#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 0.17 0.00 -1.58 0.04 -1.26 -4.39 135.00 127.98 1gm1 s PRO 10 Ca 0.00 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1gm1 s PRO 10 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1gm1 s PRO 10 CO 0.00 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 174.68 1gm1 n GLY 11 N -2.63 0.74 3.86 0.56 0.00 -1.26 -5.05 105.19 101.39 1gm1 n GLY 11 Ca 0.13 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.11 6.50 0.18 1.61 2.15 -1.26 -4.73 116.67 119.01 1gm1 s ASP 12 Ca 0.00 1.45 0.10 0.00 0.43 0.00 0.00 52.55 54.54 1gm1 s ASP 12 Cb 0.00 -2.47 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 1gm1 s ASP 12 CO 0.00 -0.63 -0.22 0.42 -0.17 0.00 0.00 175.17 174.57 1gm1 s THR 13 N -2.73 2.15 -0.07 1.71 -4.23 -1.26 -0.61 115.64 110.60 1gm1 s THR 13 Ca 0.57 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1gm1 s THR 13 Cb -0.10 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.75 1gm1 s THR 13 CO 0.37 -0.18 0.19 -0.36 -0.54 0.00 0.00 174.62 174.10 1gm1 s PHE 14 N -1.78 -0.21 -0.11 3.99 0.08 -0.39 -5.00 117.98 114.55 1gm1 s PHE 14 Ca 0.19 0.51 -0.17 0.00 0.12 0.00 0.00 56.93 57.57 1gm1 s PHE 14 Cb -0.07 0.07 -0.04 0.00 -0.57 0.00 0.00 43.02 42.40 1gm1 s PHE 14 CO 0.09 -0.10 0.44 -1.21 -0.10 0.00 0.00 175.22 174.33 1gm1 s GLU 15 N 0.14 4.29 -0.27 0.44 8.01 -1.26 -1.25 118.70 128.80 1gm1 s GLU 15 Ca -0.00 0.39 -0.00 0.00 0.01 0.00 0.00 54.97 55.36 1gm1 s GLU 15 Cb -0.02 -3.41 0.05 0.00 -4.31 0.00 0.00 34.13 26.44 1gm1 s GLU 15 CO -0.00 0.22 -0.06 0.08 0.01 0.00 0.00 175.26 175.51 1gm1 s VAL 16 N 0.43 2.66 -1.06 2.63 1.01 0.20 -4.99 120.40 121.28 1gm1 s VAL 16 Ca 0.24 -1.35 -0.06 0.00 0.00 0.00 0.00 61.98 60.81 1gm1 s VAL 16 Cb -0.15 -2.47 0.27 0.00 0.00 0.00 0.00 36.38 34.03 1gm1 s VAL 16 CO 0.09 0.03 1.11 -0.62 0.00 0.00 0.00 175.10 175.71 1gm1 n GLU 17 N 4.58 3.51 -3.62 2.72 1.02 -1.26 -0.53 120.64 127.06 1gm1 n GLU 17 Ca -0.15 -4.49 -0.34 0.00 -0.02 0.00 0.00 57.16 52.17 1gm1 n GLU 17 Cb 0.44 -2.51 -0.05 0.00 -0.02 0.00 0.00 31.44 29.30 1gm1 n GLU 17 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1gm1 s LEU 18 N -1.61 4.32 -0.20 -4.62 2.96 -0.79 -4.87 118.68 113.86 1gm1 s LEU 18 Ca 0.31 0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 54.85 1gm1 s LEU 18 Cb -0.06 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 1gm1 s LEU 18 CO -0.06 0.13 0.08 0.00 -1.32 0.00 0.00 176.35 175.18 1gm1 s ALA 19 N -1.49 3.40 0.53 5.97 0.00 -1.26 0.66 121.76 129.56 1gm1 s ALA 19 Ca 0.36 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 1gm1 s ALA 19 Cb -0.13 -2.01 -0.06 0.00 0.00 0.00 0.00 23.12 20.92 1gm1 s ALA 19 CO 0.20 0.01 1.13 -1.59 0.00 0.00 0.00 175.76 175.51 1gm1 s LYS 20 N 0.68 3.44 -0.34 0.00 -2.85 -0.77 -4.87 119.74 115.02 1gm1 s LYS 20 Ca 0.04 1.61 -0.09 0.00 -1.00 0.00 0.00 55.97 56.54 1gm1 s LYS 20 Cb -0.13 -2.06 0.02 0.00 -2.06 0.00 0.00 37.83 33.60 1gm1 s LYS 20 CO 0.02 -0.78 0.15 0.95 0.10 0.00 0.00 175.35 175.79 1gm1 s THR 21 N -1.76 4.25 -1.50 3.79 -4.23 -0.04 -4.47 115.64 111.68 1gm1 