#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 -0.35 0.00 1.97 0.04 -1.26 -4.70 135.00 130.69 1gm1 s PRO 10 Ca 0.00 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.65 1gm1 s PRO 10 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1gm1 s PRO 10 CO 0.00 -3.08 0.00 0.41 0.04 0.00 0.00 177.00 174.37 1gm1 n GLY 11 N -2.74 0.24 0.05 0.56 0.00 -1.26 -4.93 105.19 97.12 1gm1 n GLY 11 Ca 0.16 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 1gm1 n GLY 11 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gm1 n ASP 12 N 0.00 1.18 -4.32 1.61 2.03 -1.26 -4.29 116.55 111.50 1gm1 n ASP 12 Ca 0.00 0.20 -0.21 0.00 0.52 0.00 0.00 54.79 55.31 1gm1 n ASP 12 Cb 0.00 -0.65 -0.11 0.00 -0.72 0.00 0.00 41.12 39.64 1gm1 n ASP 12 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1gm1 s THR 13 N -2.16 1.72 -0.06 5.18 -4.23 -1.26 0.08 115.64 114.91 1gm1 s THR 13 Ca -0.18 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 58.36 1gm1 s THR 13 Cb 0.02 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 72.08 1gm1 s THR 13 CO 0.26 -0.35 0.19 0.72 -0.54 0.00 0.00 174.62 174.90 1gm1 s PHE 14 N -2.13 -0.16 -0.19 3.99 -0.12 -0.36 -4.91 117.98 114.10 1gm1 s PHE 14 Ca 0.15 0.39 -0.15 0.00 -0.05 0.00 0.00 56.93 57.27 1gm1 s PHE 14 Cb -0.05 0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 1gm1 s PHE 14 CO 0.06 -0.15 0.34 -1.21 -0.05 0.00 0.00 175.22 174.21 1gm1 s GLU 15 N -0.26 4.19 -0.21 1.99 2.02 -1.26 -1.60 118.70 123.57 1gm1 s GLU 15 Ca -0.04 0.12 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1gm1 s GLU 15 Cb -0.03 -3.51 0.02 0.00 0.10 0.00 0.00 34.13 30.72 1gm1 s GLU 15 CO 0.01 0.05 -0.15 0.08 0.02 0.00 0.00 175.26 175.27 1gm1 s VAL 16 N 1.05 2.33 -0.87 2.63 1.01 -0.37 -4.98 120.40 121.20 1gm1 s VAL 16 Ca 0.17 -1.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1gm1 s VAL 16 Cb -0.14 -2.08 0.23 0.00 0.00 0.00 0.00 36.38 34.39 1gm1 s VAL 16 CO 0.07 0.39 0.82 -1.61 0.00 0.00 0.00 175.10 174.76 1gm1 s GLU 17 N 1.29 3.66 -0.07 2.72 2.02 -1.26 0.17 118.70 127.23 1gm1 s GLU 17 Ca 0.02 -2.62 -0.12 0.00 0.02 0.00 0.00 54.97 52.26 1gm1 s GLU 17 Cb -0.15 -4.41 -0.05 0.00 0.10 0.00 0.00 34.13 29.62 1gm1 s GLU 17 CO -0.10 -1.28 0.31 -1.17 0.02 0.00 0.00 175.26 173.05 1gm1 s LEU 18 N -0.14 4.40 -0.20 1.80 2.96 -0.15 -4.86 118.68 122.48 1gm1 s LEU 18 Ca 0.20 0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 54.75 1gm1 s LEU 18 Cb -0.10 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1gm1 s LEU 18 CO -0.09 0.29 0.11 0.00 -1.32 0.00 0.00 176.35 175.35 1gm1 s ALA 19 N -0.70 3.57 0.23 5.97 0.00 -1.26 0.58 121.76 130.16 1gm1 s ALA 19 Ca 0.20 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 1gm1 s ALA 19 Cb -0.15 -2.11 -0.09 0.00 0.00 0.00 0.00 23.12 20.77 1gm1 s ALA 19 CO 0.09 0.09 1.25 0.15 0.00 0.00 0.00 175.76 177.35 1gm1 s LYS 20 N 0.50 4.44 -0.24 0.00 1.02 -0.34 -4.88 119.74 120.25 1gm1 s LYS 20 Ca 0.06 2.01 -0.07 0.00 0.02 0.00 0.00 55.97 58.00 1gm1 s LYS 20 Cb -0.12 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1gm1 s LYS 20 CO -0.00 -0.14 0.04 0.95 -0.92 0.00 0.00 175.35 175.29 1gm1 s THR 21 N -0.35 4.15 -1.30 2.17 -4.23 -1.19 -4.54 115.64 110.34 1gm1 s THR 21 Ca 0.53 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1gm1 s THR 21 Cb -0.36 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.57 1gm1 s THR 21 CO 0.41 0.37 0.79 -0.67 -0.54 0.00 0.00 174.62 174.98 1gm1 n ASP 22 N 4.76 -1.71 0.00 3.99 2.03 -1.26 -3.04 116.55 121.31 1gm1 n ASP 22 Ca -0.17 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.37 1gm1 n ASP 22 Cb 0.51 -4.27 0.00 0.00 -0.72 0.00 0.00 41.12 36.65 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 -1.51 1.93 3.41 0.27 0.00 -1.26 -4.96 105.19 103.07 1gm1 n GLY 23 Ca -0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.30 3.27 -0.15 1.61 0.15 -1.17 -5.04 113.70 109.07 1gm1 s SER 24 Ca 0.00 -0.91 -0.12 0.00 0.70 0.00 0.00 55.95 55.62 1gm1 s SER 24 Cb 0.00 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 1gm1 s SER 24 CO 0.00 0.05 -0.23 0.18 1.20 0.00 0.00 173.24 174.44 1gm1 n LEU 25 N 0.02 1.78 0.00 3.45 4.77 -1.26 -3.17 117.00 122.58 1gm1 n LEU 25 Ca -0.11 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1gm1 n LEU 25 Cb 0.57 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1gm1 n LEU 25 CO 0.32 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1gm1 n GLY 26 N 1.56 0.84 3.12 -0.72 0.00 -1.26 0.14 105.19 108.87 1gm1 n GLY 26 Ca -0.09 0.00 -0.22 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 -1.50 1.15 -0.21 -0.61 -4.36 -1.26 -1.08 121.20 113.33 1gm1 s ILE 27 Ca 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 1gm1 s ILE 27 Cb 0.00 -0.98 0.02 0.00 1.25 0.00 0.00 42.46 42.76 1gm1 s ILE 27 CO 0.00 0.27 -0.13 -0.55 0.24 0.00 0.00 174.94 174.76 1gm1 s SER 28 N -0.50 3.76 0.27 4.36 0.15 -0.38 -4.92 113.70 116.44 1gm1 s SER 28 Ca 0.05 -0.78 0.08 0.00 0.70 0.00 0.00 55.95 56.00 1gm1 s SER 28 Cb -0.06 -1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.64 1gm1 s SER 28 CO -0.00 -0.06 0.14 0.68 1.20 0.00 0.00 173.24 175.19 1gm1 s VAL 29 N 1.30 3.99 0.05 4.45 -7.23 -1.26 -0.02 120.40 121.68 1gm1 s VAL 29 Ca 0.02 -1.58 -0.14 0.00 -1.81 0.00 0.00 61.98 58.46 1gm1 s VAL 29 Cb -0.15 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.63 1gm1 s VAL 29 CO -0.08 -0.34 0.32 0.28 -0.31 0.00 0.00 175.10 174.97 1gm1 s THR 30 N -2.22 0.08 0.00 5.32 -1.32 0.33 -4.73 115.64 113.09 1gm1 s THR 30 Ca 0.33 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1gm1 s THR 30 Cb -0.07 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 1gm1 s THR 30 CO 0.23 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1gm1 n GLY 31 N 0.46 0.18 0.00 6.08 0.00 -1.26 -0.31 105.19 110.33 1gm1 n GLY 31 Ca -0.18 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.33 0.62 -0.02 0.00 -0.93 -4.63 105.19 100.57 1gm1 n GLY 32 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gm1 n VAL 33 N 1.59 0.00 0.49 1.61 0.31 -1.26 -1.10 118.33 119.97 1gm1 n VAL 33 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 1gm1 n VAL 33 Cb 0.00 -0.80 0.46 0.00 -0.91 0.00 