#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 -0.63 0.00 1.61 1.04 -1.26 -5.05 113.70 109.41 1n27 s SER 2 Ca 0.00 0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.77 1n27 s SER 2 Cb 0.00 1.53 -0.19 0.00 0.10 0.00 0.00 66.02 67.46 1n27 s SER 2 CO 0.00 -0.12 2.87 -0.24 0.98 0.00 0.00 173.24 176.73 1n27 n SER 3 N 5.46 4.36 0.00 7.02 2.88 -1.26 -4.73 113.62 127.35 1n27 n SER 3 Ca -0.05 -2.29 0.00 0.00 -1.33 0.00 0.00 58.87 55.20 1n27 n SER 3 Cb 0.53 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 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 2.43 0.85 2.70 0.46 0.00 -1.26 -5.09 105.19 105.28 1n27 n GLY 4 Ca 0.30 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 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 -5.91 -1.45 1.61 7.64 -1.26 -4.94 113.62 109.31 1n27 n SER 5 Ca 0.00 1.41 0.18 0.00 1.01 0.00 0.00 58.87 61.47 1n27 n SER 5 Cb 0.00 -5.28 -0.08 0.00 -1.01 0.00 0.00 64.21 57.84 1n27 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1n27 n SER 6 N 1.00 -8.28 0.00 6.43 7.64 -1.26 -5.08 113.62 114.07 1n27 n SER 6 Ca -0.12 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1n27 n SER 6 Cb 0.19 -4.78 0.00 0.00 -1.01 0.00 0.00 64.21 58.61 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 -4.30 0.43 3.20 0.23 0.00 -1.26 -5.17 105.19 98.31 1n27 n GLY 7 Ca -0.06 0.63 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 0.38 0.01 1.61 -1.05 -1.26 -5.13 118.70 113.26 1n27 s GLU 8 Ca 0.00 0.37 -0.24 0.00 -0.15 0.00 0.00 54.97 54.95 1n27 s GLU 8 Cb 0.00 0.18 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 1n27 s GLU 8 CO 0.00 -0.05 0.72 0.71 0.95 0.00 0.00 175.26 177.59 1n27 s TYR 9 N 0.02 3.69 0.38 4.83 2.02 -1.26 -5.06 117.35 121.97 1n27 s TYR 9 Ca -0.01 1.38 0.04 0.00 -0.37 0.00 0.00 57.07 58.11 1n27 s TYR 9 Cb -0.02 -2.79 -0.03 0.00 -0.40 0.00 0.00 41.96 38.72 1n27 s TYR 9 CO 0.01 0.24 0.16 0.15 -1.57 0.00 0.00 175.55 174.54 1n27 s LYS 10 N 0.14 1.85 0.34 -0.62 1.02 -1.26 -4.97 119.74 116.24 1n27 s LYS 10 Ca 0.37 -2.11 -0.27 0.00 0.02 0.00 0.00 55.97 53.98 1n27 s LYS 10 Cb -0.19 -0.37 -0.12 0.00 -0.52 0.00 0.00 37.83 36.63 1n27 s LYS 10 CO 0.21 -0.51 1.14 0.00 -0.92 0.00 0.00 175.35 175.27 1n27 n ALA 11 N -0.81 0.54 0.00 5.17 0.00 -1.26 -1.37 120.51 122.78 1n27 n ALA 11 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1n27 n ALA 11 Cb 0.64 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 1.01 2.87 3.55 0.00 0.00 -1.25 -5.01 105.19 106.35 1n27 n GLY 12 Ca 0.07 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 0.65 5.72 0.58 1.61 1.01 -0.47 -4.93 116.67 120.84 1n27 s ASP 13 Ca 0.00 -0.03 -0.19 0.00 0.71 0.00 0.00 52.55 53.04 1n27 s ASP 13 Cb 0.00 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 1n27 s ASP 13 CO 0.00 -2.10 1.20 -0.76 0.21 0.00 0.00 175.17 173.72 1n27 s LEU 14 N 7.39 3.69 0.21 1.23 1.43 -1.26 -2.95 118.68 128.41 1n27 s LEU 14 Ca 0.52 2.36 -0.05 0.00 -1.03 0.00 0.00 54.13 55.93 1n27 s LEU 14 Cb -0.10 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 1n27 s LEU 14 CO 0.18 -1.52 0.23 0.68 0.23 0.00 0.00 176.35 176.15 