#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm1 n PRO 10 N 0.00 -2.38 -1.05 1.97 -0.04 -1.26 -4.59 135.00 127.65 1gm1 n PRO 10 Ca 0.00 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.55 1gm1 n PRO 10 Cb 0.00 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1gm1 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gm1 n GLY 11 N -4.42 1.12 3.72 0.55 0.00 -0.94 -4.98 105.19 100.25 1gm1 n GLY 11 Ca 0.16 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.47 6.50 0.07 1.61 -1.08 -1.26 -4.74 116.67 115.30 1gm1 s ASP 12 Ca 0.00 0.59 -0.10 0.00 -0.52 0.00 0.00 52.55 52.52 1gm1 s ASP 12 Cb 0.00 -2.22 -0.06 0.00 -1.46 0.00 0.00 42.92 39.19 1gm1 s ASP 12 CO 0.00 0.05 0.39 0.42 0.52 0.00 0.00 175.17 176.55 1gm1 s THR 13 N 0.61 5.10 -0.09 1.71 -4.23 -1.26 -0.70 115.64 116.77 1gm1 s THR 13 Ca 0.19 0.48 -0.09 0.00 -1.18 0.00 0.00 61.69 61.09 1gm1 s THR 13 Cb -0.14 -3.65 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1gm1 s THR 13 CO 0.06 0.32 0.26 0.72 -0.54 0.00 0.00 174.62 175.45 1gm1 s PHE 14 N -1.36 -0.28 -0.22 3.99 -0.12 -0.61 -5.00 117.98 114.39 1gm1 s PHE 14 Ca 0.32 0.67 -0.11 0.00 -0.05 0.00 0.00 56.93 57.76 1gm1 s PHE 14 Cb -0.14 0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.29 1gm1 s PHE 14 CO 0.17 -0.15 0.17 -1.21 -0.05 0.00 0.00 175.22 174.16 1gm1 s GLU 15 N 0.07 4.13 -0.51 1.99 8.01 -1.26 -2.28 118.70 128.85 1gm1 s GLU 15 Ca -0.01 -0.20 0.01 0.00 0.01 0.00 0.00 54.97 54.78 1gm1 s GLU 15 Cb -0.02 -3.49 0.13 0.00 -4.31 0.00 0.00 34.13 26.44 1gm1 s GLU 15 CO 0.00 0.15 0.28 0.08 0.01 0.00 0.00 175.26 175.78 1gm1 s VAL 16 N 0.80 3.02 -0.57 2.63 1.01 0.63 -4.98 120.40 122.93 1gm1 s VAL 16 Ca 0.09 -2.85 -0.22 0.00 0.00 0.00 0.00 61.98 59.00 1gm1 s VAL 16 Cb -0.13 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.25 1gm1 s VAL 16 CO 0.02 -0.78 0.84 -1.61 0.00 0.00 0.00 175.10 173.58 1gm1 s GLU 17 N 0.19 3.20 0.04 2.72 2.02 -1.26 -0.51 118.70 125.10 1gm1 s GLU 17 Ca 0.15 -0.66 0.09 0.00 0.02 0.00 0.00 54.97 54.56 1gm1 s GLU 17 Cb -0.22 -4.13 -0.03 0.00 0.10 0.00 0.00 34.13 29.85 1gm1 s GLU 17 CO -0.03 -1.50 -0.24 -1.17 0.02 0.00 0.00 175.26 172.34 1gm1 s LEU 18 N 3.51 2.17 -0.27 1.80 2.96 0.71 -4.94 118.68 124.62 1gm1 s LEU 18 Ca 0.23 -0.57 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 1gm1 s LEU 18 Cb -0.16 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 1gm1 s LEU 18 CO 0.14 0.23 0.16 0.00 -1.32 0.00 0.00 176.35 175.56 1gm1 s ALA 19 N -0.80 3.45 0.09 5.97 0.00 -1.26 0.21 121.76 129.42 1gm1 s ALA 19 Ca 0.10 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.66 1gm1 s ALA 19 Cb -0.10 -2.38 -0.07 0.00 0.00 0.00 0.00 23.12 20.57 1gm1 s ALA 19 CO 0.02 -0.52 1.39 0.21 0.00 0.00 0.00 175.76 176.86 1gm1 s LYS 20 N 1.69 4.31 -0.53 0.00 2.20 -0.01 -4.82 119.74 122.59 1gm1 s LYS 20 Ca 0.07 2.05 -0.20 0.00 -0.36 0.00 0.00 55.97 57.53 1gm1 s LYS 20 Cb -0.16 -3.32 0.06 0.00 -1.51 0.00 0.00 37.83 32.90 1gm1 s LYS 20 CO 0.09 -0.46 0.70 -0.08 -0.36 0.00 0.00 175.35 175.24 1gm1 s THR 