#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 0.81 -0.74 1.64 -0.02 -1.26 -4.54 135.00 130.88 1gm1 n PRO 10 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1gm1 n PRO 10 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.26 0.91 0.45 -1.23 0.00 -1.26 -4.90 105.19 99.41 1gm1 n GLY 11 Ca 0.00 -0.55 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1gm1 n GLY 11 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gm1 h ASP 12 N 0.00 -1.29 -3.46 1.61 3.58 -1.91 -3.26 116.42 111.69 1gm1 h ASP 12 Ca 0.00 0.12 -0.56 0.00 0.42 0.00 0.00 57.03 57.01 1gm1 h ASP 12 Cb 0.49 0.45 -0.18 0.00 1.72 0.00 0.00 39.33 41.82 1gm1 h ASP 12 CO 0.00 -0.56 -0.80 0.42 -2.88 0.00 0.00 179.24 175.42 1gm1 s THR 13 N -5.90 1.97 0.00 2.25 -4.23 -1.26 -1.30 115.64 107.18 1gm1 s THR 13 Ca -0.17 -1.94 -0.07 0.00 -1.18 0.00 0.00 61.69 58.33 1gm1 s THR 13 Cb 0.06 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1gm1 s THR 13 CO 0.62 -0.25 0.13 -0.36 -0.54 0.00 0.00 174.62 174.22 1gm1 s PHE 14 N -1.90 0.05 -0.23 3.99 0.40 -0.06 -4.98 117.98 115.25 1gm1 s PHE 14 Ca 0.17 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.23 1gm1 s PHE 14 Cb -0.07 -0.06 -0.05 0.00 0.51 0.00 0.00 43.02 43.36 1gm1 s PHE 14 CO 0.07 -0.28 0.17 -1.21 0.70 0.00 0.00 175.22 174.67 1gm1 s GLU 15 N -1.39 4.10 -0.44 0.44 2.02 -1.26 -1.44 118.70 120.73 1gm1 s GLU 15 Ca -0.15 -0.23 0.03 0.00 0.02 0.00 0.00 54.97 54.65 1gm1 s GLU 15 Cb -0.08 -3.52 0.12 0.00 0.10 0.00 0.00 34.13 30.75 1gm1 s GLU 15 CO 0.01 0.09 0.17 0.08 0.02 0.00 0.00 175.26 175.64 1gm1 s VAL 16 N 0.96 2.52 -1.16 2.63 1.01 0.36 -5.01 120.40 121.71 1gm1 s VAL 16 Ca 0.08 -2.83 -0.14 0.00 0.00 0.00 0.00 61.98 59.09 1gm1 s VAL 16 Cb -0.13 -2.79 0.18 0.00 0.00 0.00 0.00 36.38 33.63 1gm1 s VAL 16 CO 0.04 -0.71 1.36 -1.61 0.00 0.00 0.00 175.10 174.18 1gm1 s GLU 17 N 0.30 4.03 -0.12 2.72 8.01 -1.26 -0.28 118.70 132.10 1gm1 s GLU 17 Ca 0.14 -2.53 -0.13 0.00 0.01 0.00 0.00 54.97 52.46 1gm1 s GLU 17 Cb -0.23 -5.00 -0.05 0.00 -4.31 0.00 0.00 34.13 24.55 1gm1 s GLU 17 CO -0.04 -1.72 0.28 -1.17 0.01 0.00 0.00 175.26 172.63 1gm1 s LEU 18 N 1.47 4.31 -0.12 1.80 2.96 0.17 -4.85 118.68 124.41 1gm1 s LEU 18 Ca 0.40 0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 54.83 1gm1 s LEU 18 Cb -0.04 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1gm1 s LEU 18 CO -0.02 0.20 0.10 0.00 -1.32 0.00 0.00 176.35 175.30 1gm1 s ALA 19 N -0.07 3.67 0.71 5.97 0.00 -1.26 0.64 121.76 131.42 1gm1 s ALA 19 Ca 0.17 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.30 1gm1 s ALA 19 Cb -0.13 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.17 1gm1 s ALA 19 CO 0.05 0.55 1.12 0.15 0.00 0.00 0.00 175.76 177.64 1gm1 s LYS 20 N -0.81 2.46 -0.03 0.00 1.02 -0.89 -4.88 119.74 116.60 1gm1 s LYS 20 Ca 0.13 1.39 0.03 0.00 0.02 0.00 0.00 55.97 57.55 1gm1 s LYS 20 Cb -0.12 -1.91 -0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1gm1 s LYS 20 CO 0.03 -1.51 -0.13 -0.08 -0.92 0.00 0.00 175.35 172.73 1gm1 s THR 21 N -2.46 