1n27 s VAL 15 N -1.62 0.01 -0.04 -1.59 -7.23 -0.65 -2.38 120.40 106.90 1n27 s VAL 15 Ca 0.76 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 1n27 s VAL 15 Cb -0.29 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1n27 s VAL 15 CO 0.32 -0.05 0.04 -0.36 -0.31 0.00 0.00 175.10 174.74 1n27 s PHE 16 N -4.10 3.22 -0.23 2.82 0.08 -0.56 -1.65 117.98 117.56 1n27 s PHE 16 Ca 0.32 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1n27 s PHE 16 Cb 0.05 -1.76 0.06 0.00 -0.57 0.00 0.00 43.02 40.80 1n27 s PHE 16 CO 0.10 0.52 -0.05 0.00 -0.10 0.00 0.00 175.22 175.69 1n27 s ALA 17 N -1.05 1.85 -0.51 5.36 0.00 0.55 -1.99 121.76 125.98 1n27 s ALA 17 Ca 0.18 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 50.67 1n27 s ALA 17 Cb -0.12 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.66 1n27 s ALA 17 CO 0.08 -1.17 0.72 0.21 0.00 0.00 0.00 175.76 175.60 1n27 s LYS 18 N 1.45 3.21 0.57 0.00 2.47 -1.22 -1.00 119.74 125.22 1n27 s LYS 18 Ca -0.05 -0.63 -0.07 0.00 -1.56 0.00 0.00 55.97 53.66 1n27 s LYS 18 Cb -0.18 -4.06 -0.01 0.00 -1.46 0.00 0.00 37.83 32.11 1n27 s LYS 18 CO -0.06 -1.26 0.90 -1.64 0.16 0.00 0.00 175.35 173.45 1n27 s MET 19 N 3.04 3.17 0.14 4.03 -1.94 -1.25 -4.98 119.30 121.51 1n27 s MET 19 Ca 0.21 0.19 -0.31 0.00 -1.71 0.00 0.00 55.69 54.06 1n27 s MET 19 Cb -0.16 -2.25 -0.10 0.00 2.01 0.00 0.00 34.83 34.33 1n27 s MET 19 CO 0.15 -0.58 1.59 0.21 -0.01 0.00 0.00 175.02 176.38 1n27 s LYS 20 N -4.98 4.21 -0.87 2.03 2.20 -1.26 -2.19 119.74 118.88 1n27 s LYS 20 Ca 0.53 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 1n27 s LYS 20 Cb -0.11 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1n27 s LYS 20 CO 0.47 -0.64 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 1n27 n GLY 21 N 3.82 0.91 3.34 5.54 0.00 -1.26 -4.99 105.19 112.55 1n27 n GLY 21 Ca 0.14 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 1.62 1.16 1.61 2.02 -0.93 -5.17 117.35 115.66 1n27 s TYR 22 Ca 0.00 -0.71 -0.19 0.00 -0.37 0.00 0.00 57.07 55.79 1n27 s TYR 22 Cb 0.00 -0.84 0.28 0.00 -0.40 0.00 0.00 41.96 41.00 1n27 s TYR 22 CO 0.00 0.20 1.14 -0.35 -1.57 0.00 0.00 175.55 174.97 1n27 n PRO 23 N -0.38 -2.68 -2.20 -1.71 -0.04 -1.26 -4.33 135.00 122.39 1n27 n PRO 23 Ca -0.07 -1.80 -0.31 0.00 -0.04 0.00 0.00 63.50 61.27 1n27 n PRO 23 Cb 0.62 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1n27 n PRO 23 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1n27 s HIS 24 N -3.18 2.04 0.23 0.54 3.76 -1.26 -3.74 115.29 113.67 1n27 s HIS 24 Ca 0.71 0.15 -0.30 0.00 -0.15 0.00 0.00 55.06 55.48 1n27 s HIS 24 Cb -0.06 -4.23 -0.09 0.00 1.11 0.00 0.00 32.58 29.32 1n27 s HIS 24 CO 0.53 -1.73 1.20 -0.46 -0.85 0.00 0.00 174.74 173.44 1n27 s TRP 25 N 8.70 3.39 0.05 1.40 -0.11 -0.17 -4.62 118.94 127.58 1n27 s TRP 25 Ca 0.63 1.46 -0.31 0.00 1.22 0.00 0.00 56.10 59.11 1n27 s TRP 25 Cb -0.04 -3.45 -0.08 0.00 -1.50 0.00 0.00 33.47 28.40 1n27 s TRP 25 CO -0.01 -1.22 1.64 -1.25 -4.62 0.00 0.00 176.95 171.49 1n27 s PRO 26 N -0.69 4.20 0.18 5.86 0.04 -1.26 -0.33 135.00 143.00 1n27 s PRO 26 Ca 0.51 2.29 -0.02 0.00 0.04 0.00 0.00 61.00 63.82 1n27 s PRO 26 Cb -0.34 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 1n27 s PRO 26 CO 0.40 -0.73 0.13 0.00 0.04 0.00 0.00 177.00 176.83 1n27 s ALA 27 N 2.77 0.94 0.07 8.56 0.00 -0.66 -1.53 121.76 131.92 1n27 s ALA 27 Ca 0.73 -1.54 0.06 0.00 0.00 0.00 0.00 51.96 51.21 1n27 s ALA 27 Cb -0.39 1.