#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm1 s PRO 10 N 0.00 -0.65 0.00 1.97 0.02 -1.26 -4.88 135.00 130.20 1gm1 s PRO 10 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 61.00 60.67 1gm1 s PRO 10 Cb 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.83 1gm1 s PRO 10 CO 0.00 -3.29 0.00 0.41 -0.33 0.00 0.00 177.00 173.79 1gm1 n GLY 11 N -2.33 1.22 3.81 0.52 0.00 -1.25 -5.05 105.19 102.13 1gm1 n GLY 11 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1gm1 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gm1 s ASP 12 N -2.00 6.61 0.08 1.61 2.15 -1.26 -4.69 116.67 119.17 1gm1 s ASP 12 Ca 0.00 1.76 0.07 0.00 0.43 0.00 0.00 52.55 54.82 1gm1 s ASP 12 Cb 0.00 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 1gm1 s ASP 12 CO 0.00 -0.59 -0.14 0.42 -0.17 0.00 0.00 175.17 174.69 1gm1 s THR 13 N -2.19 3.08 -0.01 1.71 -4.23 -1.26 -0.43 115.64 112.31 1gm1 s THR 13 Ca 0.63 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.76 1gm1 s THR 13 Cb -0.12 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1gm1 s THR 13 CO 0.19 0.20 0.25 -0.36 -0.54 0.00 0.00 174.62 174.36 1gm1 s PHE 14 N -1.09 -0.11 0.14 3.99 0.40 -0.59 -5.01 117.98 115.70 1gm1 s PHE 14 Ca 0.18 0.15 -0.14 0.00 -0.60 0.00 0.00 56.93 56.52 1gm1 s PHE 14 Cb -0.11 0.04 -0.07 0.00 0.51 0.00 0.00 43.02 43.40 1gm1 s PHE 14 CO 0.10 -0.34 0.53 -1.21 0.70 0.00 0.00 175.22 175.00 1gm1 s GLU 15 N -1.26 3.94 -0.44 0.44 2.02 -1.26 -1.29 118.70 120.85 1gm1 s GLU 15 Ca -0.13 0.44 0.04 0.00 0.02 0.00 0.00 54.97 55.34 1gm1 s GLU 15 Cb -0.06 -2.93 0.12 0.00 0.10 0.00 0.00 34.13 31.36 1gm1 s GLU 15 CO 0.03 0.48 0.17 0.08 0.02 0.00 0.00 175.26 176.04 1gm1 s VAL 16 N -1.47 2.39 -0.76 2.63 1.01 0.75 -4.97 120.40 119.98 1gm1 s VAL 16 Ca 0.37 -2.85 -0.20 0.00 0.00 0.00 0.00 61.98 59.30 1gm1 s VAL 16 Cb -0.15 -2.71 0.11 0.00 0.00 0.00 0.00 36.38 33.63 1gm1 s VAL 16 CO 0.19 -0.72 0.97 -1.61 0.00 0.00 0.00 175.10 173.93 1gm1 s GLU 17 N 0.27 3.31 -0.03 2.72 2.02 -1.26 -0.30 118.70 125.43 1gm1 s GLU 17 Ca 0.14 -1.36 0.06 0.00 0.02 0.00 0.00 54.97 53.83 1gm1 s GLU 17 Cb -0.23 -4.52 -0.01 0.00 0.10 0.00 0.00 34.13 29.47 1gm1 s GLU 17 CO -0.04 -1.72 -0.20 -1.17 0.02 0.00 0.00 175.26 172.14 1gm1 s LEU 18 N 3.09 2.01 -0.12 1.80 2.96 0.23 -4.93 118.68 123.72 1gm1 s LEU 18 Ca 0.24 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1gm1 s LEU 18 Cb -0.13 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1gm1 s LEU 18 CO 0.01 0.23 0.09 0.00 -1.32 0.00 0.00 176.35 175.36 1gm1 s ALA 19 N -0.33 3.63 0.44 5.97 0.00 -1.26 0.31 121.76 130.52 1gm1 s ALA 19 Ca 0.04 -0.71 -0.24 0.00 0.00 0.00 0.00 51.96 51.06 1gm1 s ALA 19 Cb -0.09 -1.81 -0.08 0.00 0.00 0.00 0.00 23.12 21.14 1gm1 s ALA 19 CO 0.00 0.55 1.18 0.15 0.00 0.00 0.00 175.76 177.64 1gm1 s LYS 20 N -0.79 3.83 -0.51 0.00 1.02 -0.92 -4.79 119.74 117.58 1gm1 s LYS 20 Ca 0.13 1.82 -0.16 0.00 0.02 0.00 0.00 55.97 57.79 1gm1 s LYS 20 Cb -0.12 -2.49 0.11 0.00 -0.52 0.00 0.00 37.83 34.80 1gm1 s LYS 20 CO 0.03 -0.50 0.45 0.95 -0.92 0.00 0.00 175.35 175.36 1gm1 s THR 21 N -1.49 5.21 -1.46 2.17 -4.23 -0.42 -4.52 115.64 110.89 1gm1 