#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 0.40 0.00 1.64 -0.02 -1.26 -2.38 135.00 133.38 1gm1 n PRO 10 Ca 0.00 -0.89 0.00 0.00 -2.02 0.00 0.00 63.50 60.59 1gm1 n PRO 10 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1gm1 n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gm1 n GLY 11 N 4.31 1.79 3.86 -1.23 0.00 -1.14 -4.70 105.19 108.09 1gm1 n GLY 11 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.79 6.47 0.11 1.61 2.15 -1.00 -4.81 116.67 119.40 1gm1 s ASP 12 Ca 0.00 1.37 0.08 0.00 0.43 0.00 0.00 52.55 54.43 1gm1 s ASP 12 Cb 0.00 -2.43 -0.04 0.00 -0.30 0.00 0.00 42.92 40.15 1gm1 s ASP 12 CO 0.00 -0.62 -0.13 0.42 -0.17 0.00 0.00 175.17 174.68 1gm1 s THR 13 N -2.72 3.20 -0.10 1.71 -4.23 -1.26 -0.79 115.64 111.45 1gm1 s THR 13 Ca 0.55 -1.34 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1gm1 s THR 13 Cb -0.10 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.30 1gm1 s THR 13 CO 0.38 0.11 0.23 -0.36 -0.54 0.00 0.00 174.62 174.44 1gm1 s PHE 14 N -1.19 -0.31 -0.38 3.99 0.08 -0.67 -5.00 117.98 114.52 1gm1 s PHE 14 Ca 0.20 0.75 -0.23 0.00 0.12 0.00 0.00 56.93 57.77 1gm1 s PHE 14 Cb -0.11 -0.01 0.01 0.00 -0.57 0.00 0.00 43.02 42.34 1gm1 s PHE 14 CO 0.12 -0.24 0.77 -1.21 -0.10 0.00 0.00 175.22 174.56 1gm1 s GLU 15 N 1.50 3.68 -0.41 0.44 2.02 -1.26 -1.43 118.70 123.24 1gm1 s GLU 15 Ca -0.07 0.21 -0.16 0.00 0.02 0.00 0.00 54.97 54.97 1gm1 s GLU 15 Cb -0.11 -3.83 0.02 0.00 0.10 0.00 0.00 34.13 30.30 1gm1 s GLU 15 CO -0.08 -0.89 0.34 0.08 0.02 0.00 0.00 175.26 174.72 1gm1 s VAL 16 N 3.11 5.21 -0.83 2.63 1.01 -0.30 -4.90 120.40 126.33 1gm1 s VAL 16 Ca 0.30 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1gm1 s VAL 16 Cb -0.13 -3.95 0.21 0.00 0.00 0.00 0.00 36.38 32.52 1gm1 s VAL 16 CO 0.18 -0.32 0.73 -1.61 0.00 0.00 0.00 175.10 174.08 1gm1 s GLU 17 N 1.81 3.37 0.20 2.72 2.02 -1.26 -0.09 118.70 127.48 1gm1 s GLU 17 Ca 0.07 -2.72 -0.12 0.00 0.02 0.00 0.00 54.97 52.22 1gm1 s GLU 17 Cb -0.18 -4.19 -0.07 0.00 0.10 0.00 0.00 34.13 29.78 1gm1 s GLU 17 CO 0.11 -1.25 0.56 -0.51 0.02 0.00 0.00 175.26 174.20 1gm1 s LEU 18 N -0.34 4.24 -0.35 1.80 1.43 -0.12 -4.88 118.68 120.46 1gm1 s LEU 18 Ca 0.21 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 54.22 1gm1 s LEU 18 Cb -0.12 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.59 1gm1 s LEU 18 CO -0.08 0.00 0.19 0.00 0.23 0.00 0.00 176.35 176.69 1gm1 s ALA 19 N -1.66 3.30 0.03 4.21 0.00 -1.26 0.16 121.76 126.53 1gm1 s ALA 19 Ca 0.43 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 1gm1 s ALA 19 Cb -0.13 -2.52 -0.06 0.00 0.00 0.00 0.00 23.12 20.41 1gm1 s ALA 19 CO 0.20 -1.16 1.41 0.21 0.00 0.00 0.00 175.76 176.42 1gm1 s LYS 20 N 1.60 4.29 -0.23 0.00 2.20 0.55 -4.81 119.74 123.34 1gm1 s LYS 20 Ca 0.03 2.00 -0.08 0.00 -0.36 0.00 0.00 55.97 57.57 1gm1 s LYS 20 Cb -0.18 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.59 1gm1 s LYS 20 CO 0.07 -0.55 0.09 0.95 -0.36 0.00 0.00 175.35 175.55 1gm1 s THR 21 N 2.16 4.64 -1.66 3.43 -4.23 -1.23 -4.60 115.64 