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1n27 s ALA 27 CO 0.32 -0.57 -0.16 -0.98 0.00 0.00 0.00 175.76 174.37 1n27 s ARG 28 N -4.10 0.96 -0.23 0.00 1.70 -0.29 -1.63 118.95 115.36 1n27 s ARG 28 Ca 0.32 -0.95 -0.24 0.00 -0.47 0.00 0.00 55.73 54.40 1n27 s ARG 28 Cb 0.07 -1.03 -0.01 0.00 -0.57 0.00 0.00 34.95 33.40 1n27 s ARG 28 CO 0.08 0.24 0.78 0.42 -1.08 0.00 0.00 175.30 175.73 1n27 s ILE 29 N -1.10 4.89 0.91 4.99 -1.09 -1.15 -1.62 121.20 127.02 1n27 s ILE 29 Ca 0.02 1.47 -0.11 0.00 -2.23 0.00 0.00 60.65 59.79 1n27 s ILE 29 Cb -0.09 -4.07 0.19 0.00 -1.58 0.00 0.00 42.46 36.91 1n27 s ILE 29 CO 0.02 -0.02 1.24 -0.62 -1.23 0.00 0.00 174.94 174.34 1n27 s ASP 30 N 1.31 3.34 -0.21 3.58 2.15 -0.01 -3.94 116.67 122.89 1n27 s ASP 30 Ca 0.33 -0.01 0.01 0.00 0.43 0.00 0.00 52.55 53.31 1n27 s ASP 30 Cb -0.16 -0.07 0.05 0.00 -0.30 0.00 0.00 42.92 42.44 1n27 s ASP 30 CO 0.09 -2.56 -0.07 -1.83 -0.17 0.00 0.00 175.17 170.63 1n27 s GLU 31 N -5.69 1.69 0.25 4.34 -1.05 -1.26 -4.15 118.70 112.83 1n27 s GLU 31 Ca 0.73 -0.87 -0.30 0.00 -0.15 0.00 0.00 54.97 54.39 1n27 s GLU 31 Cb -0.03 -2.45 -0.09 0.00 -0.44 0.00 0.00 34.13 31.12 1n27 s GLU 31 CO 0.51 -0.53 1.21 -0.51 0.95 0.00 0.00 175.26 176.89 1n27 s LEU 32 N 1.44 4.48 0.82 1.83 1.43 -1.26 -5.02 118.68 122.39 1n27 s LEU 32 Ca -0.03 2.38 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 1n27 s LEU 32 Cb -0.18 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.50 1n27 s LEU 32 CO -0.07 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.09 1n27 s PRO 33 N -1.00 1.93 0.19 1.29 0.04 -1.26 -4.98 135.00 131.21 1n27 s PRO 33 Ca 0.50 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 1n27 s PRO 33 Cb -0.35 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1n27 s PRO 33 CO 0.42 -1.79 1.52 -1.21 0.04 0.00 0.00 177.00 175.98 1n27 s GLU 34 N -5.00 4.24 -0.67 4.56 0.41 -1.26 -3.66 118.70 117.32 1n27 s GLU 34 Ca 0.61 2.33 -0.03 0.00 -0.41 0.00 0.00 54.97 57.47 1n27 s GLU 34 Cb -0.16 -3.14 -0.04 0.00 -1.78 0.00 0.00 34.13 29.00 1n27 s GLU 34 CO 0.56 -0.54 0.59 0.41 -0.49 0.00 0.00 175.26 175.79 1n27 n GLY 35 N 3.21 -0.56 3.32 -1.39 0.00 -1.26 -5.06 105.19 103.45 1n27 n GLY 35 Ca 0.11 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.21 1.15 0.92 4.61 0.00 -1.24 -5.16 121.76 118.83 1n27 s ALA 36 Ca 0.25 -1.69 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 1n27 s ALA 36 Cb -0.03 1.34 0.03 0.00 0.00 0.00 0.00 23.12 24.46 1n27 s ALA 36 CO 0.50 -0.68 0.47 1.55 0.00 0.00 0.00 175.76 177.60 1n27 n VAL 37 N -0.44 0.26 -4.18 0.00 3.14 -1.26 -5.05 118.33 110.80 1n27 n VAL 37 Ca 0.03 -0.21 -0.19 0.00 -2.96 0.00 0.00 64.34 61.02 1n27 n VAL 37 Cb 0.64 -0.66 -0.12 0.00 -1.06 0.00 0.00 33.84 32.63 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 -3.59 