1.09 -0.99 2.17 -1.32 -1.09 -4.85 115.64 108.19 1gm1 s THR 21 Ca 0.66 -0.53 -0.05 0.00 -1.21 0.00 0.00 61.69 60.56 1gm1 s THR 21 Cb -0.21 -0.95 0.01 0.00 -1.51 0.00 0.00 72.50 69.84 1gm1 s THR 21 CO 0.47 0.32 0.10 -0.67 -2.21 0.00 0.00 174.62 172.63 1gm1 n ASP 22 N 3.19 -0.07 0.00 8.08 2.03 -1.26 -1.13 116.55 127.39 1gm1 n ASP 22 Ca -0.18 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1gm1 n ASP 22 Cb 0.54 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 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 -1.99 1.93 3.36 0.27 0.00 -1.26 -5.01 105.19 102.50 1gm1 n GLY 23 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.45 3.10 -0.16 1.61 0.01 -0.28 -5.04 113.70 109.48 1gm1 s SER 24 Ca 0.00 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 1gm1 s SER 24 Cb 0.00 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 1gm1 s SER 24 CO 0.00 0.13 -0.32 0.18 0.41 0.00 0.00 173.24 173.64 1gm1 n LEU 25 N 0.87 1.84 0.00 2.44 4.77 -1.26 -2.68 117.00 122.98 1gm1 n LEU 25 Ca -0.18 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1gm1 n LEU 25 Cb 0.54 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1gm1 n LEU 25 CO 0.24 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 1gm1 n GLY 26 N 1.59 0.93 3.63 -0.72 0.00 -1.26 0.07 105.19 109.43 1gm1 n GLY 26 Ca -0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.78 3.49 -0.04 -0.61 -4.36 -1.26 -1.39 121.20 115.25 1gm1 s ILE 27 Ca 0.00 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 1gm1 s ILE 27 Cb 0.00 -2.79 0.01 0.00 1.25 0.00 0.00 42.46 40.93 1gm1 s ILE 27 CO 0.00 -0.21 -0.09 -0.55 0.24 0.00 0.00 174.94 174.33 1gm1 s SER 28 N -3.19 1.36 0.27 4.36 0.15 -0.32 -4.82 113.70 111.51 1gm1 s SER 28 Ca 0.28 -0.21 0.10 0.00 0.70 0.00 0.00 55.95 56.82 1gm1 s SER 28 Cb -0.08 -0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 1gm1 s SER 28 CO 0.18 0.03 -0.05 0.68 1.20 0.00 0.00 173.24 175.28 1gm1 s VAL 29 N 0.50 3.19 0.33 4.45 -7.23 -1.26 -0.88 120.40 119.50 1gm1 s VAL 29 Ca -0.09 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.03 1gm1 s VAL 29 Cb -0.12 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.11 1gm1 s VAL 29 CO 0.02 -0.37 0.46 1.07 -0.31 0.00 0.00 175.10 175.96 1gm1 n THR 30 N -0.83 0.00 0.00 5.32 5.66 0.78 -4.74 114.28 120.47 1gm1 n THR 30 Ca -0.06 -1.65 0.00 0.00 -3.05 0.00 0.00 64.05 59.29 1gm1 n THR 30 Cb 0.59 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.39 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 -0.54 0.56 0.00 1.09 0.00 -1.26 -1.07 105.19 103.96 1gm1 n GLY 31 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 1.35 0.11 -0.02 0.00 0.06 -4.57 105.19 102.12 1gm1 n GLY 32 Ca 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 46.02 43.97 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 1.35 -0.02 1.61 3.04 -1.79 -3.29 116.25 117.14 1gm1 h VAL 33 Ca 0.00 -2.65 -0.09 0.00 -1.01 0.00 0.00 66.70 62.95 1gm1 h VAL 33 Cb 0.00 2.50 0.01 0.00 -2.01 0.00 0.00 31.29 31.79 1gm1 h VAL 33 CO 0.00 0.71 -0.35 0.78 -1.01 0.00 0.00 177.57 177.70 1gm1 h ASN 34 N 0.00 0.35 -2.97 3.17 4.21 -1.90 -3.43 115.58 115.00 1gm1 h ASN 34 Ca -0.01 -0.73 -0.46 0.00 1.21 0.00 0.00 56.30 56.32 1gm1 h ASN 34 Cb 1.44 -0.10 0.10 0.00 -1.12 0.00 0.00 38.32 38.64 1gm1 h ASN 34 CO 0.09 1.03 0.20 0.28 -1.29 0.00 0.00 177.43 177.74 1gm1 s THR 35 N -3.32 2.16 -0.13 2.81 -1.32 -1.26 -4.96 115.64 109.63 1gm1 s THR 35 Ca -0.15 -0.38 -0.03 0.00 -1.21 0.00 0.00 61.69 59.92 1gm1 s THR 35 Cb 0.02 -2.78 -0.07 0.00 -1.51 0.00 0.00 72.50 68.16 1gm1 s THR 35 CO 0.77 0.00 2.84 -1.54 -2.21 0.00 0.00 174.62 174.48 1gm1 n SER 36 N -3.06 5.67 -3.52 8.08 3.41 -1.26 -4.73 113.62 118.21 1gm1 n SER 36 Ca 0.13 -2.68 -0.20 0.00 -0.26 0.00 0.00 58.87 55.86 1gm1 n SER 36 Cb 0.60 -1.26 0.13 0.00 -0.26 0.00 0.00 64.21 63.42 1gm1 n SER 36 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1gm1 n VAL 37 N 1.65 0.00 -2.14 -3.33 0.24 -1.26 -4.95 118.33 108.53 1gm1 n VAL 37 Ca 0.31 -0.83 -0.40 0.00 -2.04 0.00 0.00 64.34 61.38 1gm1 n VAL 37 Cb 0.70 -1.47 -0.03 0.00 -1.47 0.00 0.00 33.84 31.57 1gm1 n VAL 37 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1gm1 s ARG 38 N -4.90 2.91 -1.71 7.34 3.00 -1.26 -3.98 118.95 120.34 1gm1 s ARG 38 Ca 0.53 0.63 0.00 0.00 0.00 0.00 0.00 55.73 56.89 1gm1 s ARG 38 Cb -0.02 -4.29 0.00 0.00 0.00 0.00 0.00 34.95 30.64 1gm1 s ARG 38 CO 0.37 -2.40 0.00 1.58 0.00 0.00 0.00 175.30 174.84 1gm1 n HIS 39 N 11.51 -0.15 -1.95 -0.53 -0.00 -1.26 -3.70 115.22 119.13 1gm1 n HIS 39 Ca 0.18 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.36 1gm1 n HIS 39 Cb 0.50 -2.98 0.00 0.00 -0.12 0.00 0.00 29.99 27.40 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 -0.23 -0.51 3.27 1.57 0.00 -1.26 -5.03 105.19 103.00 1gm1 n GLY 40 Ca -0.16 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.34 2.02 -0.30 -0.02 0.00 -1.24 -4.50 107.32 100.93 1gm1 s GLY 41 Ca 0.01 -1.88 -0.10 0.00 0.00 0.00 0.00 44.72 42.75 1gm1 s GLY 41 CO 0.22 -1.48 0.17 -0.42 0.00 0.00 0.00 173.10 171.58 1gm1 s ILE 42 N -3.69 4.85 0.11 0.90 -1.09 -1.26 -0.76 121.20 120.26 1gm1 s ILE 42 Ca 0.39 -0.21 0.09 0.00 -2.23 0.00 0.00 60.65 58.69 1gm1 s ILE 42 Cb 0.04 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 1gm1 s ILE 42 CO 0.21 0.13 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.51 1gm1 s TYR 43 N 1.67 1.98 -0.15 3.97 2.02 -0.24 -1.44 117.35 125.16 1gm1 s TYR 43 Ca 0.06 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.06 1gm1 s TYR 43 Cb -0.17 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 1gm1 s TYR 43 CO 0.08 0.25 1.11 0.08 -1.57 0.00 0.00 175.55 175.49 1gm1 s VAL 44 N -1.11 4.54 -0.19 0.71 1.01 0.33 -0.15 120.40 125.53 1gm1 s VAL 44 Ca 0.09 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 1gm1 s VAL 44 Cb -0.10 -4.19 -0.21 0.00 0.00 0.00 0.00 36.38 31.88 1gm1 s VAL 44 CO 0.05 -0.08 0.07 2.29 0.00 0.00 0.00 175.10 177.42 1gm1 n LYS 45 N 5.78 0.70 -3.65 2.72 -0.00 -0.06 -1.05 118.16 122.61 1gm1 n LYS 45 Ca 0.11 0.20 -0.11 0.00 -0.00 0.00 0.00 58.31 