s THR 21 Ca 0.62 -1.32 -0.10 0.00 -1.18 0.00 0.00 61.69 59.71 1gm1 s THR 21 Cb -0.30 -4.24 0.05 0.00 1.34 0.00 0.00 72.50 69.35 1gm1 s THR 21 CO 0.37 -0.74 0.90 -0.67 -0.54 0.00 0.00 174.62 173.93 1gm1 n ASP 22 N 5.23 -5.37 0.00 3.99 2.03 -1.26 -1.25 116.55 119.92 1gm1 n ASP 22 Ca -0.13 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.61 1gm1 n ASP 22 Cb 0.42 -4.29 0.00 0.00 -0.72 0.00 0.00 41.12 36.53 1gm1 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gm1 n GLY 23 N -1.68 3.34 3.81 0.27 0.00 -1.26 -5.05 105.19 104.63 1gm1 n GLY 23 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1gm1 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gm1 s SER 24 N -0.91 6.75 -0.12 1.61 0.15 -0.38 -5.00 113.70 115.79 1gm1 s SER 24 Ca 0.00 0.89 -0.06 0.00 0.70 0.00 0.00 55.95 57.48 1gm1 s SER 24 Cb 0.00 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1gm1 s SER 24 CO 0.00 0.27 -0.12 -0.07 1.20 0.00 0.00 173.24 174.52 1gm1 h LEU 25 N 5.12 0.00 0.00 3.45 3.38 -1.95 -1.10 115.31 124.21 1gm1 h LEU 25 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1gm1 h LEU 25 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1gm1 h LEU 25 CO 0.64 0.64 0.00 0.61 0.09 0.00 0.00 178.44 180.43 1gm1 n GLY 26 N 1.67 0.03 3.25 0.83 0.00 -1.26 0.14 105.19 109.85 1gm1 n GLY 26 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1gm1 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gm1 s ILE 27 N -0.84 1.73 -0.04 -0.61 -4.36 -1.26 -0.78 121.20 115.04 1gm1 s ILE 27 Ca 0.00 -1.09 0.05 0.00 -0.26 0.00 0.00 60.65 59.35 1gm1 s ILE 27 Cb 0.00 -1.47 -0.02 0.00 1.25 0.00 0.00 42.46 42.22 1gm1 s ILE 27 CO 0.00 0.35 -0.19 -0.55 0.24 0.00 0.00 174.94 174.79 1gm1 s SER 28 N -0.87 3.61 0.41 4.36 0.15 -0.54 -4.89 113.70 115.92 1gm1 s SER 28 Ca 0.08 -0.32 0.08 0.00 0.70 0.00 0.00 55.95 56.48 1gm1 s SER 28 Cb -0.09 -0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 63.48 1gm1 s SER 28 CO 0.01 0.32 0.23 0.68 1.20 0.00 0.00 173.24 175.67 1gm1 s VAL 29 N -0.60 2.47 0.34 4.45 -7.23 -1.26 -0.08 120.40 118.50 1gm1 s VAL 29 Ca 0.09 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.62 1gm1 s VAL 29 Cb -0.11 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.85 1gm1 s VAL 29 CO 0.00 -0.02 0.51 1.07 -0.31 0.00 0.00 175.10 176.35 1gm1 n THR 30 N -1.31 0.00 -0.27 5.32 5.66 0.92 -4.56 114.28 120.04 1gm1 n THR 30 Ca -0.00 -1.59 0.00 0.00 -3.05 0.00 0.00 64.05 59.41 1gm1 n THR 30 Cb 0.63 1.03 0.00 0.00 -1.55 0.00 0.00 70.33 70.45 1gm1 n THR 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1gm1 n GLY 31 N -0.55 0.58 0.00 1.09 0.00 -1.26 -0.84 105.19 104.22 1gm1 n GLY 31 Ca -0.01 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1gm1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 32 N 0.00 2.68 0.17 -0.02 0.00 0.13 -4.22 105.19 103.93 1gm1 n GLY 32 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 46.02 44.28 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1gm1 h VAL 33 N 0.00 1.33 -0.03 1.61 3.04 -1.18 -2.81 116.25 118.21 1gm1 h VAL 33 Ca 0.00 -1.58 0.00 0.00 -1.01 0.00 0.00 66.70 64.11 1gm1 h VAL 33 Cb 0.00 