0.83 0.80 1.45 -2.85 -1.26 -4.95 119.74 110.17 1n27 s LYS 38 Ca 0.59 -0.96 -0.11 0.00 -1.00 0.00 0.00 55.97 54.48 1n27 s LYS 38 Cb -0.23 -0.85 0.07 0.00 -2.06 0.00 0.00 37.83 34.76 1n27 s LYS 38 CO 0.66 0.19 1.09 -1.25 0.10 0.00 0.00 175.35 176.13 1n27 s PRO 39 N -1.74 2.05 1.05 1.78 0.04 -1.26 -5.05 135.00 131.86 1n27 s PRO 39 Ca -0.02 0.95 -0.18 0.00 0.04 0.00 0.00 61.00 61.80 1n27 s PRO 39 Cb -0.10 -1.89 0.25 0.00 0.04 0.00 0.00 34.50 32.80 1n27 s PRO 39 CO 0.02 -1.73 1.19 -0.35 0.04 0.00 0.00 177.00 176.18 1n27 n PRO 40 N -3.55 -2.02 -1.51 0.56 -0.04 -1.26 -4.77 135.00 122.40 1n27 n PRO 40 Ca 0.08 -1.87 -0.24 0.00 -0.04 0.00 0.00 63.50 61.43 1n27 n PRO 40 Cb 0.54 -1.44 -0.19 0.00 -0.04 0.00 0.00 33.50 32.38 1n27 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n27 n ALA 41 N -4.24 0.87 -3.94 0.55 0.00 -1.26 -0.98 120.51 111.51 1n27 n ALA 41 Ca -0.20 -0.83 -0.31 0.00 0.00 0.00 0.00 53.44 52.10 1n27 n ALA 41 Cb 0.56 -2.54 -0.00 0.00 0.00 0.00 0.00 19.45 17.47 1n27 n ALA 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n27 n ASN 42 N 8.68 -2.17 -4.97 0.00 3.02 -1.26 -4.96 115.26 113.60 1n27 n ASN 42 Ca 0.63 -0.90 -0.20 0.00 -0.03 0.00 0.00 54.58 54.09 1n27 n ASN 42 Cb 0.18 -1.08 0.01 0.00 -0.61 0.00 0.00 39.78 38.29 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 -6.59 2.53 0.08 3.52 1.02 -0.15 -4.36 119.74 115.79 1n27 s LYS 43 Ca 0.28 -1.52 0.04 0.00 0.02 0.00 0.00 55.97 54.79 1n27 s LYS 43 Cb -0.16 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 1n27 s LYS 43 CO 0.67 -0.48 -0.12 0.71 -0.92 0.00 0.00 175.35 175.22 1n27 s TYR 44 N -2.53 1.09 -0.44 3.18 2.02 -0.70 -4.71 117.35 115.27 1n27 s TYR 44 Ca 0.53 -0.55 -0.28 0.00 -0.37 0.00 0.00 57.07 56.40 1n27 s TYR 44 Cb -0.06 -0.60 -0.01 0.00 -0.40 0.00 0.00 41.96 40.89 1n27 s TYR 44 CO 0.32 0.02 1.69 -1.25 -1.57 0.00 0.00 175.55 174.76 1n27 s PRO 45 N -2.22 3.21 -0.35 -1.71 0.04 -1.26 -2.79 135.00 129.92 1n27 s PRO 45 Ca 0.01 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.92 1n27 s PRO 45 Cb -0.07 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 1n27 s PRO 45 CO 0.01 -2.02 0.32 0.42 0.04 0.00 0.00 177.00 175.78 1n27 s ILE 46 N 7.02 5.21 -0.29 0.56 -1.09 0.45 -0.83 121.20 132.23 1n27 s ILE 46 Ca 0.70 -0.07 -0.14 0.00 -2.23 0.00 0.00 60.65 58.91 1n27 s ILE 46 Cb -0.17 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 1n27 s ILE 46 CO 0.29 -0.08 0.31 0.12 -1.23 0.00 0.00 174.94 174.35 1n27 s PHE 47 N 1.92 3.23 -0.28 3.97 5.36 -0.64 -1.44 117.98 130.10 1n27 s PHE 47 Ca 0.10 0.23 -0.29 0.00 -0.96 0.00 0.00 56.93 56.01 1n27 s PHE 47 Cb -0.17 -2.53 0.01 0.00 -0.34 0.00 0.00 43.02 39.99 1n27 s PHE 47 CO 0.11 -0.25 1.13 -0.06 -1.46 0.00 0.00 175.22 174.70 1n27 s PHE 48 N 1.96 3.07 0.72 10.12 0.40 -0.14 -1.14 117.98 132.97 1n27 s PHE 48 Ca 0.12 1.17 -0.14 0.00 -0.60 0.00 0.00 56.93 57.48 1n27 s PHE 48 Cb -0.16 -3.62 0.03 0.00 0.51 0.00 0.00 43.02 39.78 1n27 s PHE 48 CO 0.11 -1.00 1.14 -0.06 0.70 0.00 0.00 175.22 176.10 1n27 s PHE 49 N 3.67 2.35 0.00 0.36 0.08 -0.58 -0.63 117.98 123.23 1n27 s PHE 49 Ca 0.48 1.59 0.00 0.00 