58.51 1gm1 n LYS 45 Cb 0.47 -1.61 -0.05 0.00 -0.00 0.00 0.00 35.03 33.83 1gm1 n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gm1 s ALA 46 N -2.54 -0.92 -0.16 0.58 0.00 -0.97 -4.82 121.76 112.94 1gm1 s ALA 46 Ca -0.28 0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1gm1 s ALA 46 Cb 0.08 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.83 1gm1 s ALA 46 CO 0.69 -0.60 -0.17 -1.50 0.00 0.00 0.00 175.76 174.18 1gm1 s ILE 47 N -3.52 1.79 -0.15 0.00 1.10 -1.26 -1.17 121.20 117.99 1gm1 s ILE 47 Ca 0.01 -0.78 -0.29 0.00 -0.51 0.00 0.00 60.65 59.08 1gm1 s ILE 47 Cb 0.01 -1.64 -0.01 0.00 0.15 0.00 0.00 42.46 40.97 1gm1 s ILE 47 CO -0.10 0.50 1.18 -0.63 -2.11 0.00 0.00 174.94 173.77 1gm1 s ILE 48 N 1.32 4.41 0.24 2.00 -1.09 -0.48 -5.00 121.20 122.60 1gm1 s ILE 48 Ca 0.03 1.70 -0.30 0.00 -2.23 0.00 0.00 60.65 59.85 1gm1 s ILE 48 Cb -0.13 -4.10 -0.10 0.00 -1.58 0.00 0.00 42.46 36.55 1gm1 s ILE 48 CO -0.10 -0.10 1.48 -2.16 -1.23 0.00 0.00 174.94 172.83 1gm1 s PRO 49 N 3.02 4.24 0.00 2.79 0.04 -1.26 -2.08 135.00 141.74 1gm1 s PRO 49 Ca 0.52 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1gm1 s PRO 49 Cb -0.21 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1gm1 s PRO 49 CO 0.15 -0.48 0.00 1.63 0.04 0.00 0.00 177.00 178.34 1gm1 n LYS 50 N 2.53 0.00 -2.72 4.56 5.02 -1.26 -5.09 118.16 121.20 1gm1 n LYS 50 Ca 0.08 0.43 -0.31 0.00 -2.02 0.00 0.00 58.31 56.49 1gm1 n LYS 50 Cb 0.40 -3.53 -0.03 0.00 -0.02 0.00 0.00 35.03 31.85 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 -2.89 1.96 0.12 0.72 0.00 -0.88 -4.97 107.32 101.38 1gm1 s GLY 51 Ca 0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 44.72 44.29 1gm1 s GLY 51 CO 0.00 0.11 1.57 0.00 0.00 0.00 0.00 173.10 174.78 1gm1 h ALA 52 N 1.13 -0.81 -0.28 3.20 0.00 -1.10 -2.79 119.26 118.60 1gm1 h ALA 52 Ca -0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1gm1 h ALA 52 Cb 1.19 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 1gm1 h ALA 52 CO 0.63 -1.04 0.12 0.00 0.00 0.00 0.00 179.25 178.96 1gm1 h ALA 53 N -0.23 0.37 -0.83 0.00 0.00 -0.67 -2.26 119.26 115.63 1gm1 h ALA 53 Ca 0.03 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1gm1 h ALA 53 Cb 0.69 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.26 1gm1 h ALA 53 CO -0.35 -0.04 -0.57 1.49 0.00 0.00 0.00 179.25 179.78 1gm1 h GLU 54 N 0.31 -0.11 -0.19 0.00 4.22 -1.66 -2.94 114.58 114.21 1gm1 h GLU 54 Ca 0.09 0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.42 1gm1 h GLU 54 Cb 0.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1gm1 h GLU 54 CO -0.01 -0.07 -0.42 1.03 -2.18 0.00 0.00 179.01 177.36 1gm1 h SER 55 N -0.11 0.47 -0.28 1.04 0.87 -1.38 -3.35 113.55 110.80 1gm1 h SER 55 Ca 0.15 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1gm1 h SER 55 Cb 0.47 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1gm1 h SER 55 CO -0.84 0.84 0.14 -0.78 -0.53 0.00 0.00 176.83 175.66 1gm1 h ASP 56 N 0.36 0.36 0.00 6.23 3.58 -1.22 -3.47 116.42 122.26 1gm1 h ASP 56 Ca 0.03 