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 1gm1 h VAL 33 CO 0.00 0.45 0.00 -3.20 -1.01 0.00 0.00 177.57 173.81 1gm1 n ASN 34 N -3.99 1.81 -4.33 3.17 5.15 -1.26 -4.84 115.26 110.96 1gm1 n ASN 34 Ca -0.02 -1.61 -0.28 0.00 -0.60 0.00 0.00 54.58 52.07 1gm1 n ASN 34 Cb 0.48 -0.01 0.16 0.00 -0.53 0.00 0.00 39.78 39.88 1gm1 n ASN 34 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1gm1 s THR 35 N -1.98 2.04 -1.67 -0.44 2.01 -1.06 -4.95 115.64 109.59 1gm1 s THR 35 Ca 0.36 -0.18 0.16 0.00 0.31 0.00 0.00 61.69 62.34 1gm1 s THR 35 Cb 0.21 -2.87 0.36 0.00 0.01 0.00 0.00 72.50 70.21 1gm1 s THR 35 CO 0.32 0.00 1.43 -1.20 -0.69 0.00 0.00 174.62 174.49 1gm1 n SER 36 N -3.47 0.00 -4.68 3.53 7.64 -1.26 -4.67 113.62 110.72 1gm1 n SER 36 Ca 0.15 -0.19 -0.43 0.00 1.01 0.00 0.00 58.87 59.41 1gm1 n SER 36 Cb 0.60 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1gm1 n SER 36 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1gm1 s VAL 37 N -2.33 4.63 0.20 0.44 -7.23 -1.26 -4.96 120.40 109.88 1gm1 s VAL 37 Ca 0.19 1.93 -0.00 0.00 -1.81 0.00 0.00 61.98 62.29 1gm1 s VAL 37 Cb 0.11 -4.24 -0.07 0.00 0.56 0.00 0.00 36.38 32.74 1gm1 s VAL 37 CO 0.22 -0.06 1.49 0.03 -0.31 0.00 0.00 175.10 176.47 1gm1 h ARG 38 N 7.35 0.40 0.09 4.82 3.08 -1.92 -3.33 114.38 124.87 1gm1 h ARG 38 Ca -0.28 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.48 1gm1 h ARG 38 Cb 1.12 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1gm1 h ARG 38 CO 0.90 0.91 -0.04 0.45 -1.07 0.00 0.00 179.97 181.12 1gm1 h HIS 39 N 0.29 -0.11 0.00 3.04 3.86 -1.94 -3.50 115.15 116.79 1gm1 h HIS 39 Ca -0.01 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1gm1 h HIS 39 Cb 1.19 0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1gm1 h HIS 39 CO 0.04 0.32 0.00 0.41 0.86 0.00 0.00 177.93 179.55 1gm1 n GLY 40 N 1.20 0.68 3.77 2.45 0.00 -1.25 -4.96 105.19 107.09 1gm1 n GLY 40 Ca -0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.05 1gm1 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gm1 s GLY 41 N 0.00 -0.20 -0.15 -0.02 0.00 -1.26 -4.74 107.32 100.95 1gm1 s GLY 41 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 44.72 44.60 1gm1 s GLY 41 CO 0.00 -0.02 0.14 -0.42 0.00 0.00 0.00 173.10 172.80 1gm1 s ILE 42 N -3.66 5.48 0.10 0.90 -1.09 -1.26 -0.69 121.20 120.97 1gm1 s ILE 42 Ca 0.10 0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 1gm1 s ILE 42 Cb -0.04 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1gm1 s ILE 42 CO 0.03 0.56 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.90 1gm1 s TYR 43 N -0.56 1.02 0.03 3.97 2.02 -0.02 -1.55 117.35 122.27 1gm1 s TYR 43 Ca 0.13 -0.75 -0.30 0.00 -0.37 0.00 0.00 57.07 55.77 1gm1 s TYR 43 Cb -0.12 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 1gm1 s TYR 43 CO 0.02 -0.04 1.11 0.08 -1.57 0.00 0.00 175.55 175.15 1gm1 s VAL 44 N -2.94 4.37 -0.23 0.71 1.01 0.10 -0.06 120.40 123.35 1gm1 s VAL 44 Ca 0.09 1.70 -0.17 0.00 0.00 0.00 0.00 61.98 63.60 1gm1 s VAL 44 Cb 0.00 -4.09 -0.17 0.00 0.00 0.00 0.00 36.38 32.13 1gm1 s VAL 44 CO -0.01 0.12 0.00 1.17 0.00 0.00 0.00 175.10 176.38 1gm1 n LYS 45 N 3.99 0.59 -3.68 