0.12 0.00 0.00 56.93 59.12 1n27 s PHE 49 Cb -0.15 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 1n27 s PHE 49 CO 0.15 -2.08 0.00 0.41 -0.10 0.00 0.00 175.22 173.60 1n27 n GLY 50 N -0.30 0.98 0.08 4.36 0.00 -1.26 -4.37 105.19 104.68 1n27 n GLY 50 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 1.08 -0.22 2.61 1.35 -1.79 -3.46 112.91 112.48 1n27 h THR 51 Ca 0.00 -2.84 -0.09 0.00 -0.55 0.00 0.00 66.41 62.93 1n27 h THR 51 Cb 0.00 2.51 -0.04 0.00 -1.73 0.00 0.00 68.15 68.90 1n27 h THR 51 CO 0.00 0.61 -0.08 1.41 -0.25 0.00 0.00 175.52 177.21 1n27 n HIS 52 N -3.13 0.00 -1.42 4.73 -0.00 0.20 -5.02 115.22 110.58 1n27 n HIS 52 Ca -0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.30 1n27 n HIS 52 Cb 0.99 -1.45 0.07 0.00 -0.00 0.00 0.00 29.99 29.61 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 -1.82 2.51 -0.07 -0.41 2.02 -1.23 -4.77 118.70 114.94 1n27 s GLU 53 Ca 0.00 1.15 0.02 0.00 0.02 0.00 0.00 54.97 56.15 1n27 s GLU 53 Cb 0.00 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.32 1n27 s GLU 53 CO 0.00 -1.44 -0.10 0.95 0.02 0.00 0.00 175.26 174.68 1n27 s THR 54 N -2.86 1.02 0.26 3.63 -4.23 -1.26 -0.97 115.64 111.24 1n27 s THR 54 Ca 0.61 -0.40 -0.07 0.00 -1.18 0.00 0.00 61.69 60.65 1n27 s THR 54 Cb -0.17 -0.96 -0.01 0.00 1.34 0.00 0.00 72.50 72.70 1n27 s THR 54 CO 0.53 0.33 0.40 0.00 -0.54 0.00 0.00 174.62 175.34 1n27 s ALA 55 N 0.82 0.39 -0.25 3.99 0.00 -0.52 -5.01 121.76 121.18 1n27 s ALA 55 Ca -0.12 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.61 1n27 s ALA 55 Cb -0.15 1.17 0.05 0.00 0.00 0.00 0.00 23.12 24.19 1n27 s ALA 55 CO 0.02 -0.77 -0.12 -0.06 0.00 0.00 0.00 175.76 174.82 1n27 s PHE 56 N -3.77 3.17 0.13 0.00 0.40 -1.26 -0.41 117.98 116.24 1n27 s PHE 56 Ca 0.29 -2.15 0.10 0.00 -0.60 0.00 0.00 56.93 54.56 1n27 s PHE 56 Cb 0.01 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1n27 s PHE 56 CO 0.13 -0.86 -0.25 -0.51 0.70 0.00 0.00 175.22 174.44 1n27 s LEU 57 N 1.15 2.33 0.54 -0.37 1.43 -1.12 -4.85 118.68 117.78 1n27 s LEU 57 Ca -0.06 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.28 1n27 s LEU 57 Cb -0.19 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 44.95 1n27 s LEU 57 CO -0.06 0.13 0.79 -0.83 0.23 0.00 0.00 176.35 176.61 1n27 s GLY 58 N -2.08 1.65 0.38 -3.19 0.00 -1.26 -1.71 107.32 101.10 1n27 s GLY 58 Ca 0.12 -1.01 0.10 0.00 0.00 0.00 0.00 44.72 43.94 1n27 s GLY 58 CO 0.06 -0.75 1.87 -0.56 0.00 0.00 0.00 173.10 173.72 1n27 h PRO 59 N 0.06 0.15 0.00 2.90 0.13 -1.92 -0.97 132.00 132.36 1n27 h PRO 59 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1n27 h PRO 59 Cb 1.27 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1n27 h PRO 59 CO 0.57 0.38 0.00 1.63 -0.23 0.00 0.00 178.00 180.36 1n27 n LYS 60 N -4.20 0.06 0.01 0.86 5.02 -1.26 -1.13 118.16 117.50 1n27 n LYS 60 Ca -0.01 0.29 0.11 0.00 -2.02 0.00 0.00 58.31 56.68 1n27 n LYS 60 Cb 0.33 -1.60 0.12 0.00 -0.02 0.00 0.00 35.03 33.85 1n27 n LYS 60 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1n27 n ASP 61 N -1.71 0.65 -4.63 4.39 8.00 -0.37 -5.00 116.55 117.88 1n27 n ASP 61 Ca 0.03 -0.43 -0.23 0.00 0.71 0.00 0.00 54.79 54.87 1n27 n ASP 61 Cb 0.19 0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 41.73 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 -3.16 3.16 0.01 0.64 1.43 -0.29 -3.39 118.68 117.09 1n27 s LEU 62 Ca 0.09 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1n27 s LEU 62 Cb 0.17 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1n27 s LEU 62 CO 0.76 0.01 -0.03 -0.36 0.23 0.00 0.00 176.35 176.95 1n27 s PHE 63 N -2.32 0.28 0.09 0.29 0.08 -0.84 -4.93 117.98 110.63 1n27 s PHE 63 Ca 0.31 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.74 1n27 s PHE 63 Cb -0.06 -0.18 -0.09 0.00 -0.57 0.00 0.00 43.02 42.12 1n27 s PHE 63 CO 0.20 -0.09 1.61 -1.25 -0.10 0.00 0.00 175.22 175.59 1n27 s PRO 64 N -0.87 4.21 0.07 0.24 0.04 -1.26 -1.50 135.00 135.93 1n27 s PRO 64 Ca -0.08 2.32 -0.27 0.00 0.04 0.00 0.00 61.00 63.01 1n27 s PRO 64 Cb -0.06 -3.47 -0.13 0.00 0.04 0.00 0.00 34.50 30.89 1n27 s PRO 64 CO -0.00 -0.69 1.42 -0.92 0.04 0.00 0.00 177.00 176.85 1n27 h TYR 65 N 7.86 -1.10 -0.94 0.56 3.20 -1.76 -2.74 116.97 122.04 1n27 h TYR 65 Ca -0.42 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.54 1n27 h TYR 65 Cb 1.20 0.44 -0.07 0.00 1.54 0.00 0.00 36.73 39.84 1n27 h TYR 65 CO 0.74 -0.50 0.59 0.87 -1.64 0.00 0.00 178.16 178.22 1n27 h LYS 66 N -0.71 1.00 -0.34 1.82 1.57 -1.92 0.15 116.57 118.14 1n27 h LYS 66 Ca -0.04 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1n27 h LYS 66 Cb 0.64 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1n27 h LYS 66 CO -0.10 0.66 -0.06 1.49 -0.57 0.00 0.00 179.45 180.87 1n27 h GLU 67 N 1.03 0.56 -0.63 3.15 4.57 -1.93 -2.64 114.58 118.68 1n27 h GLU 67 Ca 0.43 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1n27 h GLU 67 Cb 0.27 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1n27 h GLU 67 CO -0.20 0.63 0.00 0.66 -1.18 0.00 0.00 179.01 178.91 1n27 n TYR 68 N -4.23 0.92 -0.07 0.92 4.02 -0.64 -4.71 117.16 113.36 1n27 n TYR 68 Ca 0.01 -0.52 -0.09 0.00 -0.01 0.00 0.00 57.90 57.30 1n27 n TYR 68 Cb 0.29 -0.04 -0.01 0.00 -0.02 0.00 0.00 39.34 39.56 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 3.73 0.32 0.00 -0.72 3.64 -0.36 0.28 116.57 123.45 1n27 h LYS 69 Ca 0.00 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1n27 h LYS 69 Cb 0.99 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1n27 h LYS 69 CO 0.03 0.21 -0.28 -0.44 -2.27 0.00 0.00 179.45 176.70 1n27 h ASP 70 N 0.32 0.00 0.06 4.20 5.19 -1.84 0.40 116.42 124.75 1n27 h ASP 70 Ca 0.11 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.36 1n27 h ASP 70 Cb 0.01 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.53 1n27 h ASP 70 CO -0.06 0.28 -0.67 0.50 -3.12 0.00 0.00 179.24 176.18 1n27 h LYS 71 N 0.00 0.35 0.00 3.56 3.64 -1.49 -3.41 116.57 119.22 1n27 h LYS 71 Ca -0.00 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1n27 h LYS 71 Cb 1.00 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1n27 h LYS 71 CO 0.04 1.15 -1.07 1.19 -2.27 0.00 0.00 179.45 178.48 1n27 n PHE 72 N -4.20 0.00 -1.08 1.91 3.72 0.83 -4.69 117.46 113.96 1n27 n PHE 