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1gm1 h ASP 56 Cb 0.90 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1gm1 h ASP 56 CO 0.08 0.37 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 1gm1 n GLY 57 N -0.89 0.64 0.21 -0.78 0.00 -1.23 -4.91 105.19 98.24 1gm1 n GLY 57 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 2.58 0.51 -5.96 1.61 2.47 -1.91 -3.42 114.38 110.26 1gm1 h ARG 58 Ca 0.00 -0.28 -0.57 0.00 -1.26 0.00 0.00 59.98 57.87 1gm1 h ARG 58 Cb 0.00 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.28 1gm1 h ARG 58 CO 0.00 0.87 0.09 0.42 0.56 0.00 0.00 179.97 181.91 1gm1 s ILE 59 N -4.11 5.05 -0.29 2.04 1.01 -1.26 -4.98 121.20 118.65 1gm1 s ILE 59 Ca -0.07 1.38 -0.13 0.00 0.00 0.00 0.00 60.65 61.83 1gm1 s ILE 59 Cb 0.12 -4.01 0.13 0.00 0.01 0.00 0.00 42.46 38.71 1gm1 s ILE 59 CO 0.82 0.23 0.80 -2.28 0.00 0.00 0.00 174.94 174.52 1gm1 s HIS 60 N 0.98 -0.99 -0.50 3.97 2.46 -1.26 -4.85 115.29 115.10 1gm1 s HIS 60 Ca 0.36 1.79 -0.45 0.00 0.47 0.00 0.00 55.06 57.23 1gm1 s HIS 60 Cb -0.17 0.59 -0.19 0.00 -0.13 0.00 0.00 32.58 32.68 1gm1 s HIS 60 CO 0.16 -0.49 1.98 0.36 -2.47 0.00 0.00 174.74 174.28 1gm1 n LYS 61 N 4.86 0.02 0.00 2.88 0.00 -1.26 -1.87 118.16 122.79 1gm1 n LYS 61 Ca -0.13 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1gm1 n LYS 61 Cb 0.53 -1.51 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 1gm1 n LYS 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1gm1 n GLY 62 N 6.47 1.38 3.88 2.58 0.00 -0.21 -4.99 105.19 114.29 1gm1 n GLY 62 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.75 5.45 -0.11 1.61 -4.77 -0.78 -3.73 116.67 112.59 1gm1 s ASP 63 Ca 0.00 1.15 0.01 0.00 -3.30 0.00 0.00 52.55 50.41 1gm1 s ASP 63 Cb 0.00 -1.95 0.02 0.00 -1.09 0.00 0.00 42.92 39.89 1gm1 s ASP 63 CO 0.00 -1.34 -0.15 -0.60 0.70 0.00 0.00 175.17 173.78 1gm1 s ARG 64 N -5.35 2.16 0.02 2.11 3.52 -0.16 -0.52 118.95 120.74 1gm1 s ARG 64 Ca 0.58 -0.54 -0.22 0.00 -0.13 0.00 0.00 55.73 55.43 1gm1 s ARG 64 Cb -0.11 -1.87 -0.06 0.00 -1.56 0.00 0.00 34.95 31.35 1gm1 s ARG 64 CO 0.52 -0.09 0.64 0.08 -0.81 0.00 0.00 175.30 175.64 1gm1 s VAL 65 N 1.06 4.83 -0.18 7.11 1.01 -0.52 -0.13 120.40 133.58 1gm1 s VAL 65 Ca -0.05 1.35 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 1gm1 s VAL 65 Cb -0.15 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1gm1 s VAL 65 CO -0.03 0.42 -0.19 0.18 0.00 0.00 0.00 175.10 175.48 1gm1 n LEU 66 N 2.62 2.32 -3.72 3.92 4.32 -0.34 -4.44 117.00 121.68 1gm1 n LEU 66 Ca -0.06 0.04 -0.12 0.00 -0.02 0.00 0.00 56.01 55.85 1gm1 n LEU 66 Cb 0.51 -0.60 -0.11 0.00 -1.62 0.00 0.00 43.42 41.59 1gm1 n LEU 66 CO 0.44 0.64 0.01 0.00 -1.22 0.00 0.00 177.39 177.26 1gm1 s ALA 67 N -2.36 -0.89 -0.24 -1.18 0.00 -0.76 -1.15 121.76 115.19 1gm1 s ALA 67 Ca -0.25 1.