2.72 4.81 0.89 -1.13 118.16 126.35 1gm1 n LYS 45 Ca 0.08 0.43 -0.13 0.00 -0.87 0.00 0.00 58.31 57.81 1gm1 n LYS 45 Cb 0.48 -1.64 -0.07 0.00 0.02 0.00 0.00 35.03 33.82 1gm1 n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gm1 s ALA 46 N -2.44 -1.03 -0.26 3.14 0.00 -0.95 -4.58 121.76 115.64 1gm1 s ALA 46 Ca -0.32 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 1gm1 s ALA 46 Cb 0.09 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 1gm1 s ALA 46 CO 0.57 -0.39 0.12 -1.50 0.00 0.00 0.00 175.76 174.56 1gm1 s ILE 47 N -2.02 4.76 -0.01 0.00 1.10 -1.26 -1.46 121.20 122.29 1gm1 s ILE 47 Ca -0.08 -0.02 -0.30 0.00 -0.51 0.00 0.00 60.65 59.74 1gm1 s ILE 47 Cb -0.02 -3.24 -0.04 0.00 0.15 0.00 0.00 42.46 39.31 1gm1 s ILE 47 CO 0.01 0.31 1.12 -0.63 -2.11 0.00 0.00 174.94 173.64 1gm1 s ILE 48 N 1.61 4.41 0.08 2.00 -1.09 0.04 -4.97 121.20 123.27 1gm1 s ILE 48 Ca 0.06 1.73 -0.34 0.00 -2.23 0.00 0.00 60.65 59.87 1gm1 s ILE 48 Cb -0.15 -4.11 -0.13 0.00 -1.58 0.00 0.00 42.46 36.49 1gm1 s ILE 48 CO 0.07 0.07 1.70 -2.65 -1.23 0.00 0.00 174.94 172.90 1gm1 n PRO 49 N 4.47 2.23 -1.03 2.79 -0.02 -1.26 -2.34 135.00 139.84 1gm1 n PRO 49 Ca 0.09 0.81 -0.01 0.00 -2.02 0.00 0.00 63.50 62.37 1gm1 n PRO 49 Cb 0.48 -2.62 -0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1gm1 n PRO 49 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1gm1 n LYS 50 N 4.70 -0.25 -1.66 -0.52 4.76 -1.26 -5.04 118.16 118.89 1gm1 n LYS 50 Ca 0.19 0.26 -0.31 0.00 -2.87 0.00 0.00 58.31 55.58 1gm1 n LYS 50 Cb 0.30 -3.62 0.05 0.00 -1.84 0.00 0.00 35.03 29.92 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1gm1 s GLY 51 N -2.35 1.65 0.13 0.72 0.00 -0.99 -4.90 107.32 101.59 1gm1 s GLY 51 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.37 1gm1 s GLY 51 CO 0.00 0.28 1.57 0.00 0.00 0.00 0.00 173.10 174.95 1gm1 h ALA 52 N -0.71 -0.63 -0.12 3.20 0.00 -1.35 -1.94 119.26 117.73 1gm1 h ALA 52 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1gm1 h ALA 52 Cb 1.22 0.85 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 1gm1 h ALA 52 CO 0.59 -0.95 0.04 0.00 0.00 0.00 0.00 179.25 178.93 1gm1 h ALA 53 N 0.08 0.15 -0.55 0.00 0.00 -0.62 -2.83 119.26 115.49 1gm1 h ALA 53 Ca 0.08 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1gm1 h ALA 53 Cb 0.63 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1gm1 h ALA 53 CO -0.44 -0.25 -0.40 1.49 0.00 0.00 0.00 179.25 179.65 1gm1 h GLU 54 N 0.02 -0.09 -0.18 0.00 4.22 -1.71 -3.00 114.58 113.84 1gm1 h GLU 54 Ca 0.04 0.01 -0.14 0.00 0.08 0.00 0.00 59.36 59.35 1gm1 h GLU 54 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1gm1 h GLU 54 CO -0.00 -0.06 -0.47 0.77 -2.18 0.00 0.00 179.01 177.07 1gm1 h SER 55 N -0.09 0.51 0.09 1.04 0.02 -1.37 -3.32 113.55 110.42 1gm1 h SER 55 Ca 0.09 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1gm1 h SER 55 Cb 0.33 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1gm1 h SER 55 CO -0.57 0.90 -0.07 -0.78 -1.14 0.00 0.00 176.83 175.18 1gm1 h ASP 56 N 0.38 -0.18 0.00 3.07 3.58 -1.43 -3.48 116.42 118.35 1gm1 h ASP 56 Ca 0.02 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1gm1 