72 Ca -0.12 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.99 1n27 n PHE 72 Cb 0.72 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 39.17 1n27 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n27 n GLY 73 N 2.59 3.69 2.98 1.37 0.00 0.13 -4.82 105.19 111.12 1n27 n GLY 73 Ca -0.01 -1.25 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 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 2.32 0.84 -0.63 1.61 -0.14 -1.26 -4.80 119.74 117.69 1n27 s LYS 74 Ca 0.60 -0.25 -0.26 0.00 -1.36 0.00 0.00 55.97 54.70 1n27 s LYS 74 Cb 0.18 -0.80 -0.11 0.00 -1.68 0.00 0.00 37.83 35.42 1n27 s LYS 74 CO -0.04 0.08 2.44 0.43 -0.76 0.00 0.00 175.35 177.50 1n27 n SER 75 N 3.35 1.85 -4.79 2.83 7.64 -1.26 -4.94 113.62 118.30 1n27 n SER 75 Ca -0.19 -0.62 -0.31 0.00 1.01 0.00 0.00 58.87 58.76 1n27 n SER 75 Cb 0.54 -1.49 0.06 0.00 -1.01 0.00 0.00 64.21 62.32 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 11.22 4.99 0.35 6.43 3.84 -1.26 -4.97 114.94 135.53 1n27 s ASN 76 Ca 1.03 1.78 0.16 0.00 0.21 0.00 0.00 52.86 56.04 1n27 s ASN 76 Cb -0.32 -2.52 0.60 0.00 -0.55 0.00 0.00 41.25 38.46 1n27 s ASN 76 CO 0.26 -1.71 1.71 0.50 -2.79 0.00 0.00 177.10 175.08 1n27 h LYS 77 N -0.69 0.00 -6.96 0.43 3.64 -2.01 -3.43 116.57 107.55 1n27 h LYS 77 Ca -0.44 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.41 1n27 h LYS 77 Cb 1.23 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 33.14 1n27 h LYS 77 CO 0.54 0.45 0.64 1.03 -2.27 0.00 0.00 179.45 179.83 1n27 s ARG 78 N -3.67 3.88 0.96 1.90 1.81 -1.26 -5.03 118.95 117.54 1n27 s ARG 78 Ca -0.01 2.23 -0.11 0.00 -1.72 0.00 0.00 55.73 56.12 1n27 s ARG 78 Cb 0.12 -2.72 0.17 0.00 -0.45 0.00 0.00 34.95 32.07 1n27 s ARG 78 CO 0.71 -0.59 1.09 0.15 -0.68 0.00 0.00 175.30 175.98 1n27 s LYS 79 N -2.31 0.70 0.00 3.54 1.02 -1.26 -3.43 119.74 118.00 1n27 s LYS 79 Ca 0.58 1.02 0.00 0.00 0.02 0.00 0.00 55.97 57.60 1n27 s LYS 79 Cb -0.40 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1n27 s LYS 79 CO 0.51 -2.68 0.00 0.41 -0.92 0.00 0.00 175.35 172.67 1n27 n GLY 80 N -0.33 1.03 0.16 -3.33 0.00 -1.26 -4.70 105.19 96.76 1n27 n GLY 80 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 0.34 -0.45 1.61 3.04 -1.88 -1.52 116.94 118.08 1n27 h PHE 81 Ca 0.00 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1n27 h PHE 81 Cb 0.00 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 1n27 h PHE 81 CO 0.00 0.19 0.23 -0.91 -2.02 0.00 0.00 178.31 175.80 1n27 h ASN 82 N 0.38 0.59 0.58 0.41 -0.26 -1.84 -0.97 115.58 114.47 1n27 h ASN 82 Ca 0.15 -0.12 -0.08 0.00 -0.56 0.00 0.00 56.30 55.69 1n27 h ASN 82 Cb 0.05 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1n27 h ASN 82 CO -0.09 0.54 -0.37 -0.33 -1.06 0.00 0.00 177.43 176.12 1n27 h GLU 83 N 0.59 0.00 0.00 0.81 3.07 -1.87 -2.87 114.58 114.31 1n27 h GLU 83 Ca 0.16 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.93 1n27 h GLU 83 Cb 0.10 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1n27 h GLU 83 CO -0.02 0.37 -1.16 0.78 -1.40 0.00 0.00 179.01 177.58 1n27 h GLY 84 N 1.53 0.00 1.79 -3.84 0.00 -1.07 -3.18 103.07 98.30 