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 1gm1 s ALA 67 Cb 0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 1gm1 s ALA 67 CO 0.38 -0.23 0.00 0.08 0.00 0.00 0.00 175.76 176.00 1gm1 s VAL 68 N 1.06 3.69 -1.33 0.00 1.01 -0.09 -0.76 120.40 123.98 1gm1 s VAL 68 Ca -0.07 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1gm1 s VAL 68 Cb -0.07 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1gm1 s VAL 68 CO -0.08 0.36 0.00 -3.20 0.00 0.00 0.00 175.10 172.18 1gm1 n ASN 69 N 4.84 -4.47 0.00 3.32 2.85 0.10 -1.18 115.26 120.72 1gm1 n ASN 69 Ca -0.17 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1gm1 n ASN 69 Cb 0.51 -3.40 0.00 0.00 1.24 0.00 0.00 39.78 38.13 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 -1.16 1.42 3.60 8.20 0.00 -1.26 -5.01 105.19 110.98 1gm1 n GLY 70 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.48 5.20 0.39 1.61 1.01 -0.32 -5.05 120.40 120.76 1gm1 s VAL 71 Ca 0.00 0.48 -0.24 0.00 0.00 0.00 0.00 61.98 62.22 1gm1 s VAL 71 Cb 0.00 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1gm1 s VAL 71 CO 0.00 0.18 1.03 -0.55 0.00 0.00 0.00 175.10 175.76 1gm1 s SER 72 N 1.67 6.84 0.00 3.32 0.15 -1.26 -0.91 113.70 123.51 1gm1 s SER 72 Ca 0.13 2.00 0.16 0.00 0.70 0.00 0.00 55.95 58.94 1gm1 s SER 72 Cb -0.16 -2.58 0.48 0.00 -1.71 0.00 0.00 66.02 62.05 1gm1 s SER 72 CO 0.10 -0.43 1.38 0.18 1.20 0.00 0.00 173.24 175.67 1gm1 n LEU 73 N -0.01 2.19 -4.59 3.45 4.77 -0.30 -4.86 117.00 117.65 1gm1 n LEU 73 Ca 0.05 -1.04 -0.42 0.00 -0.03 0.00 0.00 56.01 54.57 1gm1 n LEU 73 Cb 0.50 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1gm1 n LEU 73 CO 0.45 0.52 1.55 -1.61 -1.33 0.00 0.00 177.39 176.97 1gm1 s GLU 74 N -1.53 3.18 0.00 3.23 2.02 -1.26 -1.32 118.70 123.01 1gm1 s GLU 74 Ca 0.30 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1gm1 s GLU 74 Cb 0.16 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 30.15 1gm1 s GLU 74 CO 0.22 -2.05 0.00 0.41 0.02 0.00 0.00 175.26 173.86 1gm1 n GLY 75 N 5.48 0.75 3.78 -1.39 0.00 -1.26 -5.07 105.19 107.48 1gm1 n GLY 75 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.50 2.91 0.87 4.61 0.00 -0.43 -5.03 121.76 122.20 1gm1 s ALA 76 Ca 0.00 0.76 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 1gm1 s ALA 76 Cb 0.00 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 19.94 1gm1 s ALA 76 CO 0.00 -0.48 1.24 0.95 0.00 0.00 0.00 175.76 177.47 1gm1 s THR 77 N -1.74 2.02 0.12 0.00 -4.23 -1.26 -3.90 115.64 106.64 1gm1 s THR 77 Ca 0.65 -0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1gm1 s THR 77 Cb -0.22 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.57 1gm1 s THR 77 CO 0.27 0.00 1.67 -0.74 -0.54 0.00 0.00 174.62 175.28 1gm1 h HIS 78 N -1.30 -0.41 -0.74 3.99 2.76 -1.90 -2.94 115.15 114.60 1gm1 h HIS 78 Ca -0.45 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 57.79 1gm1 h HIS 78 Cb 1.28 0.19 -0.06 0.00 1.55 0.00 0.00 27.41 30.38 1gm1 h HIS 78 CO -0.39 -0.23 0.44 0.87 -1.30 0.00 0.00 177.93 177.32 1gm1 h LYS 79 N -0.24 0.78 -0.78 5.26 6.56 -1.95 -3.09 116.57 123.11 1gm1 h LYS 79 Ca 0.07 -0.05 0.07 0.00 -1.06 0.00 0.00 60.65 59.68 1gm1 h LYS 79 Cb 0.33 -0.18 -0.06 0.00 -0.57 0.00 0.00 32.23 31.75 1gm1 h LYS 79 CO -0.18 0.52 