0.00 33.84 32.59 1gm1 n VAL 33 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1gm1 n ASN 34 N -2.55 0.75 0.00 4.52 6.94 -1.26 -3.88 115.26 119.78 1gm1 n ASN 34 Ca 0.00 0.63 0.00 0.00 -0.02 0.00 0.00 54.58 55.19 1gm1 n ASN 34 Cb 0.37 -0.81 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 1gm1 n ASN 34 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1gm1 n THR 35 N -2.27 0.00 -0.01 5.53 -2.24 -1.26 -4.97 114.28 109.05 1gm1 n THR 35 Ca 0.04 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.62 1gm1 n THR 35 Cb 0.32 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.41 1gm1 n THR 35 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1gm1 n SER 36 N 0.00 1.91 -4.56 3.42 3.41 -1.26 -4.70 113.62 111.83 1gm1 n SER 36 Ca 0.00 0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 58.38 1gm1 n SER 36 Cb 0.00 -0.68 -0.00 0.00 -0.26 0.00 0.00 64.21 63.27 1gm1 n SER 36 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gm1 s VAL 37 N -2.56 4.23 0.50 -3.33 0.11 -1.26 -4.81 120.40 113.28 1gm1 s VAL 37 Ca -0.21 -1.89 0.23 0.00 -2.93 0.00 0.00 61.98 57.18 1gm1 s VAL 37 Cb 0.07 -5.14 0.29 0.00 -1.53 0.00 0.00 36.38 30.07 1gm1 s VAL 37 CO 0.76 -1.96 2.13 0.08 -3.33 0.00 0.00 175.10 172.78 1gm1 h ARG 38 N 7.77 0.00 -0.44 1.54 0.11 -1.84 -2.21 114.38 119.31 1gm1 h ARG 38 Ca 0.40 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.39 1gm1 h ARG 38 Cb 0.89 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.95 1gm1 h ARG 38 CO 1.42 0.08 -0.10 1.25 0.10 0.00 0.00 179.97 182.72 1gm1 h HIS 39 N 0.00 0.85 0.00 4.08 2.76 -1.87 -3.47 115.15 117.49 1gm1 h HIS 39 Ca -0.00 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1gm1 h HIS 39 Cb 0.17 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.91 1gm1 h HIS 39 CO 0.00 0.84 0.00 0.41 -1.30 0.00 0.00 177.93 177.88 1gm1 n GLY 40 N -0.46 1.29 3.62 5.26 0.00 -0.83 -5.03 105.19 109.04 1gm1 n GLY 40 Ca 0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.22 -0.27 -0.02 0.00 -0.26 -5.00 107.32 101.55 1gm1 s GLY 41 Ca 0.00 2.91 -0.15 0.00 0.00 0.00 0.00 44.72 47.48 1gm1 s GLY 41 CO 0.00 2.64 0.36 -0.42 0.00 0.00 0.00 173.10 175.68 1gm1 s ILE 42 N 1.62 5.18 0.17 0.90 -1.09 -1.26 -2.18 121.20 124.54 1gm1 s ILE 42 Ca -0.08 0.52 0.10 0.00 -2.23 0.00 0.00 60.65 58.95 1gm1 s ILE 42 Cb -0.05 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1gm1 s ILE 42 CO -0.17 0.15 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.18 1gm1 s TYR 43 N 2.05 2.01 -0.20 3.97 1.51 0.57 -2.02 117.35 125.24 1gm1 s TYR 43 Ca 0.14 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.49 1gm1 s TYR 43 Cb -0.16 -1.00 -0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1gm1 s TYR 43 CO 0.10 0.39 1.20 0.08 -1.11 0.00 0.00 175.55 176.21 1gm1 s VAL 44 N -1.83 4.39 -0.17 0.71 1.01 0.78 -0.52 120.40 124.78 1gm1 s VAL 44 Ca 0.17 1.66 -0.18 0.00 0.00 0.00 0.00 61.98 63.63 1gm1 s VAL 44 Cb -0.07 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.97 1gm1 s VAL 44 CO 0.08 -0.20 0.35 0.50 0.00 0.00 0.00 175.10 175.83 1gm1 h LYS 45 N 8.10 