21 N 1.37 4.76 -0.79 3.43 -1.32 -0.90 -4.48 115.64 117.72 1gm1 s THR 21 Ca 0.65 -0.41 -0.23 0.00 -1.21 0.00 0.00 61.69 60.49 1gm1 s THR 21 Cb -0.36 -4.37 0.03 0.00 -1.51 0.00 0.00 72.50 66.29 1gm1 s THR 21 CO 0.30 -0.92 0.44 -0.67 -2.21 0.00 0.00 174.62 171.56 1gm1 n ASP 22 N 6.47 -2.68 0.00 8.08 2.03 -1.26 -1.31 116.55 127.88 1gm1 n ASP 22 Ca -0.05 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.40 1gm1 n ASP 22 Cb 0.45 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 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 -1.69 1.59 3.40 0.27 0.00 -1.26 -5.03 105.19 102.47 1gm1 n GLY 23 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.98 4.38 -0.13 1.61 0.15 -0.42 -5.02 113.70 111.28 1gm1 s SER 24 Ca 0.00 -0.27 -0.09 0.00 0.70 0.00 0.00 55.95 56.28 1gm1 s SER 24 Cb 0.00 -1.71 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 1gm1 s SER 24 CO 0.00 0.11 -0.18 -0.11 1.20 0.00 0.00 173.24 174.26 1gm1 n LEU 25 N 3.89 1.56 0.00 3.45 7.94 -1.26 -2.13 117.00 130.46 1gm1 n LEU 25 Ca -0.18 0.52 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 1gm1 n LEU 25 Cb 0.52 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.68 1gm1 n LEU 25 CO 0.31 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.76 1gm1 n GLY 26 N 1.60 0.59 3.72 -3.96 0.00 -1.26 -0.01 105.19 105.87 1gm1 n GLY 26 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.01 4.49 -0.19 -0.61 -4.36 -1.26 -0.64 121.20 118.62 1gm1 s ILE 27 Ca 0.00 -0.24 -0.02 0.00 -0.26 0.00 0.00 60.65 60.12 1gm1 s ILE 27 Cb 0.00 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.78 1gm1 s ILE 27 CO 0.00 0.56 -0.08 -0.44 0.24 0.00 0.00 174.94 175.22 1gm1 s SER 28 N -1.06 4.12 0.42 4.36 0.01 -0.31 -4.93 113.70 116.31 1gm1 s SER 28 Ca 0.15 -0.39 0.08 0.00 1.31 0.00 0.00 55.95 57.09 1gm1 s SER 28 Cb -0.11 -1.68 -0.00 0.00 0.21 0.00 0.00 66.02 64.43 1gm1 s SER 28 CO 0.04 0.03 0.49 0.68 0.41 0.00 0.00 173.24 174.90 1gm1 s VAL 29 N 1.15 2.86 0.28 3.43 -7.23 -1.26 -0.58 120.40 119.05 1gm1 s VAL 29 Ca 0.01 -1.14 -0.12 0.00 -1.81 0.00 0.00 61.98 58.93 1gm1 s VAL 29 Cb -0.14 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.80 1gm1 s VAL 29 CO -0.02 0.00 0.53 0.28 -0.31 0.00 0.00 175.10 175.57 1gm1 s THR 30 N -2.40 0.00 0.00 5.32 -1.32 0.47 -4.66 115.64 113.05 1gm1 s THR 30 Ca 0.52 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 1gm1 s THR 30 Cb -0.07 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.58 1gm1 s THR 30 CO 0.31 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.33 1gm1 n GLY 31 N -0.43 0.59 0.00 6.08 0.00 -1.26 -0.93 105.19 109.23 1gm1 n GLY 31 Ca -0.02 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 1.34 0.26 -0.02 0.00 -0.22 -4.31 105.19 102.24 1gm1 n GLY 32 Ca 0.00 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.40 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 1.09 0.00 1.61 3.04 -1.77 -2.25 116.25 117.96 1gm1 h VAL 33 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1gm1 h VAL 33 Cb 0.00 