114.14 1gm1 s THR 21 Ca 0.64 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1gm1 s THR 21 Cb -0.33 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1gm1 s THR 21 CO 0.28 0.36 0.00 -0.67 -0.54 0.00 0.00 174.62 174.05 1gm1 n ASP 22 N 4.48 -5.07 0.00 3.99 2.03 -1.26 -1.03 116.55 119.69 1gm1 n ASP 22 Ca -0.16 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1gm1 n ASP 22 Cb 0.52 -4.12 0.00 0.00 -0.72 0.00 0.00 41.12 36.80 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 -0.93 0.76 3.28 0.27 0.00 -1.26 -5.02 105.19 102.29 1gm1 n GLY 23 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1gm1 n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gm1 s SER 24 N -2.52 5.75 -0.07 1.61 0.01 -0.20 -4.93 113.70 113.35 1gm1 s SER 24 Ca 0.00 -1.53 -0.23 0.00 1.31 0.00 0.00 55.95 55.51 1gm1 s SER 24 Cb 0.00 -2.03 -0.30 0.00 0.21 0.00 0.00 66.02 63.90 1gm1 s SER 24 CO 0.00 -0.58 0.83 0.25 0.41 0.00 0.00 173.24 174.14 1gm1 h LEU 25 N 8.49 0.37 0.00 2.44 5.85 -1.95 -3.23 115.31 127.27 1gm1 h LEU 25 Ca -0.24 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.54 1gm1 h LEU 25 Cb 1.09 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1gm1 h LEU 25 CO 0.80 1.35 0.00 0.61 -0.34 0.00 0.00 178.44 180.86 1gm1 n GLY 26 N 1.66 1.94 3.19 3.75 0.00 -1.26 0.47 105.19 114.94 1gm1 n GLY 26 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1gm1 n GLY 26 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gm1 s ILE 27 N -2.00 -0.01 -0.17 -0.61 2.07 -1.26 -1.10 121.20 118.11 1gm1 s ILE 27 Ca 0.00 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1gm1 s ILE 27 Cb 0.00 -0.47 -0.02 0.00 0.13 0.00 0.00 42.46 42.10 1gm1 s ILE 27 CO 0.00 0.02 -0.05 -0.44 -1.91 0.00 0.00 174.94 172.56 1gm1 s SER 28 N 0.63 4.50 0.45 4.50 0.01 0.03 -4.96 113.70 118.87 1gm1 s SER 28 Ca -0.04 -0.25 0.08 0.00 1.31 0.00 0.00 55.95 57.05 1gm1 s SER 28 Cb -0.05 -1.74 0.01 0.00 0.21 0.00 0.00 66.02 64.45 1gm1 s SER 28 CO -0.04 0.10 0.49 0.68 0.41 0.00 0.00 173.24 174.89 1gm1 s VAL 29 N 0.74 2.59 0.35 3.43 -7.23 -1.26 -0.59 120.40 118.43 1gm1 s VAL 29 Ca -0.02 -1.21 -0.14 0.00 -1.81 0.00 0.00 61.98 58.80 1gm1 s VAL 29 Cb -0.15 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.03 1gm1 s VAL 29 CO 0.02 0.00 0.70 0.28 -0.31 0.00 0.00 175.10 175.79 1gm1 s THR 30 N -2.49 0.00 0.00 5.32 -1.32 0.38 -4.63 115.64 112.90 1gm1 s THR 30 Ca 0.51 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 1gm1 s THR 30 Cb -0.05 -2.67 0.00 0.00 -1.51 0.00 0.00 72.50 68.27 1gm1 s THR 30 CO 0.30 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.32 1gm1 n GLY 31 N -0.52 0.30 0.00 6.08 0.00 -1.26 -0.37 105.19 109.42 1gm1 n GLY 31 Ca -0.06 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 0.99 0.26 -0.02 0.00 0.01 -4.19 105.19 102.25 1gm1 n GLY 32 Ca 0.00 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.76 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1gm1 h VAL 33 N 0.00 0.39 -0.34 1.61 -1.51 -1.51 -2.58 116.25 112.31 1gm1 h VAL 33 Ca 0.00 