0.10 -3.08 2.72 3.64 -0.73 -0.20 116.57 127.12 1gm1 h LYS 45 Ca -0.24 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 58.95 1gm1 h LYS 45 Cb 1.09 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.86 1gm1 h LYS 45 CO 0.98 1.08 0.16 0.00 -2.27 0.00 0.00 179.45 179.40 1gm1 s ALA 46 N -2.41 -1.41 -0.14 5.00 0.00 -0.98 -4.67 121.76 117.15 1gm1 s ALA 46 Ca -0.25 0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1gm1 s ALA 46 Cb 0.05 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 24.02 1gm1 s ALA 46 CO 0.67 -0.78 -0.16 -1.50 0.00 0.00 0.00 175.76 173.98 1gm1 s ILE 47 N -3.78 2.64 -0.14 0.00 1.10 -1.26 -1.25 121.20 118.50 1gm1 s ILE 47 Ca 0.03 -0.79 -0.29 0.00 -0.51 0.00 0.00 60.65 59.08 1gm1 s ILE 47 Cb -0.01 -2.10 -0.01 0.00 0.15 0.00 0.00 42.46 40.49 1gm1 s ILE 47 CO -0.10 0.52 1.14 -0.63 -2.11 0.00 0.00 174.94 173.77 1gm1 s ILE 48 N 0.64 4.47 -0.03 2.00 1.09 -0.24 -4.98 121.20 124.15 1gm1 s ILE 48 Ca -0.09 1.78 -0.34 0.00 -1.10 0.00 0.00 60.65 60.90 1gm1 s ILE 48 Cb -0.16 -4.14 -0.12 0.00 -1.06 0.00 0.00 42.46 36.98 1gm1 s ILE 48 CO 0.02 -0.09 1.82 -2.65 -0.10 0.00 0.00 174.94 173.95 1gm1 n PRO 49 N 5.89 2.19 -0.96 2.79 -0.02 -1.26 -1.47 135.00 142.17 1gm1 n PRO 49 Ca 0.12 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1gm1 n PRO 49 Cb 0.46 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 6.02 0.00 -2.51 -0.52 4.76 -1.26 -5.07 118.16 119.58 1gm1 n LYS 50 Ca 0.21 0.42 -0.30 0.00 -2.87 0.00 0.00 58.31 55.77 1gm1 n LYS 50 Cb 0.30 -3.71 -0.02 0.00 -1.84 0.00 0.00 35.03 29.76 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 -2.84 1.82 0.15 0.72 0.00 -0.54 -4.92 107.32 101.71 1gm1 s GLY 51 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 44.72 44.30 1gm1 s GLY 51 CO 0.00 0.07 1.58 0.00 0.00 0.00 0.00 173.10 174.75 1gm1 h ALA 52 N 0.65 -0.39 0.10 3.20 0.00 -1.18 -0.56 119.26 121.08 1gm1 h ALA 52 Ca -0.46 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1gm1 h ALA 52 Cb 1.19 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1gm1 h ALA 52 CO 0.62 -0.84 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 1gm1 h ALA 53 N 0.47 -0.13 -0.51 0.00 0.00 -0.60 -2.62 119.26 115.87 1gm1 h ALA 53 Ca 0.14 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1gm1 h ALA 53 Cb 0.58 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1gm1 h ALA 53 CO -0.55 -0.49 -0.55 1.49 0.00 0.00 0.00 179.25 179.15 1gm1 h GLU 54 N -0.30 -0.31 -0.02 0.00 4.22 -1.69 -2.98 114.58 113.50 1gm1 h GLU 54 Ca -0.01 0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.36 1gm1 h GLU 54 Cb 0.25 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1gm1 h GLU 54 CO 0.02 -0.21 -0.40 1.03 -2.18 0.00 0.00 179.01 177.28 1gm1 h SER 55 N -0.33 0.04 0.53 1.04 0.87 -1.13 -3.29 113.55 111.28 1gm1 h SER 55 Ca 0.10 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1gm1 h SER 55 Cb 0.57 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1gm1 h SER 55 CO -0.66 0.43 -0.26 -0.78 -0.53 0.00 0.00 176.83 175.04 1gm1 h ASP 56 N 0.03 -0.61 0.00 6.23 3.58 -1.30 -3.48 116.42 