1n27 h GLY 84 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1n27 h GLY 84 CO 0.05 0.00 0.06 1.41 0.00 0.00 0.00 176.54 178.06 1n27 h LEU 85 N 0.00 0.24 -0.12 3.11 3.38 -0.96 -0.70 115.31 120.26 1n27 h LEU 85 Ca -0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1n27 h LEU 85 Cb 1.31 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1n27 h LEU 85 CO 0.03 0.24 -0.01 -0.25 0.09 0.00 0.00 178.44 178.54 1n27 h TRP 86 N 0.27 0.25 -0.13 1.13 7.01 -1.56 -3.14 115.95 119.78 1n27 h TRP 86 Ca 0.07 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 1n27 h TRP 86 Cb 0.09 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1n27 h TRP 86 CO 0.00 0.48 0.07 0.93 -2.79 0.00 0.00 178.44 177.13 1n27 h GLU 87 N -0.06 0.18 -0.69 2.65 5.08 -1.37 -1.86 114.58 118.52 1n27 h GLU 87 Ca 0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1n27 h GLU 87 Cb 0.39 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1n27 h GLU 87 CO 0.01 0.20 0.27 0.97 -1.00 0.00 0.00 179.01 179.46 1n27 h ILE 88 N 0.11 1.25 -0.60 3.13 2.10 -1.27 -1.40 117.51 120.83 1n27 h ILE 88 Ca 0.05 -0.78 -0.03 0.00 1.08 0.00 0.00 64.86 65.18 1n27 h ILE 88 Cb 0.07 0.46 -0.03 0.00 -1.09 0.00 0.00 36.82 36.24 1n27 h ILE 88 CO -0.01 0.31 0.23 -0.33 -1.08 0.00 0.00 178.15 177.27 1n27 h GLU 89 N 0.98 0.87 0.00 2.19 4.39 -1.48 -1.70 114.58 119.83 1n27 h GLU 89 Ca 0.23 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1n27 h GLU 89 Cb 0.22 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1n27 h GLU 89 CO -0.02 0.72 0.00 0.09 -1.16 0.00 0.00 179.01 178.64 1n27 n ASN 90 N -4.32 0.10 -0.93 1.42 3.02 -0.60 -3.76 115.26 110.19 1n27 n ASN 90 Ca 0.05 0.52 -0.00 0.00 -0.03 0.00 0.00 54.58 55.12 1n27 n ASN 90 Cb 0.17 -0.54 0.07 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.61 2.33 -4.15 6.41 7.64 -0.64 -4.77 113.62 118.84 1n27 n SER 91 Ca 0.04 -2.24 -0.10 0.00 1.01 0.00 0.00 58.87 57.58 1n27 n SER 91 Cb 0.23 -0.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.78 1n27 n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1n27 s GLY 92 N 0.02 0.69 0.00 0.23 0.00 -1.25 -5.04 107.32 101.98 1n27 s GLY 92 Ca 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1n27 s GLY 92 CO 0.03 -1.38 0.69 -1.55 0.00 0.00 0.00 173.10 170.89 1n27 n PRO 93 N 0.10 0.86 -1.87 2.90 -0.04 -1.26 -4.83 135.00 130.85 1n27 n PRO 93 Ca -0.13 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.98 1n27 n PRO 93 Cb 0.60 -1.16 0.04 0.00 -0.04 0.00 0.00 33.50 32.94 1n27 n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1n27 s SER 94 N -0.76 5.06 0.16 3.54 0.01 -1.26 -4.88 113.70 115.57 1n27 s SER 94 Ca 0.00 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.50 1n27 s SER 94 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1n27 s SER 94 CO 0.00 -1.67 0.00 -1.20 0.41 0.00 0.00 173.24 170.78 1n27 n SER 95 N -1.98 -1.22 0.00 2.44 7.64 -1.26 -5.06 113.62 114.18 1n27 n SER 95 Ca 0.12 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1n27 n SER 95 Cb 0.51 1.39 0.00 0.00 -1.01 0.00 0.00 64.21 65.09 1n27 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64