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 1gm1 h VAL 33 CO 0.00 0.11 0.00 -0.55 -1.01 0.00 0.00 177.57 176.12 1gm1 h ASN 34 N 0.19 0.00 -3.51 3.17 -1.07 -1.87 -3.44 115.58 109.05 1gm1 h ASN 34 Ca 0.05 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.90 1gm1 h ASN 34 Cb 0.13 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.36 1gm1 h ASN 34 CO 0.00 0.00 -0.02 -0.89 0.07 0.00 0.00 177.43 176.59 1gm1 s THR 35 N -3.15 4.87 -0.14 6.14 2.01 -0.85 -4.96 115.64 119.56 1gm1 s THR 35 Ca 0.09 0.50 -0.06 0.00 0.31 0.00 0.00 61.69 62.54 1gm1 s THR 35 Cb 0.10 -3.67 -0.19 0.00 0.01 0.00 0.00 72.50 68.74 1gm1 s THR 35 CO 0.62 -0.28 3.42 -0.24 -0.69 0.00 0.00 174.62 177.45 1gm1 n SER 36 N -0.69 5.59 -3.05 3.53 2.88 -1.26 -4.66 113.62 115.96 1gm1 n SER 36 Ca 0.01 -2.65 -0.40 0.00 -1.33 0.00 0.00 58.87 54.50 1gm1 n SER 36 Cb 0.53 -1.38 0.04 0.00 -0.75 0.00 0.00 64.21 62.65 1gm1 n SER 36 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1gm1 n VAL 37 N 2.14 4.06 0.00 2.46 0.24 -1.26 -4.89 118.33 121.07 1gm1 n VAL 37 Ca 0.45 -4.63 0.00 0.00 -2.04 0.00 0.00 64.34 58.12 1gm1 n VAL 37 Cb 0.82 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 1gm1 n VAL 37 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1gm1 n ARG 38 N -0.45 0.00 0.16 7.34 0.00 -1.26 -3.39 116.66 119.06 1gm1 n ARG 38 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.37 1gm1 n ARG 38 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 32.46 32.59 1gm1 n ARG 38 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1gm1 n HIS 39 N 0.00 -2.93 0.00 -0.14 -0.00 -1.26 -5.16 115.22 105.73 1gm1 n HIS 39 Ca 0.00 0.69 0.00 0.00 0.46 0.00 0.00 57.72 58.87 1gm1 n HIS 39 Cb 0.00 1.35 0.00 0.00 -0.12 0.00 0.00 29.99 31.22 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1gm1 n GLY 40 N 0.81 -0.83 0.00 1.57 0.00 -1.22 -4.59 105.19 100.93 1gm1 n GLY 40 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1gm1 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 41 N 0.00 -1.41 3.58 -0.02 0.00 -1.26 -4.45 105.19 101.62 1gm1 n GLY 41 Ca 0.00 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 1gm1 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gm1 s ILE 42 N -1.36 5.05 0.12 -0.61 -1.09 -1.26 -1.06 121.20 120.99 1gm1 s ILE 42 Ca 0.00 0.08 0.07 0.00 -2.23 0.00 0.00 60.65 58.57 1gm1 s ILE 42 Cb 0.00 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 1gm1 s ILE 42 CO 0.00 0.31 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.54 1gm1 s TYR 43 N 1.44 1.58 -0.05 3.97 1.51 -0.11 -1.38 117.35 124.31 1gm1 s TYR 43 Ca 0.07 -0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 1gm1 s TYR 43 Cb -0.15 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 1gm1 s TYR 43 CO 0.07 0.19 1.18 0.08 -1.11 0.00 0.00 175.55 175.96 1gm1 s VAL 44 N -1.69 4.29 -0.25 0.71 1.01 -0.17 -0.39 120.40 123.92 1gm1 s VAL 44 Ca 0.08 1.62 -0.00 0.00 0.00 0.00 0.00 61.98 63.68 1gm1 s VAL 44 Cb -0.07 -4.04 -0.18 0.00 0.00 0.00 0.00 36.38 32.09 1gm1 s VAL 44 CO 0.04 0.01 -0.17 1.17 0.00 