120.87 1gm1 h ASP 56 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1gm1 h ASP 56 Cb 0.72 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1gm1 h ASP 56 CO 0.05 -0.39 0.00 0.61 -2.88 0.00 0.00 179.24 176.64 1gm1 n GLY 57 N -1.21 0.84 0.12 -0.78 0.00 -1.23 -4.97 105.19 97.96 1gm1 n GLY 57 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 2.29 -0.16 -6.37 1.61 2.47 -1.90 -3.46 114.38 108.85 1gm1 h ARG 58 Ca 0.00 0.01 -0.55 0.00 -1.26 0.00 0.00 59.98 58.19 1gm1 h ARG 58 Cb 0.00 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1gm1 h ARG 58 CO 0.00 0.29 0.51 0.42 0.56 0.00 0.00 179.97 181.75 1gm1 s ILE 59 N -3.03 4.60 0.27 2.04 1.01 -1.26 -5.02 121.20 119.81 1gm1 s ILE 59 Ca -0.12 1.87 0.02 0.00 0.00 0.00 0.00 60.65 62.43 1gm1 s ILE 59 Cb -0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1gm1 s ILE 59 CO 0.44 0.09 0.15 -1.00 0.00 0.00 0.00 174.94 174.61 1gm1 s HIS 60 N 1.47 1.48 0.03 3.97 3.76 -1.26 -4.77 115.29 119.97 1gm1 s HIS 60 Ca 0.53 -1.36 -0.33 0.00 -0.15 0.00 0.00 55.06 53.75 1gm1 s HIS 60 Cb -0.22 -0.77 -0.12 0.00 1.11 0.00 0.00 32.58 32.57 1gm1 s HIS 60 CO 0.25 -0.54 1.78 1.17 -0.85 0.00 0.00 174.74 176.55 1gm1 n LYS 61 N -0.47 2.30 -0.26 1.40 4.81 -1.26 -2.41 118.16 122.27 1gm1 n LYS 61 Ca 0.02 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 1gm1 n LYS 61 Cb 0.65 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 33.03 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 4.07 0.73 3.87 3.14 0.00 -0.09 -4.94 105.19 111.97 1gm1 n GLY 62 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1gm1 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gm1 s ASP 63 N -2.58 5.67 -0.15 1.61 1.01 -1.01 -4.29 116.67 116.93 1gm1 s ASP 63 Ca 0.00 1.31 0.02 0.00 0.71 0.00 0.00 52.55 54.59 1gm1 s ASP 63 Cb 0.00 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.74 1gm1 s ASP 63 CO 0.00 -1.21 -0.21 -0.60 0.21 0.00 0.00 175.17 173.36 1gm1 s ARG 64 N -5.24 2.92 -0.12 8.23 3.52 0.24 -0.15 118.95 128.34 1gm1 s ARG 64 Ca 0.57 -0.81 -0.27 0.00 -0.13 0.00 0.00 55.73 55.09 1gm1 s ARG 64 Cb -0.12 -2.42 -0.02 0.00 -1.56 0.00 0.00 34.95 30.84 1gm1 s ARG 64 CO 0.53 -0.08 0.88 0.08 -0.81 0.00 0.00 175.30 175.90 1gm1 s VAL 65 N 0.99 4.87 -0.22 7.11 1.01 -0.86 -0.35 120.40 132.95 1gm1 s VAL 65 Ca -0.03 1.76 -0.04 0.00 0.00 0.00 0.00 61.98 63.66 1gm1 s VAL 65 Cb -0.15 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 31.92 1gm1 s VAL 65 CO -0.05 0.06 -0.24 0.18 0.00 0.00 0.00 175.10 175.04 1gm1 n LEU 66 N 4.87 2.37 -3.75 3.92 4.77 -0.85 -4.72 117.00 123.61 1gm1 n LEU 66 Ca 0.05 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1gm1 n LEU 66 Cb 0.49 -0.73 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1gm1 n LEU 66 CO 0.49 0.69 0.03 0.00 -1.33 0.00 0.00 177.39 177.28 1gm1 s ALA 67 N -2.43 -0.88 -0.26 -1.18 0.00 0.13 -0.48 121.76 116.66 1gm1 s ALA 67 Ca -0.31 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1gm1 s ALA 67 Cb 0.10 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1gm1 s ALA 67 CO 0.46 -0.18 -0.01 0.08 0.00 