00 -0.78 -5.02 121.76 119.07 1n27 s ALA 55 Ca 0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1n27 s ALA 55 Cb -0.07 1.05 0.07 0.00 0.00 0.00 0.00 23.12 24.16 1n27 s ALA 55 CO 0.01 -0.85 0.02 -0.06 0.00 0.00 0.00 175.76 174.87 1n27 s PHE 56 N -3.45 3.36 0.13 0.00 0.08 -1.26 -1.09 117.98 115.75 1n27 s PHE 56 Ca 0.24 -2.14 0.10 0.00 0.12 0.00 0.00 56.93 55.25 1n27 s PHE 56 Cb -0.01 -2.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 1n27 s PHE 56 CO 0.13 -0.86 -0.22 -0.51 -0.10 0.00 0.00 175.22 173.67 1n27 s LEU 57 N 1.18 2.54 0.48 -0.37 1.43 -1.22 -4.87 118.68 117.85 1n27 s LEU 57 Ca -0.02 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1n27 s LEU 57 Cb -0.20 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1n27 s LEU 57 CO -0.03 0.17 0.71 -0.83 0.23 0.00 0.00 176.35 176.60 1n27 s GLY 58 N -2.18 1.60 0.55 -3.19 0.00 -1.26 -1.16 107.32 101.68 1n27 s GLY 58 Ca 0.17 -1.03 0.22 0.00 0.00 0.00 0.00 44.72 44.08 1n27 s GLY 58 CO 0.09 -0.84 2.17 -0.56 0.00 0.00 0.00 173.10 173.96 1n27 h PRO 59 N 0.30 0.00 0.00 2.90 0.13 -1.92 -1.44 132.00 131.97 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 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n27 h PRO 59 CO 0.57 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.70 1n27 n LYS 60 N -4.24 0.02 -0.01 0.86 2.85 -1.26 -1.88 118.16 114.51 1n27 n LYS 60 Ca -0.02 0.49 0.00 0.00 -1.05 0.00 0.00 58.31 57.73 1n27 n LYS 60 Cb 0.14 -1.57 0.00 0.00 -0.65 0.00 0.00 35.03 32.95 1n27 n LYS 60 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1n27 n ASP 61 N -1.61 1.65 -4.23 -5.58 8.00 -0.54 -5.07 116.55 109.17 1n27 n ASP 61 Ca 0.00 -1.86 -0.18 0.00 0.71 0.00 0.00 54.79 53.46 1n27 n ASP 61 Cb 0.03 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.00 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 -0.87 2.38 0.05 0.64 1.43 -0.79 -2.64 118.68 118.87 1n27 s LEU 62 Ca 0.01 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1n27 s LEU 62 Cb 0.01 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 1n27 s LEU 62 CO 0.00 -0.13 -0.11 -0.36 0.23 0.00 0.00 176.35 175.98 1n27 s PHE 63 N -1.98 0.99 0.04 0.29 0.08 -0.34 -4.92 117.98 112.13 1n27 s PHE 63 Ca 0.07 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.40 1n27 s PHE 63 Cb -0.06 -0.58 -0.07 0.00 -0.57 0.00 0.00 43.02 41.75 1n27 s PHE 63 CO 0.03 0.00 1.53 -1.25 -0.10 0.00 0.00 175.22 175.43 1n27 s PRO 64 N -1.41 4.24 0.09 0.24 0.04 -1.26 -0.92 135.00 136.01 1n27 s PRO 64 Ca -0.03 2.16 -0.34 0.00 0.04 0.00 0.00 61.00 62.83 1n27 s PRO 64 Cb -0.09 -3.58 -0.16 0.00 0.04 0.00 0.00 34.50 30.72 1n27 s PRO 64 CO 0.01 -0.66 1.59 -0.92 0.04 0.00 0.00 177.00 177.07 1n27 h TYR 65 N 8.06 -1.12 -0.36 0.56 3.20 -1.67 -2.70 116.97 122.94 1n27 h TYR 65 Ca -0.40 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.57 1n27 h TYR 65 Cb 1.19 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.87 1n27 h TYR 65 CO 0.76 -0.59 0.31 0.87 -1.64 0.00 0.00 178.16 177.87 1n27 h LYS 66 N -0.91 0.00 0.47 1.82 1.79 -1.93 0.28 116.57 118.09 1n27 h LYS 66 Ca -0.06 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1n27 h LYS 66 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1n27 h LYS 66 CO -0.01 0.00 -0.23 1.49 -1.08 0.00 0.00 179.45 179.63 1n27 h GLU 67 N 0.00 -0.61 -0.50 3.15 4.22 -1.92 -3.36 114.58 115.57 1n27 h GLU 67 Ca 0.17 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.65 1n27 h GLU 67 Cb 0.78 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1n27 h GLU 67 CO -0.00 -0.41 0.00 0.66 -2.18 0.00 0.00 179.01 177.08 1n27 n TYR 68 N -5.07 0.64 0.24 0.92 4.02 -0.46 -4.51 117.16 112.95 1n27 n TYR 68 Ca -0.08 -0.27 