0.00 0.00 175.10 176.15 1gm1 n LYS 45 N 5.03 0.66 -3.76 2.72 4.81 0.25 -0.18 118.16 127.68 1gm1 n LYS 45 Ca 0.10 0.17 -0.11 0.00 -0.87 0.00 0.00 58.31 57.60 1gm1 n LYS 45 Cb 0.47 -1.54 -0.07 0.00 0.02 0.00 0.00 35.03 33.90 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 -2.52 -0.64 -0.16 3.14 0.00 -0.96 -4.76 121.76 115.85 1gm1 s ALA 46 Ca -0.34 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 1gm1 s ALA 46 Cb 0.09 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 1gm1 s ALA 46 CO 0.61 -0.42 -0.14 -1.50 0.00 0.00 0.00 175.76 174.31 1gm1 s ILE 47 N -2.67 2.73 -0.12 0.00 1.10 -1.26 -1.16 121.20 119.82 1gm1 s ILE 47 Ca -0.04 -0.74 -0.30 0.00 -0.51 0.00 0.00 60.65 59.06 1gm1 s ILE 47 Cb -0.00 -2.16 -0.02 0.00 0.15 0.00 0.00 42.46 40.42 1gm1 s ILE 47 CO -0.04 0.51 1.18 -0.63 -2.11 0.00 0.00 174.94 173.85 1gm1 s ILE 48 N 0.88 4.36 -0.18 2.00 1.09 0.19 -4.96 121.20 124.58 1gm1 s ILE 48 Ca -0.04 1.66 -0.30 0.00 -1.10 0.00 0.00 60.65 60.88 1gm1 s ILE 48 Cb -0.15 -4.07 -0.07 0.00 -1.06 0.00 0.00 42.46 37.10 1gm1 s ILE 48 CO -0.01 -0.06 2.14 -2.65 -0.10 0.00 0.00 174.94 174.26 1gm1 n PRO 49 N 5.77 2.03 -2.14 2.79 -0.02 -1.26 -1.66 135.00 140.51 1gm1 n PRO 49 Ca 0.12 0.62 -0.01 0.00 -2.02 0.00 0.00 63.50 62.21 1gm1 n PRO 49 Cb 0.46 -3.04 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 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 8.26 -0.15 -2.37 -0.52 5.02 -1.26 -5.08 118.16 122.05 1gm1 n LYS 50 Ca 0.29 0.05 -0.29 0.00 -2.02 0.00 0.00 58.31 56.34 1gm1 n LYS 50 Cb 0.40 -3.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.02 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1gm1 s GLY 51 N -2.97 1.55 0.11 0.72 0.00 -0.66 -4.95 107.32 101.12 1gm1 s GLY 51 Ca 0.01 -0.36 -0.33 0.00 0.00 0.00 0.00 44.72 44.03 1gm1 s GLY 51 CO 0.01 -0.16 1.53 0.00 0.00 0.00 0.00 173.10 174.48 1gm1 h ALA 52 N 0.04 -0.92 -0.67 3.20 0.00 -1.32 -1.56 119.26 118.02 1gm1 h ALA 52 Ca -0.46 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1gm1 h ALA 52 Cb 1.20 0.96 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 1gm1 h ALA 52 CO 0.62 -1.09 0.28 0.00 0.00 0.00 0.00 179.25 179.06 1gm1 h ALA 53 N -0.43 0.87 0.07 0.00 0.00 -0.75 -2.63 119.26 116.40 1gm1 h ALA 53 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1gm1 h ALA 53 Cb 0.68 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1gm1 h ALA 53 CO -0.37 0.48 -0.25 1.49 0.00 0.00 0.00 179.25 180.60 1gm1 h GLU 54 N 0.95 -0.35 0.00 0.00 4.22 -1.72 -3.20 114.58 114.47 1gm1 h GLU 54 Ca 0.22 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.66 1gm1 h GLU 54 Cb 0.19 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1gm1 h GLU 54 CO -0.02 -0.23 -0.15 1.03 -2.18 0.00 0.00 179.01 177.46 1gm1 h SER 55 N -0.37 0.00 0.10 1.04 0.87 -1.30 -3.18 113.55 110.72 1gm1 h SER 55 Ca -0.01 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1gm1 h SER 55 Cb 0.36 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1gm1 h SER 55 CO -0.12 0.15 -0.32 -0.78 -0.53 0.00 0.00 176.83 