0.00 0.00 175.76 176.11 1gm1 s VAL 68 N 0.05 3.26 -1.38 0.00 1.01 -0.06 -1.27 120.40 122.01 1gm1 s VAL 68 Ca -0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1gm1 s VAL 68 Cb -0.03 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1gm1 s VAL 68 CO 0.01 0.18 1.08 -3.20 0.00 0.00 0.00 175.10 173.17 1gm1 n ASN 69 N 4.74 -5.09 0.00 3.32 5.15 0.62 -1.44 115.26 122.56 1gm1 n ASN 69 Ca -0.16 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 1gm1 n ASN 69 Cb 0.48 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 35.04 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 -1.79 3.16 3.53 8.20 0.00 -1.25 -4.95 105.19 112.08 1gm1 n GLY 70 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.67 4.99 0.28 1.61 1.01 -0.52 -5.05 120.40 120.04 1gm1 s VAL 71 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 1gm1 s VAL 71 Cb 0.00 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1gm1 s VAL 71 CO 0.00 -0.38 1.04 -0.94 0.00 0.00 0.00 175.10 174.82 1gm1 s SER 72 N 1.84 7.35 -0.19 3.32 1.04 -1.26 -0.88 113.70 124.91 1gm1 s SER 72 Ca 0.18 2.14 -0.01 0.00 0.48 0.00 0.00 55.95 58.73 1gm1 s SER 72 Cb -0.15 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.43 1gm1 s SER 72 CO 0.15 -0.07 2.21 0.18 0.98 0.00 0.00 173.24 176.68 1gm1 n LEU 73 N 1.15 5.97 -4.67 2.42 4.77 0.37 -4.91 117.00 122.11 1gm1 n LEU 73 Ca -0.01 -3.04 -0.43 0.00 -0.03 0.00 0.00 56.01 52.51 1gm1 n LEU 73 Cb 0.46 -1.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.40 1gm1 n LEU 73 CO 0.52 1.23 1.14 -1.83 -1.33 0.00 0.00 177.39 177.11 1gm1 s GLU 74 N -0.93 4.24 -0.17 3.23 -1.05 -1.26 -3.10 118.70 119.66 1gm1 s GLU 74 Ca 0.25 1.83 0.00 0.00 -0.15 0.00 0.00 54.97 56.90 1gm1 s GLU 74 Cb 0.17 -3.75 0.00 0.00 -0.44 0.00 0.00 34.13 30.11 1gm1 s GLU 74 CO -0.02 -0.68 0.00 0.41 0.95 0.00 0.00 175.26 175.92 1gm1 n GLY 75 N 3.70 0.40 3.77 -3.83 0.00 -1.26 -4.99 105.19 102.98 1gm1 n GLY 75 Ca 0.14 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.65 3.20 0.74 4.61 0.00 -1.18 -5.03 121.76 122.45 1gm1 s ALA 76 Ca 0.00 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 1gm1 s ALA 76 Cb 0.00 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 19.93 1gm1 s ALA 76 CO 0.00 -0.33 1.02 0.95 0.00 0.00 0.00 175.76 177.40 1gm1 s THR 77 N -1.42 2.07 0.10 0.00 -4.23 -1.26 -4.24 115.64 106.66 1gm1 s THR 77 Ca 0.54 -0.59 -0.25 0.00 -1.18 0.00 0.00 61.69 60.20 1gm1 s THR 77 Cb -0.28 -2.48 -0.10 0.00 1.34 0.00 0.00 72.50 70.98 1gm1 s THR 77 CO 0.36 0.00 1.67 -0.74 -0.54 0.00 0.00 174.62 175.37 1gm1 h HIS 78 N -0.60 -0.42 -0.95 3.99 2.76 -1.90 -2.96 115.15 115.07 1gm1 h HIS 78 Ca -0.35 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 57.88 1gm1 h HIS 78 Cb 1.26 0.17 -0.06 0.00 1.55 0.00 0.00 27.41 30.33 1gm1 h HIS 78 CO -0.28 -0.24 0.61 -0.22 -1.30 0.00 0.00 177.93 176.50 1gm1 h LYS 79 N -0.32 1.09 -0.04 5.26 1.63 -1.96 -3.27 116.57 118.96 1gm1 h LYS 79 Ca 0.02 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1gm1 h LYS 79 Cb 0.33 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1gm1 h LYS 