0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1n27 n TYR 68 Cb 0.25 -0.09 0.89 0.00 -0.02 0.00 0.00 39.34 40.36 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 2.04 0.00 0.00 -0.72 3.64 -0.67 0.26 116.57 121.12 1n27 h LYS 69 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1n27 h LYS 69 Cb 0.71 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1n27 h LYS 69 CO 0.07 0.00 -1.42 -0.25 -2.27 0.00 0.00 179.45 175.58 1n27 n ASP 70 N -3.61 3.46 -0.12 4.20 9.92 -1.26 -3.19 116.55 125.96 1n27 n ASP 70 Ca 0.00 -0.02 -0.11 0.00 -0.53 0.00 0.00 54.79 54.13 1n27 n ASP 70 Cb 0.28 0.22 -0.02 0.00 -0.64 0.00 0.00 41.12 40.96 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 0.69 0.00 -1.24 3.64 -1.74 -3.33 116.57 114.59 1n27 h LYS 71 Ca -0.17 -0.26 -0.18 0.00 -1.27 0.00 0.00 60.65 58.78 1n27 h LYS 71 Cb 1.31 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1n27 h LYS 71 CO -0.01 0.84 -1.85 1.19 -2.27 0.00 0.00 179.45 177.34 1n27 n PHE 72 N -4.41 0.00 -2.16 1.91 3.01 0.80 -4.71 117.46 111.90 1n27 n PHE 72 Ca -0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 1n27 n PHE 72 Cb 0.33 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1n27 n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n27 n GLY 73 N 2.03 3.84 3.25 1.37 0.00 -0.59 -4.85 105.19 110.24 1n27 n GLY 73 Ca -0.16 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1n27 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n27 s LYS 74 N 3.02 0.40 0.29 1.61 0.00 -1.26 -4.22 119.74 119.58 1n27 s LYS 74 Ca 0.48 0.67 -0.29 0.00 0.00 0.00 0.00 55.97 56.82 1n27 s LYS 74 Cb 0.09 0.06 -0.10 0.00 0.00 0.00 0.00 37.83 37.88 1n27 s LYS 74 CO -0.02 -0.12 1.41 -1.54 0.00 0.00 0.00 175.35 175.08 1n27 s SER 75 N 0.94 6.65 0.00 0.03 1.04 -1.26 -4.93 113.70 116.16 1n27 s SER 75 Ca -0.06 2.72 0.00 0.00 0.48 0.00 0.00 55.95 59.09 1n27 s SER 75 Cb -0.06 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1n27 s SER 75 CO -0.07 -0.68 0.00 -3.20 0.98 0.00 0.00 173.24 170.27 1n27 n ASN 76 N 1.68 0.00 0.00 7.02 5.15 -1.26 -5.06 115.26 122.79 1n27 n ASN 76 Ca 0.04 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 1n27 n ASN 76 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.65 1n27 n ASN 76 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1n27 n LYS 77 N 0.00 0.00 -1.94 1.20 4.81 -1.26 -5.10 118.16 115.87 1n27 n LYS 77 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1n27 n LYS 77 Cb 0.10 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.13 1n27 n LYS 77 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1n27 s ARG 78 N 0.00 4.22 1.13 1.64 1.81 -1.26 -5.02 118.95 121.47 1n27 s ARG 78 Ca 0.00 2.38 -0.12 0.00 -1.72 0.00 0.00 55.73 56.26 1n27 s ARG 78 Cb 0.00 -3.11 0.27 0.00 -0.45 0.00 0.00 34.95 31.66 1n27 s ARG 78 CO 0.00 -0.52 1.05 0.21 -0.68 0.00 0.00 175.30 175.36 1n27 s LYS 79 N 0.07 -0.67 0.00 3.54 2.47 -1.26 -3.75 119.74 120.14 1n27 s LYS 79 Ca 0.63 1.01 0.00 0.00 -1.56 0.00 0.00 55.97 56.05 1n27 s LYS 79 Cb -0.44 -1.57 0.00 0.00 -1.46 0.00 0.00 37.83 34.36 1n27 s LYS 79 CO 0.40 -3.61 0.00 0.41 0.16 0.00 0.00 175.35 172.71 1n27 n GLY 80 N 0.83 0.74 0.31 5.54 0.00 -1.26 -4.64 105.19 106.70 1n27 n GLY 80 Ca 0.05 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 0.48 -0.11 1.61 3.04 -1.87 -1.81 116.94 118.27 1n27 h PHE 81 Ca 0.00 0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1n27 h PHE 81 Cb 0.00 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 38.44 1n27 h PHE 81 CO 0.00 -0.15 -0.06 -0.91 -2.02 0.00 0.00 178.31 175.17 1n27 h ASN 82 N 0.28 0.25 -0.97 0.41 2.35 -1.83 0.68 115.58 116.75 1n27 h ASN 82 Ca 0.56 -0.42 0.16 0.00 -0.55 0.00 0.00 56.30 56.05 1n27 h ASN 82 Cb 