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1gm1 h VAL 33 Cb 0.00 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1gm1 h VAL 33 CO 0.00 0.11 0.00 -3.20 -1.23 0.00 0.00 177.57 173.25 1gm1 n ASN 34 N -3.41 3.31 0.00 4.19 2.85 -1.26 -1.16 115.26 119.77 1gm1 n ASN 34 Ca -0.01 -1.98 0.00 0.00 -0.11 0.00 0.00 54.58 52.48 1gm1 n ASN 34 Cb 0.28 -0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.08 1gm1 n ASN 34 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1gm1 n THR 35 N 1.41 0.00 0.08 -0.44 -1.04 -0.97 -4.94 114.28 108.37 1gm1 n THR 35 Ca 0.19 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.09 1gm1 n THR 35 Cb 0.59 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.97 1gm1 n THR 35 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1gm1 h SER 36 N 0.00 0.19 -1.81 8.00 0.02 -1.88 -3.40 113.55 114.67 1gm1 h SER 36 Ca 0.00 -0.21 -0.62 0.00 -0.84 0.00 0.00 61.79 60.12 1gm1 h SER 36 Cb 0.00 -0.06 -0.13 0.00 0.14 0.00 0.00 62.40 62.35 1gm1 h SER 36 CO 0.00 1.16 1.15 0.68 -1.14 0.00 0.00 176.83 178.68 1gm1 s VAL 37 N -2.68 4.19 -0.35 2.27 -7.23 -1.26 -4.98 120.40 110.35 1gm1 s VAL 37 Ca -0.01 -0.84 -0.28 0.00 -1.81 0.00 0.00 61.98 59.03 1gm1 s VAL 37 Cb 0.09 -4.92 -0.01 0.00 0.56 0.00 0.00 36.38 32.10 1gm1 s VAL 37 CO 0.85 -1.75 1.68 -0.60 -0.31 0.00 0.00 175.10 174.97 1gm1 s ARG 38 N 4.27 3.42 -1.30 4.82 3.52 -1.26 -1.16 118.95 131.26 1gm1 s ARG 38 Ca 0.38 1.29 -0.04 0.00 -0.13 0.00 0.00 55.73 57.23 1gm1 s ARG 38 Cb -0.04 -4.14 0.01 0.00 -1.56 0.00 0.00 34.95 29.22 1gm1 s ARG 38 CO -0.05 -1.76 1.03 0.72 -0.81 0.00 0.00 175.30 174.43 1gm1 n HIS 39 N 9.82 -2.42 0.17 5.12 8.25 -0.31 -4.98 115.22 130.86 1gm1 n HIS 39 Ca 0.21 0.95 -0.10 0.00 -0.26 0.00 0.00 57.72 58.53 1gm1 n HIS 39 Cb 0.47 -4.91 -0.05 0.00 1.12 0.00 0.00 29.99 26.62 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1gm1 h GLY 40 N -2.20 -0.51 0.00 -1.41 0.00 -1.33 -3.48 103.07 94.13 1gm1 h GLY 40 Ca -0.58 0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1gm1 h GLY 40 CO 0.54 -0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.51 1gm1 n GLY 41 N 0.34 -1.80 3.57 4.60 0.00 -1.26 -4.98 105.19 105.65 1gm1 n GLY 41 Ca -0.07 -2.20 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.79 4.68 0.19 -0.61 -1.09 -1.26 -0.81 121.20 121.51 1gm1 s ILE 42 Ca 0.00 -0.06 0.08 0.00 -2.23 0.00 0.00 60.65 58.44 1gm1 s ILE 42 Cb 0.00 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 1gm1 s ILE 42 CO 0.00 0.40 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.65 1gm1 s TYR 43 N 0.93 1.68 -0.17 3.97 2.02 0.50 -1.18 117.35 125.10 1gm1 s TYR 43 Ca 0.04 -0.56 -0.29 0.00 -0.37 0.00 0.00 57.07 55.89 1gm1 s TYR 43 Cb -0.14 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1gm1 s TYR 43 CO 0.03 0.32 1.21 0.08 -1.57 0.00 0.00 175.55 175.62 1gm1 s VAL 44 N -2.78 4.36 -0.22 0.71 1.01 -0.19 -0.47 120.40 122.82 1gm1 s VAL 44 Ca 0.20 1.65 -0.14 0.00 0.00 0.00 0.00 61.98 63.69 1gm1 s VAL 44 Cb -0.02 -4.06 -0.18 0.00 0.00 0.00 0.00 36.38 32.12 1gm1 s VAL 44 CO 0.06 -0.14 0.03 1.17 