0.46 1.96 -2.06 0.00 0.00 179.45 180.14 1gm1 h GLN 80 N 0.81 0.79 -0.44 3.15 7.50 -1.90 0.16 115.11 125.18 1gm1 h GLN 80 Ca 0.32 -0.05 -0.06 0.00 0.50 0.00 0.00 58.65 59.36 1gm1 h GLN 80 Cb 0.16 -0.18 -0.02 0.00 0.05 0.00 0.00 27.48 27.49 1gm1 h GLN 80 CO -0.17 0.52 0.02 0.00 -1.50 0.00 0.00 178.83 177.70 1gm1 h ALA 81 N 1.41 1.21 -0.11 3.87 0.00 -1.46 -0.42 119.26 123.76 1gm1 h ALA 81 Ca 0.36 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1gm1 h ALA 81 Cb 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1gm1 h ALA 81 CO -0.20 0.52 -0.41 0.28 0.00 0.00 0.00 179.25 179.44 1gm1 h VAL 82 N 0.67 1.38 -0.92 0.00 2.07 -1.26 0.13 116.25 118.32 1gm1 h VAL 82 Ca 0.14 -1.74 0.14 0.00 0.82 0.00 0.00 66.70 66.06 1gm1 h VAL 82 Cb 0.39 2.17 -0.08 0.00 -1.52 0.00 0.00 31.29 32.26 1gm1 h VAL 82 CO 0.01 0.52 0.59 -0.33 0.02 0.00 0.00 177.57 178.38 1gm1 h GLU 83 N 0.05 0.74 0.07 1.57 3.07 -0.62 -0.54 114.58 118.92 1gm1 h GLU 83 Ca -0.02 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1gm1 h GLU 83 Cb 1.04 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1gm1 h GLU 83 CO 0.09 0.49 -0.04 1.15 -1.40 0.00 0.00 179.01 179.30 1gm1 h THR 84 N 0.76 1.20 -0.11 1.13 2.02 -0.94 -3.22 112.91 113.75 1gm1 h THR 84 Ca 0.46 -1.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 1gm1 h THR 84 Cb 0.68 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1gm1 h THR 84 CO -0.23 0.32 -0.16 -0.07 0.37 0.00 0.00 175.52 175.75 1gm1 h LEU 85 N -0.77 0.16 -1.17 2.58 3.38 -0.45 -1.87 115.31 117.17 1gm1 h LEU 85 Ca -0.01 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1gm1 h LEU 85 Cb 0.60 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1gm1 h LEU 85 CO 0.02 0.34 -0.32 0.08 0.09 0.00 0.00 178.44 178.64 1gm1 h ARG 86 N 0.16 0.00 -1.41 1.13 -0.00 -1.23 -3.14 114.38 109.90 1gm1 h ARG 86 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 59.98 59.62 1gm1 h ARG 86 Cb 0.39 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 30.19 1gm1 h ARG 86 CO 0.02 0.32 0.51 -1.71 -0.00 0.00 0.00 179.97 179.12 1gm1 n ASN 87 N -3.64 6.63 -4.92 0.08 5.15 -0.70 -4.93 115.26 112.92 1gm1 n ASN 87 Ca -0.01 -3.20 -0.27 0.00 -0.60 0.00 0.00 54.58 50.50 1gm1 n ASN 87 Cb 0.44 -1.03 -0.03 0.00 -0.53 0.00 0.00 39.78 38.63 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 -2.78 5.10 0.00 -0.44 -4.23 -1.19 -5.01 115.64 107.10 1gm1 s THR 88 Ca 0.38 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1gm1 s THR 88 Cb 0.30 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1gm1 s THR 88 CO -0.00 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1gm1 n GLY 89 N -0.97 1.62 0.21 3.99 0.00 -1.26 -5.03 105.19 103.75 1gm1 n GLY 89 Ca -0.03 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.43 -5.30 1.61 4.15 -1.99 -3.44 115.11 109.71 1gm1 h GLN 90 Ca 0.00 0.03 -0.60 0.00 0.77 0.00 0.00 58.65 58.85 1gm1 h GLN 90 Cb 0.00 0.10 -0.12 0.00 0.21 0.00 0.00 27.48 27.67 1gm1 h GLN 90 CO 0.00 -0.10 -0.43 0.08 -1.93 0.00 0.00 178.83 176.45 1gm1 s VAL 91 N -4.00 