h ASP 56 Cb 0.97 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1gm1 h ASP 56 CO 0.09 -0.10 0.00 0.61 -2.88 0.00 0.00 179.24 176.96 1gm1 n GLY 57 N -1.08 1.13 0.06 -0.78 0.00 -1.14 -4.98 105.19 98.39 1gm1 n GLY 57 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1gm1 n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gm1 h ARG 58 N 1.59 0.05 -6.33 1.61 2.47 -1.92 -3.43 114.38 108.43 1gm1 h ARG 58 Ca 0.00 -0.02 -0.54 0.00 -1.26 0.00 0.00 59.98 58.16 1gm1 h ARG 58 Cb 0.00 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1gm1 h ARG 58 CO 0.00 0.33 0.20 0.42 0.56 0.00 0.00 179.97 181.48 1gm1 s ILE 59 N -5.01 4.72 -0.06 2.04 1.01 -1.26 -4.93 121.20 117.71 1gm1 s ILE 59 Ca -0.15 1.71 -0.07 0.00 0.00 0.00 0.00 60.65 62.14 1gm1 s ILE 59 Cb 0.04 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1gm1 s ILE 59 CO 0.68 0.34 0.19 -2.28 0.00 0.00 0.00 174.94 173.87 1gm1 s HIS 60 N 0.07 -0.17 -0.42 3.97 2.46 -1.26 -4.79 115.29 115.15 1gm1 s HIS 60 Ca 0.41 0.40 -0.43 0.00 0.47 0.00 0.00 55.06 55.91 1gm1 s HIS 60 Cb -0.21 0.05 -0.17 0.00 -0.13 0.00 0.00 32.58 32.12 1gm1 s HIS 60 CO 0.24 -0.15 1.86 1.17 -2.47 0.00 0.00 174.74 175.39 1gm1 n LYS 61 N 2.60 0.47 0.00 2.88 4.81 -1.26 -1.89 118.16 125.77 1gm1 n LYS 61 Ca -0.15 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1gm1 n LYS 61 Cb 0.58 -1.80 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1gm1 n LYS 61 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gm1 n GLY 62 N 5.33 0.51 3.83 3.14 0.00 -0.29 -5.00 105.19 112.72 1gm1 n GLY 62 Ca 0.37 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 1gm1 n GLY 62 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gm1 s ASP 63 N -2.28 2.94 -0.26 1.61 1.47 -0.79 -4.56 116.67 114.80 1gm1 s ASP 63 Ca 0.00 0.55 -0.10 0.00 1.18 0.00 0.00 52.55 54.18 1gm1 s ASP 63 Cb 0.00 -0.80 -0.04 0.00 -0.34 0.00 0.00 42.92 41.74 1gm1 s ASP 63 CO 0.00 -2.86 0.14 -0.60 0.68 0.00 0.00 175.17 172.53 1gm1 s ARG 64 N -5.63 3.89 -0.36 2.11 3.52 -1.09 -0.72 118.95 120.66 1gm1 s ARG 64 Ca 0.70 -0.36 -0.23 0.00 -0.13 0.00 0.00 55.73 55.71 1gm1 s ARG 64 Cb -0.08 -3.52 0.01 0.00 -1.56 0.00 0.00 34.95 29.79 1gm1 s ARG 64 CO 0.53 -0.12 0.75 0.08 -0.81 0.00 0.00 175.30 175.73 1gm1 s VAL 65 N 1.54 4.78 -0.20 7.11 1.01 -0.59 -1.98 120.40 132.06 1gm1 s VAL 65 Ca 0.07 0.85 -0.10 0.00 0.00 0.00 0.00 61.98 62.80 1gm1 s VAL 65 Cb -0.15 -4.17 -0.20 0.00 0.00 0.00 0.00 36.38 31.85 1gm1 s VAL 65 CO 0.07 -0.39 0.09 0.18 0.00 0.00 0.00 175.10 175.06 1gm1 n LEU 66 N 6.31 2.42 -3.76 3.92 4.32 -0.28 -4.44 117.00 125.49 1gm1 n LEU 66 Ca 0.02 0.20 -0.13 0.00 -0.02 0.00 0.00 56.01 56.09 1gm1 n LEU 66 Cb 0.48 -0.99 -0.10 0.00 -1.62 0.00 0.00 43.42 41.19 1gm1 n LEU 66 CO 0.52 0.69 0.02 0.00 -1.22 0.00 0.00 177.39 177.40 1gm1 s ALA 67 N -2.50 -0.84 -0.21 -1.18 0.00 -0.93 -0.66 121.76 115.45 1gm1 s ALA 67 Ca -0.29 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1gm1 s ALA 67 Cb 0.08 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1gm1 s ALA 67 CO 0.65 -0.19 -0.14 0.08 0.00 0.00 0.00 175.76 176.16 1gm1 s VAL 68 N -0.17 2.39 -1.31 0.00 