0.00 0.00 0.00 175.10 176.23 1gm1 n LYS 45 N 6.46 0.62 -3.56 2.72 4.81 0.24 -1.10 118.16 128.35 1gm1 n LYS 45 Ca 0.13 0.38 -0.16 0.00 -0.87 0.00 0.00 58.31 57.80 1gm1 n LYS 45 Cb 0.45 -1.64 -0.06 0.00 0.02 0.00 0.00 35.03 33.80 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 -2.46 -1.51 -0.22 3.14 0.00 -0.91 -4.81 121.76 114.99 1gm1 s ALA 46 Ca -0.31 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.51 1gm1 s ALA 46 Cb 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 1gm1 s ALA 46 CO 0.60 -0.43 0.01 -1.50 0.00 0.00 0.00 175.76 174.44 1gm1 s ILE 47 N -1.79 3.96 -0.11 0.00 1.10 -1.26 -0.79 121.20 122.31 1gm1 s ILE 47 Ca -0.09 -0.30 -0.30 0.00 -0.51 0.00 0.00 60.65 59.46 1gm1 s ILE 47 Cb -0.01 -2.81 -0.02 0.00 0.15 0.00 0.00 42.46 39.77 1gm1 s ILE 47 CO 0.04 0.40 1.12 -0.63 -2.11 0.00 0.00 174.94 173.76 1gm1 s ILE 48 N 1.29 4.49 0.09 2.00 -1.09 -0.26 -4.96 121.20 122.77 1gm1 s ILE 48 Ca 0.04 1.79 -0.33 0.00 -2.23 0.00 0.00 60.65 59.93 1gm1 s ILE 48 Cb -0.15 -4.15 -0.12 0.00 -1.58 0.00 0.00 42.46 36.46 1gm1 s ILE 48 CO 0.01 -0.04 1.77 -2.65 -1.23 0.00 0.00 174.94 172.80 1gm1 n PRO 49 N 5.46 2.49 -0.85 2.79 -0.02 -1.26 -2.10 135.00 141.51 1gm1 n PRO 49 Ca 0.11 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1gm1 n PRO 49 Cb 0.47 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 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 5.15 0.00 -2.25 -0.52 5.02 -1.26 -5.08 118.16 119.22 1gm1 n LYS 50 Ca 0.19 0.27 -0.28 0.00 -2.02 0.00 0.00 58.31 56.46 1gm1 n LYS 50 Cb 0.33 -3.09 0.02 0.00 -0.02 0.00 0.00 35.03 32.28 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 -2.54 1.59 0.15 0.72 0.00 -0.89 -4.95 107.32 101.40 1gm1 s GLY 51 Ca 0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 44.72 44.00 1gm1 s GLY 51 CO 0.00 -0.19 1.59 0.00 0.00 0.00 0.00 173.10 174.50 1gm1 h ALA 52 N -0.19 -0.39 -0.18 3.20 0.00 -1.22 -1.75 119.26 118.73 1gm1 h ALA 52 Ca -0.45 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1gm1 h ALA 52 Cb 1.23 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1gm1 h ALA 52 CO 0.62 -0.83 0.08 0.00 0.00 0.00 0.00 179.25 179.12 1gm1 h ALA 53 N 0.42 0.24 -0.13 0.00 0.00 -0.27 -2.61 119.26 116.91 1gm1 h ALA 53 Ca 0.12 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1gm1 h ALA 53 Cb 0.57 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1gm1 h ALA 53 CO -0.46 -0.18 -0.49 1.49 0.00 0.00 0.00 179.25 179.61 1gm1 h GLU 54 N 0.15 -0.50 -0.11 0.00 4.22 -1.67 -2.78 114.58 113.89 1gm1 h GLU 54 Ca 0.06 0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.43 1gm1 h GLU 54 Cb 0.15 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1gm1 h GLU 54 CO -0.01 -0.33 -0.42 0.77 -2.18 0.00 0.00 179.01 176.84 1gm1 h SER 55 N -0.52 0.27 0.00 1.04 0.02 -1.34 -3.29 113.55 109.73 1gm1 h SER 55 Ca 0.03 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1gm1 h SER 55 Cb 0.61 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1gm1 h SER 55 CO -0.40 0.66 0.00 -0.67 -1.14 0.00 0.00 176.83 175.28 1gm1 n ASP 