175.22 1gm1 h ASP 56 N 0.00 -0.96 0.00 6.23 1.82 -1.46 -3.48 116.42 118.57 1gm1 h ASP 56 Ca -0.00 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1gm1 h ASP 56 Cb 0.57 0.35 0.00 0.00 0.68 0.00 0.00 39.33 40.93 1gm1 h ASP 56 CO 0.02 -0.35 0.00 0.61 -1.61 0.00 0.00 179.24 177.91 1gm1 n GLY 57 N -1.30 1.35 0.28 -0.78 0.00 -1.20 -4.95 105.19 98.59 1gm1 n GLY 57 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 1.64 -0.63 -6.39 1.61 3.08 -1.89 -3.43 114.38 108.37 1gm1 h ARG 58 Ca 0.00 0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.55 1gm1 h ARG 58 Cb 0.00 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1gm1 h ARG 58 CO 0.00 -0.33 0.47 0.42 -1.07 0.00 0.00 179.97 179.46 1gm1 s ILE 59 N -5.17 4.65 0.24 2.04 1.01 -1.26 -5.01 121.20 117.69 1gm1 s ILE 59 Ca -0.15 1.91 -0.06 0.00 0.00 0.00 0.00 60.65 62.35 1gm1 s ILE 59 Cb 0.03 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 1gm1 s ILE 59 CO 0.55 0.11 0.31 -2.28 0.00 0.00 0.00 174.94 173.63 1gm1 s HIS 60 N 1.31 0.84 0.34 3.97 2.46 -1.26 -4.75 115.29 118.19 1gm1 s HIS 60 Ca 0.53 -1.11 -0.29 0.00 0.47 0.00 0.00 55.06 54.67 1gm1 s HIS 60 Cb -0.22 -0.21 -0.11 0.00 -0.13 0.00 0.00 32.58 31.91 1gm1 s HIS 60 CO 0.26 -0.84 1.38 -1.59 -2.47 0.00 0.00 174.74 171.48 1gm1 s LYS 61 N -3.97 4.26 0.00 2.88 0.00 -1.26 -2.42 119.74 119.22 1gm1 s LYS 61 Ca 0.31 2.35 0.00 0.00 0.00 0.00 0.00 55.97 58.64 1gm1 s LYS 61 Cb 0.03 -3.04 0.00 0.00 0.00 0.00 0.00 37.83 34.82 1gm1 s LYS 61 CO 0.12 -0.33 0.00 0.41 0.00 0.00 0.00 175.35 175.55 1gm1 n GLY 62 N 0.77 0.63 3.75 0.59 0.00 0.75 -4.89 105.19 106.78 1gm1 n GLY 62 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.55 7.57 -0.15 1.61 1.01 -1.02 -3.85 116.67 119.29 1gm1 s ASP 63 Ca 0.00 1.86 -0.11 0.00 0.71 0.00 0.00 52.55 55.01 1gm1 s ASP 63 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1gm1 s ASP 63 CO 0.00 0.11 0.21 -0.60 0.21 0.00 0.00 175.17 175.10 1gm1 s ARG 64 N -0.88 4.00 0.35 8.23 3.52 -0.51 -1.00 118.95 132.66 1gm1 s ARG 64 Ca 0.41 -0.04 -0.19 0.00 -0.13 0.00 0.00 55.73 55.78 1gm1 s ARG 64 Cb -0.25 -3.35 -0.10 0.00 -1.56 0.00 0.00 34.95 29.70 1gm1 s ARG 64 CO 0.30 0.44 0.84 0.54 -0.81 0.00 0.00 175.30 176.61 1gm1 s VAL 65 N -0.08 4.50 -0.13 7.11 0.11 -0.48 -0.76 120.40 130.66 1gm1 s VAL 65 Ca 0.14 1.30 -0.08 0.00 -2.93 0.00 0.00 61.98 60.41 1gm1 s VAL 65 Cb -0.12 -3.68 -0.06 0.00 -1.53 0.00 0.00 36.38 30.99 1gm1 s VAL 65 CO 0.03 -0.16 -0.19 0.18 -3.33 0.00 0.00 175.10 171.63 1gm1 n LEU 66 N -0.24 1.11 -3.75 2.54 4.32 -0.43 -4.77 117.00 115.78 1gm1 n LEU 66 Ca 0.04 0.19 -0.13 0.00 -0.02 0.00 0.00 56.01 56.09 1gm1 n LEU 66 Cb 0.53 -0.45 -0.10 0.00 -1.62 0.00 0.00 43.42 41.78 1gm1 n LEU 66 CO 0.40 0.20 0.04 0.00 -1.22 0.00 0.00 177.39 176.81 1gm1 s ALA 67 N -2.30 -0.88 -0.12 -1.18 0.00 -0.69 -1.35 121.76 115.24 1gm1 s ALA 67 Ca -0.20 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.57 1gm1 s ALA 67 Cb 0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 1gm1 s ALA 67 CO 0.26 -0.21 -0.19 0.08 