79 CO -0.08 0.72 -0.10 1.96 -3.45 0.00 0.00 179.45 178.50 1gm1 h GLN 80 N 1.13 -0.15 -0.93 1.90 7.50 -1.92 0.10 115.11 122.74 1gm1 h GLN 80 Ca 0.40 0.01 0.04 0.00 0.50 0.00 0.00 58.65 59.60 1gm1 h GLN 80 Cb 0.13 0.03 -0.05 0.00 0.05 0.00 0.00 27.48 27.64 1gm1 h GLN 80 CO -0.16 -0.10 0.61 0.00 -1.50 0.00 0.00 178.83 177.68 1gm1 h ALA 81 N 0.86 1.42 0.19 3.87 0.00 -1.62 -0.15 119.26 123.83 1gm1 h ALA 81 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gm1 h ALA 81 Cb 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gm1 h ALA 81 CO -0.13 0.48 -0.09 0.28 0.00 0.00 0.00 179.25 179.79 1gm1 h VAL 82 N 1.15 0.91 -0.78 0.00 2.07 -1.44 -1.62 116.25 116.54 1gm1 h VAL 82 Ca 0.38 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1gm1 h VAL 82 Cb 0.05 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1gm1 h VAL 82 CO -0.12 0.16 0.41 -0.33 0.02 0.00 0.00 177.57 177.71 1gm1 h GLU 83 N -0.64 1.10 -0.57 1.57 5.08 -0.85 -0.40 114.58 119.87 1gm1 h GLU 83 Ca -0.03 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1gm1 h GLU 83 Cb 0.46 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1gm1 h GLU 83 CO 0.04 0.82 -0.03 1.15 -1.00 0.00 0.00 179.01 179.99 1gm1 h THR 84 N 1.10 1.27 -0.46 1.13 2.02 -1.06 0.49 112.91 117.40 1gm1 h THR 84 Ca 0.28 -1.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.19 1gm1 h THR 84 Cb 0.05 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1gm1 h THR 84 CO -0.04 0.42 -0.02 -0.07 0.37 0.00 0.00 175.52 176.18 1gm1 h LEU 85 N 0.92 0.82 -0.35 2.58 3.38 -0.91 -3.30 115.31 118.44 1gm1 h LEU 85 Ca 0.16 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1gm1 h LEU 85 Cb 0.59 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1gm1 h LEU 85 CO 0.04 0.95 -0.16 0.03 0.09 0.00 0.00 178.44 179.39 1gm1 h ARG 86 N 0.68 0.73 -2.55 1.13 3.08 -0.90 -3.27 114.38 113.29 1gm1 h ARG 86 Ca 0.13 -0.31 -0.62 0.00 0.07 0.00 0.00 59.98 59.25 1gm1 h ARG 86 Cb 0.54 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.48 1gm1 h ARG 86 CO 0.03 0.92 2.16 -1.71 -1.07 0.00 0.00 179.97 180.30 1gm1 n ASN 87 N -4.33 7.68 -4.97 7.04 5.15 0.15 -4.89 115.26 121.08 1gm1 n ASN 87 Ca -0.02 -2.92 -0.21 0.00 -0.60 0.00 0.00 54.58 50.83 1gm1 n ASN 87 Cb 0.39 -1.40 -0.00 0.00 -0.53 0.00 0.00 39.78 38.24 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 -0.18 4.38 0.00 -0.44 -4.23 -1.23 -4.91 115.64 109.03 1gm1 s THR 88 Ca 0.61 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1gm1 s THR 88 Cb 0.23 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1gm1 s THR 88 CO -0.10 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 1gm1 n GLY 89 N -1.70 1.31 0.11 3.99 0.00 -1.26 -5.05 105.19 102.59 1gm1 n GLY 89 Ca -0.02 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 1gm1 n GLY 89 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1gm1 h GLN 90 N 0.00 -0.15 -4.93 1.61 4.15 -1.95 -3.42 115.11 110.42 1gm1 h GLN 90 Ca 0.00 0.01 -0.65 0.00 0.77 0.00 0.00 58.65 58.78 1gm1 h GLN 90 Cb 0.00 0.03 -0.20 0.00 0.21 0.00 0.00 27.48 27.52 1gm1 h GLN 90 CO 0.00 0.24 -0.58 0.08 -1.93 0.00 0.00 178.83 176.64 1gm1 s VAL 91 N -4.37 4.69 -0.32 2.39 1.01 -1.26 -1.19 120.40 121.35 1gm1 s VAL 91 Ca -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1gm1 s VAL 91 Cb 0.02 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.23 1gm1 s VAL 91 CO 0.60 0.30 0.05 -0.69 0.00 0.00 0.00 175.10 175.36 1gm1 s VAL 92 N 1.67 3.38 -0.71 2.92 1.01 0.20 -4.95 120.40 123.92 1gm1 s VAL 92 Ca 0.07 -1.24 -0.19 0.00 0.00 0.00 0.00 61.98 60.62 1gm1 s VAL 92 Cb -0.15 -2.91 0.12 0.00 0.00 0.00 0.00 36.38 33.43 1gm1 s VAL 92 CO 0.06 -0.12 0.86 -2.28 0.00 0.00 0.00 175.10 173.62 1gm1 s HIS 93 N 1.33 3.04 0.39 5.22 2.46 -1.26 -0.98 115.29 125.49 1gm1 s HIS 93 Ca -0.03 -1.09 -0.06 0.00 0.47 0.00 0.00 55.06 54.35 1gm1 s HIS 93 Cb -0.19 -4.11 -0.05 0.00 -0.13 0.00 0.00 32.58 28.09 1gm1 s HIS 93 CO 0.01 -1.38 0.69 -0.51 -2.47 0.00 0.00 174.74 171.08 1gm1 s LEU 94 N 2.69 3.86 -0.08 8.88 1.43 0.13 -0.28 118.68 135.32 1gm1 s LEU 94 Ca 0.19 0.88 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1gm1 s LEU 94 Cb -0.17 -3.76 0.01 0.00 0.03 0.00 0.00 46.19 42.30 1gm1 s LEU 94 CO 0.02 -0.38 -0.14 -0.22 0.23 0.00 0.00 176.35 175.86 1gm1 s LEU 95 N -4.05 1.71 0.21 1.79 2.96 -0.40 -1.23 118.68 119.67 1gm1 s LEU 95 Ca 0.47 -0.35 -0.12 0.00 -0.22 0.00 0.00 54.13 53.90 1gm1 s LEU 95 Cb -0.10 -0.94 -0.00 0.00 0.50 0.00 0.00 46.19 45.64 1gm1 s LEU 95 CO 0.35 0.05 0.41 -1.48 -1.32 0.00 0.00 176.35 174.36 1gm1 s LEU 96 N 0.66 0.50 -0.21 -0.68 0.05 -0.63 -0.69 118.68 117.68 1gm1 s LEU 96 Ca -0.14 -0.83 -0.05 0.00 0.05 0.00 0.00 54.13 53.16 1gm1 s LEU 96 Cb -0.16 1.62 -0.02 0.00 -2.05 0.00 0.00 46.19 45.57 1gm1 s LEU 96 CO 0.04 -1.03 0.00 -0.70 -0.55 0.00 0.00 176.35 174.11 1gm1 s GLU 97 N -3.98 3.57 0.23 1.48 2.12 0.53 -1.22 118.70 121.44 1gm1 s GLU 97 Ca 0.18 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1gm1 s GLU 97 Cb 0.01 -3.10 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 1gm1 s GLU 97 CO 0.04 -0.05 0.99 0.21 -0.54 0.00 0.00 175.26 175.90 1gm1 s LYS 98 N 1.17 4.77 -0.72 4.30 2.47 0.11 -0.60 119.74 131.25 1gm1 s LYS 98 Ca 0.03 1.57 -0.19 0.00 -1.56 0.00 0.00 55.97 55.82 1gm1 s LYS 98 Cb -0.14 -3.27 0.12 0.00 -1.46 0.00 0.00 37.83 33.08 1gm1 s LYS 98 CO 0.01 0.38 0.85 0.20 0.16 0.00 0.00 175.35 176.96 1gm1 s GLY 99 N -0.89 1.90 0.37 5.54 0.00 -1.26 -4.66 107.32 108.31 1gm1 s GLY 99 Ca 0.43 -2.48 0.09 0.00 0.00 0.00 0.00 44.72 42.76 1gm1 s GLY 99 CO 0.34 1.70 1.86 0.06 0.00 0.00 0.00 173.10 177.06 1gm1 h GLN 100 N 8.94 0.20 -6.15 2.90 3.07 -1.95 -3.42 115.11 118.69 1gm1 h GLN 100 Ca -0.12 -0.06 -0.58 0.00 0.09 0.00 0.00 58.65 57.98 1gm1 h GLN 100 Cb 1.06 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 28.54 1gm1 h GLN 100 CO 1.06 0.42 -0.55 0.14 0.09 0.00 0.00 178.83 180.00 1gm1 s VAL 101 N -4.54 4.69 -2.00 1.86 -7.23 -1.26 -4.97 120.40 106.95 1gm1 s VAL 101 Ca -0.05 -0.94 0.25 0.00 -1.81 0.00 0.00 61.98 59.43 1gm1 s VAL 101 Cb 0.15 -3.38 0.71 0.00 0.56 0.00 0.00 36.38 34.42 1gm1 s VAL 101 CO 0.74 -0.07 1.86 -0.81 -0.31 0.00 0.00 175.10 176.51