5.35 -0.31 2.39 1.01 -1.26 -2.10 120.40 121.48 1gm1 s VAL 91 Ca -0.12 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1gm1 s VAL 91 Cb 0.01 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.90 1gm1 s VAL 91 CO 0.45 0.39 0.01 -0.69 0.00 0.00 0.00 175.10 175.26 1gm1 s VAL 92 N 0.63 3.03 -0.46 2.92 1.01 0.21 -4.96 120.40 122.77 1gm1 s VAL 92 Ca 0.11 -1.41 -0.23 0.00 0.00 0.00 0.00 61.98 60.45 1gm1 s VAL 92 Cb -0.12 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.52 1gm1 s VAL 92 CO 0.02 -0.14 0.78 -1.00 0.00 0.00 0.00 175.10 174.76 1gm1 s HIS 93 N 1.25 2.98 0.13 5.22 3.76 -1.26 -0.66 115.29 126.72 1gm1 s HIS 93 Ca -0.04 0.09 0.02 0.00 -0.15 0.00 0.00 55.06 54.98 1gm1 s HIS 93 Cb -0.20 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.79 1gm1 s HIS 93 CO -0.01 -1.02 0.23 -0.51 -0.85 0.00 0.00 174.74 172.59 1gm1 s LEU 94 N 3.28 4.23 -0.10 0.89 1.43 0.62 0.03 118.68 129.06 1gm1 s LEU 94 Ca 0.28 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1gm1 s LEU 94 Cb -0.13 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.29 1gm1 s LEU 94 CO 0.21 0.08 -0.19 -0.22 0.23 0.00 0.00 176.35 176.47 1gm1 s LEU 95 N -3.02 1.92 0.11 1.79 0.20 0.06 -0.49 118.68 119.25 1gm1 s LEU 95 Ca 0.34 -0.48 -0.04 0.00 0.69 0.00 0.00 54.13 54.64 1gm1 s LEU 95 Cb -0.11 -1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 44.40 1gm1 s LEU 95 CO 0.27 0.09 0.10 -1.48 -0.29 0.00 0.00 176.35 175.04 1gm1 s LEU 96 N 0.63 1.72 -0.07 -0.68 0.05 -0.52 -1.19 118.68 118.62 1gm1 s LEU 96 Ca -0.13 -1.02 0.04 0.00 0.05 0.00 0.00 54.13 53.06 1gm1 s LEU 96 Cb -0.16 0.55 -0.02 0.00 -2.05 0.00 0.00 46.19 44.51 1gm1 s LEU 96 CO 0.04 -0.73 -0.18 -0.70 -0.55 0.00 0.00 176.35 174.22 1gm1 s GLU 97 N -3.98 2.70 0.42 1.48 2.12 0.82 -0.88 118.70 121.38 1gm1 s GLU 97 Ca 0.16 -0.78 -0.22 0.00 0.36 0.00 0.00 54.97 54.49 1gm1 s GLU 97 Cb 0.06 -2.34 -0.10 0.00 0.26 0.00 0.00 34.13 32.01 1gm1 s GLU 97 CO -0.03 0.44 0.99 0.21 -0.54 0.00 0.00 175.26 176.34 1gm1 s LYS 98 N -0.27 4.18 -0.26 4.30 2.47 -0.42 -0.98 119.74 128.75 1gm1 s LYS 98 Ca 0.01 1.31 -0.22 0.00 -1.56 0.00 0.00 55.97 55.51 1gm1 s LYS 98 Cb -0.13 -2.36 -0.01 0.00 -1.46 0.00 0.00 37.83 33.87 1gm1 s LYS 98 CO 0.03 -0.10 0.72 0.20 0.16 0.00 0.00 175.35 176.36 1gm1 s GLY 99 N -1.88 1.78 1.02 5.54 0.00 -1.24 -4.83 107.32 107.71 1gm1 s GLY 99 Ca 0.60 -0.35 -0.17 0.00 0.00 0.00 0.00 44.72 44.80 1gm1 s GLY 99 CO 0.20 1.61 1.29 1.20 0.00 0.00 0.00 173.10 177.40 1gm1 s GLN 100 N 2.68 0.14 0.30 2.90 -0.21 -1.26 -4.92 119.66 119.29 1gm1 s GLN 100 Ca 0.30 -0.38 0.10 0.00 0.02 0.00 0.00 55.36 55.39 1gm1 s GLN 100 Cb -0.15 -1.79 -0.05 0.00 1.00 0.00 0.00 33.01 32.03 1gm1 s GLN 100 CO 0.09 -2.75 -0.00 0.14 -2.12 0.00 0.00 175.29 170.64 1gm1 s VAL 101 N -3.73 3.06 -2.00 1.09 -7.23 -1.26 -5.16 120.40 105.16 1gm1 s VAL 101 Ca 0.74 -1.96 0.14 0.00 -1.81 0.00 0.00 61.98 59.09 1gm1 s VAL 101 Cb -0.04 -2.79 0.39 0.00 0.56 0.00 0.00 36.38 34.50 1gm1 s VAL 101 CO 0.54 -0.31 1.25 -2.65 -0.31 0.00 0.00 175.10 173.62