0.00 0.00 0.00 175.76 175.70 1gm1 s VAL 68 N -0.38 2.46 0.00 0.00 1.01 -0.55 -0.95 120.40 121.99 1gm1 s VAL 68 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1gm1 s VAL 68 Cb -0.03 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1gm1 s VAL 68 CO 0.02 0.54 0.00 -3.20 0.00 0.00 0.00 175.10 172.46 1gm1 n ASN 69 N 3.62 0.00 0.00 3.32 2.85 0.14 -0.95 115.26 124.25 1gm1 n ASN 69 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 1gm1 n ASN 69 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 1gm1 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gm1 n GLY 70 N 0.00 0.55 3.59 8.20 0.00 -1.26 -4.61 105.19 111.66 1gm1 n GLY 70 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.93 0.04 1.61 1.01 -0.12 -5.03 120.40 122.84 1gm1 s VAL 71 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 61.98 62.42 1gm1 s VAL 71 Cb 0.00 -4.01 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1gm1 s VAL 71 CO 0.00 -0.19 1.35 -0.44 0.00 0.00 0.00 175.10 175.82 1gm1 s SER 72 N 1.69 6.90 -0.50 3.32 0.01 -1.26 -1.49 113.70 122.37 1gm1 s SER 72 Ca 0.24 2.14 -0.02 0.00 1.31 0.00 0.00 55.95 59.62 1gm1 s SER 72 Cb -0.15 -2.57 0.27 0.00 0.21 0.00 0.00 66.02 63.78 1gm1 s SER 72 CO 0.13 -0.65 2.18 0.18 0.41 0.00 0.00 173.24 175.49 1gm1 n LEU 73 N 4.69 6.95 -4.66 2.44 4.77 -0.46 -4.95 117.00 125.78 1gm1 n LEU 73 Ca 0.12 -3.90 -0.43 0.00 -0.03 0.00 0.00 56.01 51.77 1gm1 n LEU 73 Cb 0.44 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 1gm1 n LEU 73 CO 0.58 1.45 1.07 -1.83 -1.33 0.00 0.00 177.39 177.33 1gm1 s GLU 74 N -2.62 4.23 0.00 3.23 1.03 -1.26 -2.83 118.70 120.48 1gm1 s GLU 74 Ca 0.49 1.62 0.00 0.00 0.03 0.00 0.00 54.97 57.11 1gm1 s GLU 74 Cb 0.37 -3.75 0.00 0.00 -0.80 0.00 0.00 34.13 29.95 1gm1 s GLU 74 CO -0.09 -0.71 0.00 0.41 -1.33 0.00 0.00 175.26 173.54 1gm1 n GLY 75 N 3.59 0.47 3.78 -3.83 0.00 -1.26 -5.02 105.19 102.92 1gm1 n GLY 75 Ca 0.14 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 2.68 0.82 4.61 0.00 -1.13 -4.83 121.76 121.91 1gm1 s ALA 76 Ca 0.00 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 1gm1 s ALA 76 Cb 0.00 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 19.91 1gm1 s ALA 76 CO 0.00 -0.80 1.17 0.95 0.00 0.00 0.00 175.76 177.08 1gm1 s THR 77 N -1.98 2.08 0.08 0.00 -4.23 -1.26 -2.85 115.64 107.47 1gm1 s THR 77 Ca 0.70 -0.10 -0.23 0.00 -1.18 0.00 0.00 61.69 60.87 1gm1 s THR 77 Cb -0.21 -2.97 -0.16 0.00 1.34 0.00 0.00 72.50 70.50 1gm1 s THR 77 CO 0.30 0.00 1.69 -0.74 -0.54 0.00 0.00 174.62 175.32 1gm1 h HIS 78 N -1.08 -0.00 -0.83 3.99 2.76 -1.85 -2.94 115.15 115.19 1gm1 h HIS 78 Ca -0.45 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 57.78 1gm1 h HIS 78 Cb 1.29 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.20 1gm1 h HIS 78 CO -0.14 0.05 0.51 0.87 -1.30 0.00 0.00 177.93 177.93 1gm1 h LYS 79 N -0.05 0.92 -0.33 5.26 6.56 -1.95 -3.20 116.57 123.78 1gm1 h LYS 79 Ca -0.00 -0.06 0.05 0.00 -1.06 0.00 0.00 60.65 59.59 1gm1 h LYS 79 Cb 0.05 -0.21 -0.05 0.00 -0.57 0.00 0.00 32.23 