1.01 0.07 -0.89 120.40 121.50 1gm1 s VAL 68 Ca -0.03 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1gm1 s VAL 68 Cb -0.03 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1gm1 s VAL 68 CO 0.01 0.38 0.77 -3.20 0.00 0.00 0.00 175.10 173.06 1gm1 n ASN 69 N 4.62 -5.77 0.00 3.32 5.15 0.78 -1.44 115.26 121.92 1gm1 n ASN 69 Ca -0.19 -0.35 0.00 0.00 -0.60 0.00 0.00 54.58 53.44 1gm1 n ASN 69 Cb 0.48 -4.50 0.00 0.00 -0.53 0.00 0.00 39.78 35.23 1gm1 n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gm1 n GLY 70 N -1.62 2.88 3.62 8.20 0.00 -1.17 -4.88 105.19 112.22 1gm1 n GLY 70 Ca -0.05 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1gm1 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gm1 s VAL 71 N -2.20 5.04 0.15 1.61 1.01 -0.52 -5.01 120.40 120.47 1gm1 s VAL 71 Ca 0.00 0.93 -0.31 0.00 0.00 0.00 0.00 61.98 62.59 1gm1 s VAL 71 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.42 1gm1 s VAL 71 CO 0.00 0.05 1.51 -0.44 0.00 0.00 0.00 175.10 176.21 1gm1 s SER 72 N 1.54 6.66 -1.31 3.32 0.01 -1.26 -0.75 113.70 121.90 1gm1 s SER 72 Ca 0.23 2.53 -0.06 0.00 1.31 0.00 0.00 55.95 59.96 1gm1 s SER 72 Cb -0.16 -2.59 0.13 0.00 0.21 0.00 0.00 66.02 63.61 1gm1 s SER 72 CO 0.09 -0.77 2.28 0.18 0.41 0.00 0.00 173.24 175.44 1gm1 n LEU 73 N 3.87 7.78 -4.78 2.44 4.77 0.17 -4.93 117.00 126.32 1gm1 n LEU 73 Ca 0.13 -4.84 -0.38 0.00 -0.03 0.00 0.00 56.01 50.88 1gm1 n LEU 73 Cb 0.40 -1.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 1gm1 n LEU 73 CO 0.60 1.93 0.24 -1.61 -1.33 0.00 0.00 177.39 177.23 1gm1 s GLU 74 N -0.86 4.23 -0.14 3.23 2.02 -1.26 -4.24 118.70 121.68 1gm1 s GLU 74 Ca 0.51 0.64 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1gm1 s GLU 74 Cb 0.17 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1gm1 s GLU 74 CO -0.07 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.06 1gm1 n GLY 75 N 2.31 0.40 3.77 -1.39 0.00 -1.26 -4.98 105.19 104.05 1gm1 n GLY 75 Ca -0.09 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1gm1 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm1 s ALA 76 N -1.68 3.23 0.83 4.61 0.00 -1.26 -4.76 121.76 122.74 1gm1 s ALA 76 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1gm1 s ALA 76 Cb 0.00 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.89 1gm1 s ALA 76 CO 0.00 -0.39 1.18 0.95 0.00 0.00 0.00 175.76 177.50 1gm1 s THR 77 N -1.37 2.07 0.20 0.00 -4.23 -1.26 -0.69 115.64 110.36 1gm1 s THR 77 Ca 0.53 -0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 1gm1 s THR 77 Cb -0.30 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 70.71 1gm1 s THR 77 CO 0.38 0.00 1.79 -0.74 -0.54 0.00 0.00 174.62 175.52 1gm1 h HIS 78 N -1.12 1.03 -0.35 3.99 2.76 -1.89 -2.81 115.15 116.77 1gm1 h HIS 78 Ca -0.44 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 57.70 1gm1 h HIS 78 Cb 1.29 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.90 1gm1 h HIS 78 CO -0.27 0.76 0.19 -0.22 -1.30 0.00 0.00 177.93 177.09 1gm1 h LYS 79 N 1.01 0.37 -0.37 5.26 3.11 -1.94 -3.18 116.57 120.83 1gm1 h LYS 79 Ca 0.25 -0.02 0.05 0.00 -2.81 0.00 0.00 60.65 58.12 1gm1 h LYS 79 Cb 0.11 -0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.21 1gm1 h LYS 79 CO -0.03 0.25 0.10 0.37 -2.81 0.00 0.00 179.45 177.33 1gm1 h GLN 80 N 0.38 0.23 -0.99 1.90 -0.00 -1.88 -0.92 115.11 113.84 1gm1 h GLN 80 Ca 0.14 -0.01 0.08 0.00 -0.00 0.00 0.00 58.65 58.85 1gm1 h GLN 80 Cb 0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 27.48 27.39 1gm1 h GLN 80 CO -0.08 0.15 0.64 0.00 0.00 0.00 0.00 178.83 179.54 1gm1 h ALA 81 N 1.26 1.44 0.19 3.38 0.00 -1.59 -1.91 119.26 122.04 1gm1 h ALA 81 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1gm1 h ALA 81 Cb 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gm1 h ALA 81 CO -0.21 0.39 -0.09 0.28 0.00 0.00 0.00 179.25 179.62 1gm1 h VAL 82 N 1.12 0.90 -0.59 0.00 2.07 -1.32 -1.98 116.25 116.46 1gm1 h VAL 82 Ca 0.44 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1gm1 h VAL 82 Cb 0.23 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1gm1 h VAL 82 CO -0.18 0.18 0.39 1.05 0.02 0.00 0.00 177.57 179.03 1gm1 h GLU 83 N -0.70 0.77 -0.93 1.57 4.11 -1.10 0.80 114.58 119.11 1gm1 h GLU 83 Ca -0.03 -0.05 0.05 0.00 0.07 0.00 0.00 59.36 59.41 1gm1 h GLU 83 Cb 0.49 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1gm1 h GLU 83 CO 0.04 0.51 0.59 1.15 0.07 0.00 0.00 179.01 181.38 1gm1 h THR 84 N 0.80 1.09 -0.35 -1.06 2.02 -1.45 -0.71 112.91 113.25 1gm1 h THR 84 Ca 0.22 -0.38 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 1gm1 h THR 84 Cb -0.09 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.21 1gm1 h THR 84 CO -0.05 0.20 -0.21 -0.07 0.37 0.00 0.00 175.52 175.76 1gm1 h LEU 85 N 1.10 0.79 -1.04 2.58 3.38 -0.63 -3.27 115.31 118.22 1gm1 h LEU 85 Ca 0.39 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gm1 h LEU 85 Cb 0.12 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1gm1 h LEU 85 CO -0.16 1.04 0.55 0.03 0.09 0.00 0.00 178.44 179.99 1gm1 h ARG 86 N 0.54 1.20 -1.96 1.13 2.47 -0.57 -3.08 114.38 114.11 1gm1 h ARG 86 Ca 0.07 -0.10 -0.34 0.00 -1.26 0.00 0.00 59.98 58.35 1gm1 h ARG 86 Cb 0.77 -0.26 -0.12 0.00 -1.65 0.00 0.00 29.97 28.71 1gm1 h ARG 86 CO 0.06 0.83 0.08 -1.71 0.56 0.00 0.00 179.97 179.79 1gm1 n ASN 87 N -4.37 5.94 -4.79 7.04 5.15 -0.30 -4.87 115.26 119.07 1gm1 n ASN 87 Ca 0.10 -2.87 -0.24 0.00 -0.60 0.00 0.00 54.58 50.97 1gm1 n ASN 87 Cb 0.05 -1.28 -0.05 0.00 -0.53 0.00 0.00 39.78 37.97 1gm1 n ASN 87 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1gm1 s THR 88 N -0.90 4.31 0.00 -0.44 -4.23 -1.17 -4.97 115.64 108.24 1gm1 s THR 88 Ca 0.56 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1gm1 s THR 88 Cb 0.32 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1gm1 s THR 88 CO -0.11 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1gm1 n GLY 89 N -0.82 1.85 0.15 3.99 0.00 -1.26 -5.05 105.19 104.05 1gm1 n GLY 89 Ca -0.08 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 1gm1 n GLY 89 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gm1 h GLN 90 N 0.00 -0.34 -5.48 1.61 4.20 -1.99 -3.45 115.11 109.66 1gm1 h GLN 90 Ca 0.00 0.02 -0.62 0.00 0.06 0.00 0.00 58.65 58.11 1gm1 h GLN 90 Cb 0.00 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 