56 N -4.02 0.00 0.00 3.07 -0.08 -0.99 -4.98 116.55 109.56 1gm1 n ASP 56 Ca -0.02 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.25 1gm1 n ASP 56 Cb 0.49 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1gm1 n ASP 56 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1gm1 n GLY 57 N -0.99 0.90 0.24 0.27 0.00 -1.06 -4.93 105.19 99.63 1gm1 n GLY 57 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 1.80 0.00 -5.34 1.61 2.47 -1.93 -3.42 114.38 109.57 1gm1 h ARG 58 Ca 0.00 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 1gm1 h ARG 58 Cb 0.00 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 28.13 1gm1 h ARG 58 CO 0.00 0.17 -0.62 0.42 0.56 0.00 0.00 179.97 180.50 1gm1 s ILE 59 N -4.26 4.32 0.34 2.04 1.01 -1.26 -4.98 121.20 118.41 1gm1 s ILE 59 Ca -0.03 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1gm1 s ILE 59 Cb 0.14 -2.91 -0.07 0.00 0.01 0.00 0.00 42.46 39.63 1gm1 s ILE 59 CO 0.63 0.49 0.05 -1.00 0.00 0.00 0.00 174.94 175.11 1gm1 s HIS 60 N 0.26 2.05 0.20 3.97 3.76 -1.26 -4.90 115.29 119.36 1gm1 s HIS 60 Ca 0.00 -0.92 -0.32 0.00 -0.15 0.00 0.00 55.06 53.68 1gm1 s HIS 60 Cb -0.13 -1.36 -0.12 0.00 1.11 0.00 0.00 32.58 32.09 1gm1 s HIS 60 CO 0.02 0.07 1.72 0.21 -0.85 0.00 0.00 174.74 175.90 1gm1 s LYS 61 N -3.87 4.13 0.00 1.40 2.20 -1.26 -2.41 119.74 119.94 1gm1 s LYS 61 Ca 0.36 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.56 1gm1 s LYS 61 Cb 0.09 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1gm1 s LYS 61 CO 0.16 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 1gm1 n GLY 62 N 3.98 0.77 3.82 5.54 0.00 -0.26 -4.98 105.19 114.05 1gm1 n GLY 62 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 5.09 -0.27 1.61 1.01 -1.01 -4.58 116.67 115.94 1gm1 s ASP 63 Ca 0.00 1.47 -0.06 0.00 0.71 0.00 0.00 52.55 54.67 1gm1 s ASP 63 Cb 0.00 -2.30 -0.00 0.00 1.01 0.00 0.00 42.92 41.63 1gm1 s ASP 63 CO 0.00 -1.61 0.06 -0.60 0.21 0.00 0.00 175.17 173.23 1gm1 s ARG 64 N -5.11 3.26 -0.03 8.23 6.06 -0.88 -1.03 118.95 129.45 1gm1 s ARG 64 Ca 0.59 -0.74 -0.25 0.00 -2.50 0.00 0.00 55.73 52.83 1gm1 s ARG 64 Cb -0.14 -3.29 -0.04 0.00 0.06 0.00 0.00 34.95 31.54 1gm1 s ARG 64 CO 0.55 -0.34 0.78 0.08 -2.50 0.00 0.00 175.30 173.86 1gm1 s VAL 65 N 1.52 4.96 -0.10 7.11 1.01 -0.32 -0.54 120.40 134.03 1gm1 s VAL 65 Ca 0.04 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.68 1gm1 s VAL 65 Cb -0.16 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1gm1 s VAL 65 CO 0.02 0.24 -0.06 -0.11 0.00 0.00 0.00 175.10 175.19 1gm1 n LEU 66 N 3.68 1.97 -3.73 3.92 7.94 0.39 -4.35 117.00 126.82 1gm1 n LEU 66 Ca 0.00 -0.04 -0.13 0.00 -1.11 0.00 0.00 56.01 54.74 1gm1 n LEU 66 Cb 0.51 -0.19 -0.08 0.00 0.53 0.00 0.00 43.42 44.20 1gm1 n LEU 66 CO 0.48 0.53 0.07 0.00 -1.11 0.00 0.00 177.39 177.36 1gm1 s ALA 67 N -2.22 -0.85 -0.22 1.96 0.00 -0.71 -1.23 121.76 118.49 1gm1 s ALA 67 Ca -0.11 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1gm1 s ALA 67 Cb 0.03 0.20 0.04 0.00 0.00 0.00 0.00 23.12 23.39 1gm1 s ALA 67 CO 0.29 -0.35 -0.14 0.08 0.00 0.00 0.00 175.76 175.64 1gm1 s VAL 68 N -1.91 2.03 -1.34 0.00 1.01 -0.09 -0.55 120.40 119.56 1gm1 s VAL 68 Ca -0.09 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 1gm1 s VAL 68 Cb -0.03 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1gm1 s VAL 68 CO 0.01 0.22 0.75 -3.20 0.00 0.00 0.00 175.10 172.88 1gm1 n ASN 69 N 4.55 -1.72 0.00 3.32 5.15 0.11 -1.18 115.26 125.49 1gm1 n ASN 69 Ca -0.17 -0.81 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 1gm1 n ASN 69 Cb 0.46 -4.07 0.00 0.00 -0.53 0.00 0.00 39.78 35.64 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 -1.59 2.98 3.45 8.20 0.00 -1.26 -5.00 105.19 111.97 1gm1 n GLY 70 Ca -0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.01 4.88 0.27 1.61 1.01 -0.33 -5.04 120.40 120.80 1gm1 s VAL 71 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1gm1 s VAL 71 Cb 0.00 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 1gm1 s VAL 71 CO 0.00 -0.78 1.17 -0.94 0.00 0.00 0.00 175.10 174.55 1gm1 s SER 72 N 2.64 7.11 -0.18 3.32 1.04 -1.26 -0.92 113.70 125.45 1gm1 s SER 72 Ca 0.15 2.36 0.01 0.00 0.48 0.00 0.00 55.95 58.95 1gm1 s SER 72 Cb -0.19 -2.63 0.22 0.00 0.10 0.00 0.00 66.02 63.52 1gm1 s SER 72 CO 0.12 -0.29 1.51 0.18 0.98 0.00 0.00 173.24 175.74 1gm1 n LEU 73 N 1.42 4.83 -4.72 2.42 4.77 -0.37 -4.92 117.00 120.44 1gm1 n LEU 73 Ca 0.00 -2.47 -0.42 0.00 -0.03 0.00 0.00 56.01 53.09 1gm1 n LEU 73 Cb 0.44 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1gm1 n LEU 73 CO 0.56 0.82 1.04 -1.83 -1.33 0.00 0.00 177.39 176.65 1gm1 s GLU 74 N -1.23 4.33 0.00 3.23 -1.05 -1.26 -2.60 118.70 120.12 1gm1 s GLU 74 Ca 0.21 2.04 0.00 0.00 -0.15 0.00 0.00 54.97 57.08 1gm1 s GLU 74 Cb 0.17 -3.25 0.00 0.00 -0.44 0.00 0.00 34.13 30.61 1gm1 s GLU 74 CO 0.03 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.24 1gm1 n GLY 75 N 3.41 0.17 3.77 -3.83 0.00 -1.26 -4.95 105.19 102.49 1gm1 n GLY 75 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.38 3.30 0.77 4.61 0.00 -1.07 -4.77 121.76 123.21 1gm1 s ALA 76 Ca 0.00 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.89 1gm1 s ALA 76 Cb 0.00 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.87 1gm1 s ALA 76 CO 0.00 -0.41 1.07 0.95 0.00 0.00 0.00 175.76 177.37 1gm1 s THR 77 N -1.30 2.17 0.23 0.00 -4.23 -1.26 -1.61 115.64 109.64 1gm1 s THR 77 Ca 0.51 -0.37 -0.07 0.00 -1.18 0.00 0.00 61.69 60.59 1gm1 s THR 77 Cb -0.32 -2.81 0.20 0.00 1.34 0.00 0.00 72.50 70.90 1gm1 s THR 77 CO 0.41 0.00 1.84 -0.74 -0.54 0.00 0.00 174.62 175.60 1gm1 h HIS 78 N -0.78 1.22 -0.47 3.99 2.76 -1.86 -2.88 115.15 117.13 1gm1 h HIS 78 Ca -0.41 -0.04 0.07 0.00 -2.20 0.00 0.00 60.37 57.79 1gm1 h HIS 78 Cb 1.27 -0.39 -0.06 0.00 1.55 0.00 0.00 27.41 29.79 1gm1 h HIS 78 CO -0.26 0.85 0.14 -0.22 -1.30 0.00 0.00 177.93 177.14 1gm1 h LYS 79 N 1.23 0.28 -0.02 5.26 1.63 -1.94 -2.71 116.57 120.30 1gm1 h LYS 79 Ca 0.31 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 60.11 1gm1 h LYS 79 Cb 0.05 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 