31.46 1gm1 h LYS 79 CO 0.00 0.61 0.03 1.96 -2.06 0.00 0.00 179.45 179.98 1gm1 h GLN 80 N 0.95 0.12 -0.77 3.15 1.08 -1.89 0.12 115.11 117.87 1gm1 h GLN 80 Ca 0.36 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.52 1gm1 h GLN 80 Cb 0.15 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 1gm1 h GLN 80 CO -0.17 0.08 0.36 0.00 -0.95 0.00 0.00 178.83 178.16 1gm1 h ALA 81 N 1.27 0.99 -0.01 3.87 0.00 -1.59 -0.36 119.26 123.44 1gm1 h ALA 81 Ca 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gm1 h ALA 81 Cb 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1gm1 h ALA 81 CO -0.24 0.57 0.00 0.28 0.00 0.00 0.00 179.25 179.86 1gm1 h VAL 82 N 1.09 1.24 -0.17 0.00 2.07 -1.41 -0.35 116.25 118.72 1gm1 h VAL 82 Ca 0.26 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1gm1 h VAL 82 Cb 0.13 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1gm1 h VAL 82 CO -0.03 0.19 -0.12 -0.33 0.02 0.00 0.00 177.57 177.30 1gm1 h GLU 83 N -0.29 0.26 -0.18 1.57 5.08 -0.69 0.11 114.58 120.44 1gm1 h GLU 83 Ca 0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1gm1 h GLU 83 Cb 0.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1gm1 h GLU 83 CO 0.00 0.39 -0.05 1.15 -1.00 0.00 0.00 179.01 179.50 1gm1 h THR 84 N 0.25 1.29 -0.67 1.13 2.02 -0.98 -2.33 112.91 113.62 1gm1 h THR 84 Ca 0.05 -1.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 1gm1 h THR 84 Cb 0.37 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1gm1 h THR 84 CO 0.02 0.31 0.19 -0.07 0.37 0.00 0.00 175.52 176.34 1gm1 h LEU 85 N 0.07 0.98 -0.56 2.58 3.38 -0.63 -3.04 115.31 118.10 1gm1 h LEU 85 Ca 0.05 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1gm1 h LEU 85 Cb 0.51 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1gm1 h LEU 85 CO 0.02 0.93 0.29 -0.09 0.09 0.00 0.00 178.44 179.68 1gm1 h ARG 86 N 1.00 0.54 -1.85 1.13 1.12 -0.77 -2.95 114.38 112.60 1gm1 h ARG 86 Ca 0.22 -0.03 -0.26 0.00 -1.11 0.00 0.00 59.98 58.80 1gm1 h ARG 86 Cb 0.32 -0.12 -0.10 0.00 -0.01 0.00 0.00 29.97 30.05 1gm1 h ARG 86 CO -0.00 0.36 0.13 -1.71 -3.11 0.00 0.00 179.97 175.64 1gm1 n ASN 87 N -4.85 5.93 -4.80 -3.80 5.15 -0.88 -4.84 115.26 107.17 1gm1 n ASN 87 Ca 0.06 -2.81 -0.22 0.00 -0.60 0.00 0.00 54.58 51.00 1gm1 n ASN 87 Cb 0.14 -1.20 -0.05 0.00 -0.53 0.00 0.00 39.78 38.15 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 -1.00 4.27 0.00 -0.44 -4.23 -1.12 -4.99 115.64 108.13 1gm1 s THR 88 Ca 0.38 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1gm1 s THR 88 Cb 0.24 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1gm1 s THR 88 CO -0.05 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1gm1 n GLY 89 N -1.15 2.02 0.03 3.99 0.00 -1.26 -5.08 105.19 103.74 1gm1 n GLY 89 Ca -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.07 -5.52 1.61 4.20 -1.95 -3.42 115.11 109.96 1gm1 h GLN 90 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.12 1gm1 h GLN 90 Cb 0.00 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 27.69 1gm1 h GLN 90 CO 0.00 -0.04 -0.08 0.08 -0.67 0.00 0.00 178.83 178.12 1gm1 s VAL 91 N -2.20 5.13 -0.15 -0.54 1.01 -1.26 -0.83 120.40 121.56 1gm1 s VAL 91 Ca -0.01 0.90 0.01 0.00 0.00 0.00 0.00 61.98 62.88 1gm1 s VAL 91 Cb 0.00 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1gm1 s VAL 91 CO 0.03 0.20 -0.15 -0.69 0.00 0.00 0.00 175.10 174.49 1gm1 s VAL 92 N 1.52 1.61 -0.37 2.92 1.01 0.13 -4.97 120.40 122.26 1gm1 s VAL 92 Ca 0.23 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1gm1 s VAL 92 Cb -0.15 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1gm1 s VAL 92 CO 0.09 0.47 0.26 -2.28 0.00 0.00 0.00 175.10 173.64 1gm1 s HIS 93 N 1.39 3.23 0.09 5.22 2.46 -1.26 -0.21 115.29 126.22 1gm1 s HIS 93 Ca 0.03 -0.42 -0.03 0.00 0.47 0.00 0.00 55.06 55.12 1gm1 s HIS 93 Cb -0.13 -2.51 -0.05 0.00 -0.13 0.00 0.00 32.58 29.76 1gm1 s HIS 93 CO -0.09 -0.47 0.30 -0.51 -2.47 0.00 0.00 174.74 171.49 1gm1 s LEU 94 N 1.69 4.32 -0.15 8.88 1.43 0.33 0.27 118.68 135.44 1gm1 s LEU 94 Ca 0.05 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1gm1 s LEU 94 Cb -0.18 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1gm1 s LEU 94 CO 0.10 0.12 -0.18 -0.22 0.23 0.00 0.00 176.35 176.40 1gm1 s LEU 95 N -2.49 2.32 0.22 1.79 0.20 -0.13 -0.27 118.68 120.33 1gm1 s LEU 95 Ca 0.37 -0.53 -0.11 0.00 0.69 0.00 0.00 54.13 54.54 1gm1 s LEU 95 Cb -0.13 -1.52 -0.01 0.00 -0.43 0.00 0.00 46.19 44.11 1gm1 s LEU 95 CO 0.25 0.07 0.41 -1.48 -0.29 0.00 0.00 176.35 175.31 1gm1 s LEU 96 N 0.88 0.50 0.05 -0.68 -0.00 -0.96 -1.32 118.68 117.15 1gm1 s LEU 96 Ca -0.05 -0.91 0.09 0.00 -0.00 0.00 0.00 54.13 53.26 1gm1 s LEU 96 Cb -0.15 1.56 -0.03 0.00 -0.00 0.00 0.00 46.19 47.57 1gm1 s LEU 96 CO -0.02 -1.05 -0.25 -0.70 -0.00 0.00 0.00 176.35 174.33 1gm1 s GLU 97 N -4.01 1.81 0.01 1.48 2.12 0.06 -1.57 118.70 118.60 1gm1 s GLU 97 Ca 0.21 -1.11 -0.30 0.00 0.36 0.00 0.00 54.97 54.13 1gm1 s GLU 97 Cb 0.01 -2.01 -0.04 0.00 0.26 0.00 0.00 34.13 32.35 1gm1 s GLU 97 CO 0.06 0.51 1.18 0.21 -0.54 0.00 0.00 175.26 176.68 1gm1 s LYS 98 N -1.34 4.41 0.26 4.30 2.47 0.12 -1.42 119.74 128.54 1gm1 s LYS 98 Ca 0.12 1.69 -0.30 0.00 -1.56 0.00 0.00 55.97 55.93 1gm1 s LYS 98 Cb -0.10 -3.44 -0.10 0.00 -1.46 0.00 0.00 37.83 32.73 1gm1 s LYS 98 CO 0.03 -0.31 1.35 0.20 0.16 0.00 0.00 175.35 176.78 1gm1 s GLY 99 N 1.23 2.58 0.26 5.54 0.00 -1.25 -2.20 107.32 113.47 1gm1 s GLY 99 Ca 0.57 1.23 0.02 0.00 0.00 0.00 0.00 44.72 46.54 1gm1 s GLY 99 CO 0.26 2.09 1.67 0.06 0.00 0.00 0.00 173.10 177.18 1gm1 h GLN 100 N 4.62 0.45 -5.52 2.90 3.07 -1.94 -3.43 115.11 115.27 1gm1 h GLN 100 Ca -0.46 -0.20 -0.66 0.00 0.09 0.00 0.00 58.65 57.41 1gm1 h GLN 100 Cb 1.22 -0.01 -0.24 0.00 0.08 0.00 0.00 27.48 28.53 1gm1 h GLN 100 CO 0.74 0.74 -0.73 0.54 0.09 0.00 0.00 178.83 180.21 1gm1 s VAL 101 N -4.31 3.39 -2.00 1.86 0.11 -1.26 -4.94 120.40 113.25 1gm1 s VAL 101 Ca -0.06 -0.55 0.32 0.00 -2.93 0.00 0.00 61.98 58.75 1gm1 s VAL 101 Cb 0.13 -2.43 0.91 0.00 -1.53 0.00 0.00 36.38 33.46 1gm1 s VAL 101 CO 0.80 0.53 2.22 -0.81 -3.33 0.00 0.00 175.10 174.51