27.76 1gm1 h GLN 90 CO 0.00 -0.23 -0.43 0.54 -0.67 0.00 0.00 178.83 178.04 1gm1 s VAL 91 N -2.98 5.39 -0.09 -0.54 0.11 -1.26 -2.16 120.40 118.87 1gm1 s VAL 91 Ca -0.05 0.32 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 1gm1 s VAL 91 Cb 0.01 -3.50 0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1gm1 s VAL 91 CO 0.16 0.49 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.55 1gm1 s VAL 92 N -0.13 1.57 -0.60 2.04 1.01 0.15 -4.96 120.40 119.48 1gm1 s VAL 92 Ca 0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1gm1 s VAL 92 Cb -0.12 -1.40 0.16 0.00 0.00 0.00 0.00 36.38 35.02 1gm1 s VAL 92 CO 0.02 0.45 0.45 -1.00 0.00 0.00 0.00 175.10 175.02 1gm1 s HIS 93 N 0.63 3.50 0.37 5.22 3.76 -1.26 -0.61 115.29 126.90 1gm1 s HIS 93 Ca -0.14 -2.34 0.02 0.00 -0.15 0.00 0.00 55.06 52.45 1gm1 s HIS 93 Cb -0.16 -3.39 -0.02 0.00 1.11 0.00 0.00 32.58 30.12 1gm1 s HIS 93 CO 0.04 -0.92 0.56 -0.51 -0.85 0.00 0.00 174.74 173.06 1gm1 s LEU 94 N 0.48 3.92 -0.04 0.89 1.43 0.59 -0.16 118.68 125.79 1gm1 s LEU 94 Ca 0.13 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1gm1 s LEU 94 Cb -0.20 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1gm1 s LEU 94 CO -0.04 -0.42 -0.11 -0.22 0.23 0.00 0.00 176.35 175.79 1gm1 s LEU 95 N -4.34 1.71 0.10 1.79 0.20 -0.07 -0.18 118.68 117.89 1gm1 s LEU 95 Ca 0.43 -0.24 -0.03 0.00 0.69 0.00 0.00 54.13 54.97 1gm1 s LEU 95 Cb -0.10 -0.70 -0.03 0.00 -0.43 0.00 0.00 46.19 44.93 1gm1 s LEU 95 CO 0.35 0.05 0.07 -1.48 -0.29 0.00 0.00 176.35 175.06 1gm1 s LEU 96 N 0.41 1.88 -0.06 -0.68 -0.00 -0.41 -1.13 118.68 118.69 1gm1 s LEU 96 Ca -0.08 -1.00 0.03 0.00 -0.00 0.00 0.00 54.13 53.07 1gm1 s LEU 96 Cb -0.12 0.49 -0.02 0.00 -0.00 0.00 0.00 46.19 46.53 1gm1 s LEU 96 CO 0.02 -0.70 -0.13 -0.70 -0.00 0.00 0.00 176.35 174.84 1gm1 s GLU 97 N -3.96 2.66 0.15 1.48 2.12 -0.84 -1.55 118.70 118.77 1gm1 s GLU 97 Ca 0.14 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.50 1gm1 s GLU 97 Cb 0.07 -2.45 -0.07 0.00 0.26 0.00 0.00 34.13 31.94 1gm1 s GLU 97 CO -0.05 0.57 1.10 0.21 -0.54 0.00 0.00 175.26 176.56 1gm1 s LYS 98 N -0.59 4.57 0.51 4.30 2.47 0.43 -2.68 119.74 128.75 1gm1 s LYS 98 Ca 0.09 1.70 -0.20 0.00 -1.56 0.00 0.00 55.97 55.99 1gm1 s LYS 98 Cb -0.11 -3.30 -0.07 0.00 -1.46 0.00 0.00 37.83 32.88 1gm1 s LYS 98 CO 0.01 0.03 1.09 0.20 0.16 0.00 0.00 175.35 176.84 1gm1 s GLY 99 N 0.12 2.60 0.95 5.54 0.00 -1.26 -3.75 107.32 111.52 1gm1 s GLY 99 Ca 0.51 0.74 -0.14 0.00 0.00 0.00 0.00 44.72 45.83 1gm1 s GLY 99 CO 0.33 1.09 1.30 -0.86 0.00 0.00 0.00 173.10 174.96 1gm1 s GLN 100 N -3.18 0.63 0.32 2.90 -2.07 -1.26 -4.79 119.66 112.21 1gm1 s GLN 100 Ca 0.69 -0.58 -0.18 0.00 -1.82 0.00 0.00 55.36 53.47 1gm1 s GLN 100 Cb -0.21 -1.90 -0.09 0.00 -1.09 0.00 0.00 33.01 29.71 1gm1 s GLN 100 CO 0.25 -2.38 0.79 0.14 -1.32 0.00 0.00 175.29 172.77 1gm1 s VAL 101 N -3.82 4.57 -2.00 3.63 -7.23 -1.26 -5.11 120.40 109.18 1gm1 s VAL 101 Ca 0.74 1.18 0.26 0.00 -1.81 0.00 0.00 61.98 62.35 1gm1 s VAL 101 Cb -0.03 -3.69 0.75 0.00 0.56 0.00 0.00 36.38 33.97 1gm1 s VAL 101 CO 0.52 -0.11 1.92 -0.81 -0.31 0.00 0.00 175.10 176.32