1gm1 h LYS 79 CO -0.05 0.19 -0.13 1.96 -3.45 0.00 0.00 179.45 177.97 1gm1 h GLN 80 N 0.29 -0.20 -0.75 1.90 1.08 -1.89 0.03 115.11 115.57 1gm1 h GLN 80 Ca 0.23 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1gm1 h GLN 80 Cb 0.26 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 1gm1 h GLN 80 CO -0.26 -0.13 0.48 0.00 -0.95 0.00 0.00 178.83 177.97 1gm1 h ALA 81 N 0.77 0.96 -0.13 3.87 0.00 -1.53 -0.11 119.26 123.08 1gm1 h ALA 81 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1gm1 h ALA 81 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1gm1 h ALA 81 CO -0.14 0.39 0.02 0.28 0.00 0.00 0.00 179.25 179.81 1gm1 h VAL 82 N 1.03 1.22 -0.66 0.00 2.07 -1.21 -0.00 116.25 118.69 1gm1 h VAL 82 Ca 0.27 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1gm1 h VAL 82 Cb -0.09 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1gm1 h VAL 82 CO -0.06 0.20 0.21 -0.33 0.02 0.00 0.00 177.57 177.61 1gm1 h GLU 83 N -0.00 1.02 -0.27 1.57 5.08 -0.85 0.01 114.58 121.14 1gm1 h GLU 83 Ca 0.04 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1gm1 h GLU 83 Cb 0.29 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1gm1 h GLU 83 CO 0.00 0.89 0.16 1.15 -1.00 0.00 0.00 179.01 180.21 1gm1 h THR 84 N 0.95 1.10 0.00 1.13 2.02 -0.95 -2.54 112.91 114.62 1gm1 h THR 84 Ca 0.21 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1gm1 h THR 84 Cb 0.29 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1gm1 h THR 84 CO -0.01 0.10 -0.41 -0.07 0.37 0.00 0.00 175.52 175.51 1gm1 h LEU 85 N 0.34 0.00 -1.17 2.58 3.38 -0.85 -2.88 115.31 116.70 1gm1 h LEU 85 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1gm1 h LEU 85 Cb 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1gm1 h LEU 85 CO -0.02 0.41 0.18 -0.09 0.09 0.00 0.00 178.44 179.01 1gm1 h ARG 86 N 0.00 0.77 -1.99 1.13 2.43 -0.75 -3.06 114.38 112.91 1gm1 h ARG 86 Ca -0.00 -0.12 -0.62 0.00 -0.81 0.00 0.00 59.98 58.42 1gm1 h ARG 86 Cb 0.74 -0.13 -0.22 0.00 -0.42 0.00 0.00 29.97 29.94 1gm1 h ARG 86 CO 0.05 0.65 0.69 -1.71 -1.51 0.00 0.00 179.97 178.15 1gm1 n ASN 87 N -4.32 6.95 -4.67 -3.80 2.85 -0.98 -4.90 115.26 106.39 1gm1 n ASN 87 Ca 0.04 -3.49 -0.35 0.00 -0.11 0.00 0.00 54.58 50.68 1gm1 n ASN 87 Cb 0.18 -1.16 -0.10 0.00 1.24 0.00 0.00 39.78 39.94 1gm1 n ASN 87 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1gm1 s THR 88 N -3.51 4.24 0.00 -0.44 -4.23 -1.16 -5.00 115.64 105.54 1gm1 s THR 88 Ca 0.56 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1gm1 s THR 88 Cb 0.41 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1gm1 s THR 88 CO -0.31 0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1gm1 n GLY 89 N 2.19 1.57 0.28 3.99 0.00 -1.26 -5.04 105.19 106.91 1gm1 n GLY 89 Ca -0.18 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.63 -5.37 1.61 4.15 -1.94 -3.43 115.11 109.49 1gm1 h GLN 90 Ca 0.00 0.04 -0.62 0.00 0.77 0.00 0.00 58.65 58.84 1gm1 h GLN 90 Cb 0.00 0.14 -0.13 0.00 0.21 0.00 0.00 27.48 27.70 1gm1 h GLN 90 CO 0.00 -0.42 0.03 0.08 -1.93 0.00 0.00 178.83 176.58 