1.10 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 39.31 1n27 h ASN 82 CO -0.60 0.61 0.61 -0.33 -1.65 0.00 0.00 177.43 176.07 1n27 h GLU 83 N -0.12 0.77 0.00 0.81 5.08 -1.81 -0.90 114.58 118.41 1n27 h GLU 83 Ca 0.02 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1n27 h GLU 83 Cb 0.52 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1n27 h GLU 83 CO 0.02 0.51 -0.57 0.78 -1.00 0.00 0.00 179.01 178.75 1n27 h GLY 84 N 0.79 0.00 0.75 -3.84 0.00 -0.82 -2.45 103.07 97.50 1n27 h GLY 84 Ca 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 1n27 h GLY 84 CO -0.29 0.00 -0.04 1.41 0.00 0.00 0.00 176.54 177.62 1n27 h LEU 85 N 0.00 0.28 -0.63 3.11 3.38 0.30 -1.45 115.31 120.30 1n27 h LEU 85 Ca -0.01 -0.38 0.10 0.00 0.09 0.00 0.00 57.88 57.68 1n27 h LEU 85 Cb 1.09 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 1n27 h LEU 85 CO 0.07 0.59 0.24 -0.25 0.09 0.00 0.00 178.44 179.19 1n27 h TRP 86 N -0.03 0.42 0.18 1.13 7.01 -1.16 -1.39 115.95 122.11 1n27 h TRP 86 Ca 0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1n27 h TRP 86 Cb 0.47 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1n27 h TRP 86 CO 0.05 0.11 -0.09 0.93 -2.79 0.00 0.00 178.44 176.66 1n27 h GLU 87 N 0.43 -0.23 -0.02 2.65 4.39 -1.36 -2.22 114.58 118.22 1n27 h GLU 87 Ca 0.32 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.97 1n27 h GLU 87 Cb 0.39 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1n27 h GLU 87 CO -0.31 0.01 -0.28 0.97 -1.16 0.00 0.00 179.01 178.23 1n27 h ILE 88 N -0.44 1.21 -0.05 3.13 2.10 -0.95 0.80 117.51 123.30 1n27 h ILE 88 Ca -0.02 -1.01 -0.13 0.00 1.08 0.00 0.00 64.86 64.78 1n27 h ILE 88 Cb 0.34 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 37.58 1n27 h ILE 88 CO 0.04 0.29 -0.54 -0.33 -1.08 0.00 0.00 178.15 176.53 1n27 h GLU 89 N 0.03 0.15 -0.29 2.19 5.08 -1.24 -3.20 114.58 117.31 1n27 h GLU 89 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1n27 h GLU 89 Cb 0.52 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1n27 h GLU 89 CO 0.04 0.66 0.00 0.09 -1.00 0.00 0.00 179.01 178.79 1n27 n ASN 90 N -3.91 3.08 -4.05 1.42 3.02 -0.56 -4.78 115.26 109.47 1n27 n ASN 90 Ca -0.02 -1.94 -0.36 0.00 -0.03 0.00 0.00 54.58 52.23 1n27 n ASN 90 Cb 0.56 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.48 1n27 n ASN 90 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1n27 n SER 91 N 1.27 2.58 0.00 6.41 7.64 0.17 -4.74 113.62 126.95 1n27 n SER 91 Ca 0.18 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.40 1n27 n SER 91 Cb 0.56 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1n27 n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n27 n GLY 92 N 5.16 0.86 3.39 0.23 0.00 -1.26 -4.79 105.19 108.77 1n27 n GLY 92 Ca 0.47 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 1n27 n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n27 n PRO 93 N 0.96 3.18 0.00 1.61 -0.04 -1.26 -4.38 135.00 135.08 1n27 n PRO 93 Ca 0.00 -3.26 0.00 0.00 -0.04 0.00 0.00 63.50 60.20 1n27 n PRO 93 Cb 0.00 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.09 1n27 n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1n27 n SER 94 N 7.41 0.00 -2.35 3.54 2.88 -1.26 -4.51 113.62 119.33 1n27 n SER 94 Ca 0.47 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.95 1n27 n SER 94 Cb 0.44 -0.15 -0.01 0.00 -0.75 0.00 0.00 64.21 63.75 1n27 n SER 94 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1n27 n SER 95 N 0.17 -2.36 0.00 -3.46 7.64 -1.26 -5.16 113.62 109.19 1n27 n SER 95 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1n27 n SER 95 Cb 0.00 -2.11 0.00 0.00 -1.01 0.00 0.00 64.21 61.09 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64