1gm1 s VAL 91 N -3.73 5.02 -0.27 2.39 1.01 -1.26 -0.33 120.40 123.24 1gm1 s VAL 91 Ca -0.10 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1gm1 s VAL 91 Cb 0.01 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1gm1 s VAL 91 CO 0.29 -0.04 -0.08 -0.69 0.00 0.00 0.00 175.10 174.58 1gm1 s VAL 92 N 2.42 2.48 -0.50 2.92 1.01 0.12 -4.98 120.40 123.87 1gm1 s VAL 92 Ca 0.22 -1.46 -0.16 0.00 0.00 0.00 0.00 61.98 60.58 1gm1 s VAL 92 Cb -0.15 -2.41 0.10 0.00 0.00 0.00 0.00 36.38 33.92 1gm1 s VAL 92 CO 0.11 0.00 0.45 -1.00 0.00 0.00 0.00 175.10 174.66 1gm1 s HIS 93 N 1.18 3.24 0.53 5.22 3.76 -1.26 -0.95 115.29 127.01 1gm1 s HIS 93 Ca -0.06 -1.06 0.01 0.00 -0.15 0.00 0.00 55.06 53.79 1gm1 s HIS 93 Cb -0.19 -3.45 0.02 0.00 1.11 0.00 0.00 32.58 30.07 1gm1 s HIS 93 CO -0.04 -0.90 0.75 -0.51 -0.85 0.00 0.00 174.74 173.19 1gm1 s LEU 94 N 1.68 3.37 -0.02 0.89 1.43 0.88 0.06 118.68 126.96 1gm1 s LEU 94 Ca 0.04 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1gm1 s LEU 94 Cb -0.26 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.97 1gm1 s LEU 94 CO 0.05 -1.02 -0.14 -0.22 0.23 0.00 0.00 176.35 175.26 1gm1 s LEU 95 N -4.72 1.93 0.09 1.79 2.96 0.29 -1.15 118.68 119.88 1gm1 s LEU 95 Ca 0.55 -0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.13 1gm1 s LEU 95 Cb -0.10 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 1gm1 s LEU 95 CO 0.39 0.14 0.14 -1.48 -1.32 0.00 0.00 176.35 174.21 1gm1 s LEU 96 N -0.10 1.66 0.03 -0.68 0.05 -0.51 -0.46 118.68 118.67 1gm1 s LEU 96 Ca 0.01 -0.82 -0.07 0.00 0.05 0.00 0.00 54.13 53.30 1gm1 s LEU 96 Cb -0.08 0.78 -0.05 0.00 -2.05 0.00 0.00 46.19 44.79 1gm1 s LEU 96 CO 0.00 -0.72 0.31 -1.61 -0.55 0.00 0.00 176.35 173.78 1gm1 s GLU 97 N -3.91 3.64 -0.03 1.48 2.02 0.29 -1.66 118.70 120.54 1gm1 s GLU 97 Ca 0.09 -0.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.78 1gm1 s GLU 97 Cb 0.06 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 1gm1 s GLU 97 CO -0.08 0.62 1.11 0.21 0.02 0.00 0.00 175.26 177.13 1gm1 s LYS 98 N -1.83 4.43 -0.51 1.61 2.36 0.03 -2.07 119.74 123.76 1gm1 s LYS 98 Ca 0.29 1.58 -0.30 0.00 -2.55 0.00 0.00 55.97 55.00 1gm1 s LYS 98 Cb -0.13 -3.48 -0.11 0.00 -1.05 0.00 0.00 37.83 33.06 1gm1 s LYS 98 CO 0.17 -0.28 2.39 0.41 1.55 0.00 0.00 175.35 179.59 1gm1 n GLY 99 N 3.16 0.24 0.09 5.54 0.00 -1.26 -2.90 105.19 110.06 1gm1 n GLY 99 Ca 0.09 0.84 -0.03 0.00 0.00 0.00 0.00 46.02 46.91 1gm1 n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1gm1 h GLN 100 N 15.79 -0.20 -5.83 1.61 4.15 -1.90 -3.44 115.11 125.29 1gm1 h GLN 100 Ca -0.23 0.01 -0.67 0.00 0.77 0.00 0.00 58.65 58.53 1gm1 h GLN 100 Cb 1.29 0.05 -0.19 0.00 0.21 0.00 0.00 27.48 28.84 1gm1 h GLN 100 CO 1.14 -0.13 -0.66 0.54 -1.93 0.00 0.00 178.83 177.78 1gm1 s VAL 101 N -2.94 3.95 -2.00 2.39 0.11 -1.26 -4.79 120.40 115.86 1gm1 s VAL 101 Ca -0.03 -0.37 0.09 0.00 -2.93 0.00 0.00 61.98 58.74 1gm1 s VAL 101 Cb 0.00 -2.67 0.25 0.00 -1.53 0.00 0.00 36.38 32.43 1gm1 s VAL 101 CO 0.09 0.57 0.97 -2.65 -3.33 0.00 0.00 175.10 170.75