s THR 21 Ca 0.71 -0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 60.23 1gm1 s THR 21 Cb -0.24 -3.33 0.07 0.00 1.34 0.00 0.00 72.50 70.34 1gm1 s THR 21 CO 0.27 -0.14 0.97 -0.67 -0.54 0.00 0.00 174.62 174.51 1gm1 n ASP 22 N 4.92 -5.07 0.00 3.99 2.03 -1.26 -1.32 116.55 119.84 1gm1 n ASP 22 Ca -0.13 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1gm1 n ASP 22 Cb 0.46 -4.04 0.00 0.00 -0.72 0.00 0.00 41.12 36.82 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 -1.70 1.75 3.67 0.27 0.00 -1.26 -5.04 105.19 102.89 1gm1 n GLY 23 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.29 4.94 -0.14 1.61 0.15 -0.43 -5.05 113.70 111.48 1gm1 s SER 24 Ca 0.00 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.29 1gm1 s SER 24 Cb 0.00 -1.14 -0.05 0.00 -1.71 0.00 0.00 66.02 63.12 1gm1 s SER 24 CO 0.00 0.17 -0.28 0.18 1.20 0.00 0.00 173.24 174.50 1gm1 n LEU 25 N 0.52 1.61 0.00 3.45 4.77 -1.26 -0.86 117.00 125.22 1gm1 n LEU 25 Ca -0.11 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1gm1 n LEU 25 Cb 0.52 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1gm1 n LEU 25 CO 0.39 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1gm1 n GLY 26 N 1.54 1.50 3.30 -0.72 0.00 -1.26 0.05 105.19 109.60 1gm1 n GLY 26 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.85 1.80 -0.05 -0.61 -4.36 -1.26 -0.98 121.20 113.89 1gm1 s ILE 27 Ca 0.00 -1.60 0.04 0.00 -0.26 0.00 0.00 60.65 58.83 1gm1 s ILE 27 Cb 0.00 -1.64 -0.00 0.00 1.25 0.00 0.00 42.46 42.07 1gm1 s ILE 27 CO 0.00 -0.06 -0.16 -0.44 0.24 0.00 0.00 174.94 174.52 1gm1 s SER 28 N -1.98 2.06 0.30 4.36 0.01 -0.62 -4.90 113.70 112.92 1gm1 s SER 28 Ca 0.08 -0.34 0.11 0.00 1.31 0.00 0.00 55.95 57.11 1gm1 s SER 28 Cb -0.10 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.44 1gm1 s SER 28 CO 0.05 0.13 -0.11 0.68 0.41 0.00 0.00 173.24 174.40 1gm1 s VAL 29 N 0.16 2.67 0.12 3.43 -7.23 -1.26 -0.28 120.40 118.01 1gm1 s VAL 29 Ca -0.06 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 57.90 1gm1 s VAL 29 Cb -0.12 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1gm1 s VAL 29 CO 0.03 -0.33 0.17 1.07 -0.31 0.00 0.00 175.10 175.73 1gm1 n THR 30 N -0.76 0.00 -0.79 5.32 5.66 0.52 -4.65 114.28 119.57 1gm1 n THR 30 Ca -0.05 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 1gm1 n THR 30 Cb 0.61 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.77 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 -0.20 -0.51 0.00 1.09 0.00 -1.26 -1.23 105.19 103.07 1gm1 n GLY 31 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 1.04 0.34 -0.02 0.00 0.48 -4.07 105.19 102.97 1gm1 n GLY 32 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1gm1 n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gm1 h VAL 33 N 0.00 1.19 0.00 1.61 2.07 -1.75 -3.01 116.25 116.36 1gm1 h VAL 33 Ca 0.00 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1gm1 h VAL 33 Cb 0.00 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1gm1 h VAL 33 CO 0.00 0.19 -0.19 -0.55 0.02 0.00 0.00 177.57 177.04 1gm1 h ASN 34 N 0.98 0.00 -2.76 0.57 -1.07 -1.86 -3.45 115.58 107.99 1gm1 h ASN 34 Ca 0.26 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 55.98 1gm1 h ASN 34 Cb -0.09 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.10 1gm1 h ASN 34 CO -0.05 0.19 -0.43 -0.89 0.07 0.00 0.00 177.43 176.31 1gm1 s THR 35 N -3.48 5.40 -1.45 6.14 2.01 -1.14 -4.99 115.64 118.13 1gm1 s THR 35 Ca 0.02 0.22 -0.10 0.00 0.31 0.00 0.00 61.69 62.14 1gm1 s THR 35 Cb 0.09 -3.49 -0.07 0.00 0.01 0.00 0.00 72.50 69.03 1gm1 s THR 35 CO 0.64 0.52 2.71 -1.20 -0.69 0.00 0.00 174.62 176.60 1gm1 n SER 36 N 1.62 7.48 -1.22 3.53 7.64 -1.26 -4.45 113.62 126.95 1gm1 n SER 36 Ca -0.16 -2.54 0.12 0.00 1.01 0.00 0.00 58.87 57.29 1gm1 n SER 36 Cb 0.54 -1.46 0.26 0.00 -1.01 0.00 0.00 64.21 62.53 1gm1 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1gm1 n VAL 37 N 3.88 0.71 -0.58 0.44 0.24 -1.26 -5.05 118.33 116.72 1gm1 n VAL 37 Ca 0.69 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1gm1 n VAL 37 Cb 0.23 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 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 1.53 -0.38 0.00 7.34 0.63 -1.26 -4.81 116.66 119.71 1gm1 n ARG 38 Ca 0.21 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 1gm1 n ARG 38 Cb 0.61 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 33.23 1gm1 n ARG 38 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1gm1 n HIS 39 N 0.09 0.00 0.00 -0.14 -0.00 -1.26 -4.36 115.22 109.55 1gm1 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1gm1 n HIS 39 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1gm1 n GLY 40 N 0.00 1.24 3.43 1.57 0.00 -1.26 -4.77 105.19 105.39 1gm1 n GLY 40 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.46 -0.18 -0.02 0.00 -1.25 -4.76 107.32 100.64 1gm1 s GLY 41 Ca 0.00 0.88 -0.15 0.00 0.00 0.00 0.00 44.72 45.45 1gm1 s GLY 41 CO 0.00 0.56 0.34 -0.42 0.00 0.00 0.00 173.10 173.59 1gm1 s ILE 42 N -1.77 5.26 0.16 0.90 -1.09 -1.26 -0.39 121.20 123.01 1gm1 s ILE 42 Ca -0.09 0.62 0.08 0.00 -2.23 0.00 0.00 60.65 59.04 1gm1 s ILE 42 Cb -0.01 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1gm1 s ILE 42 CO 0.04 0.32 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.59 1gm1 s TYR 43 N 0.87 1.76 -0.13 3.97 2.02 -0.37 -0.61 117.35 124.87 1gm1 s TYR 43 Ca 0.18 -0.49 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 1gm1 s TYR 43 Cb -0.14 -0.88 -0.02 0.00 -0.40 0.00 0.00 41.96 40.53 1gm1 s TYR 43 CO 0.06 0.31 1.21 0.08 -1.57 0.00 0.00 175.55 175.64 1gm1 s VAL 44 N -2.14 4.33 -0.11 0.71 1.01 0.06 -0.36 120.40 123.90 1gm1 s VAL 44 Ca 0.15 1.63 -0.12 0.00 0.00 0.00 0.00 61.98 63.64 1gm1 s VAL 44 Cb -0.05 -4.05 -0.27 0.00 0.00 0.00 0.00 36.38 32.01 1gm1 s VAL 44 CO 0.06 -0.08 0.47 0.50 0.00 0.00 0.00 175.10 176.05 1gm1 h LYS 45 N 7.80 0.26 -3.17 2.72 3.64 -0.91 -2.32 116.57 124.59 1gm1 h LYS 45 Ca -0.29 -0.45 -0.03 0.00 -1.27 0.00 0.00 60.65 58.61 1gm1 h LYS 45 Cb 1.12 0.17 -0.12 0.00 -0.41 0.00 0.00 32.23 32.99 1gm1 h LYS 45 CO 0.93 1.22 0.09 0.00 -2.27 0.00 0.00 179.45 179.41 1gm1 s ALA 46 N -2.52 -1.31 -0.17 5.00 0.00 -0.93 -4.80 121.76 117.03 1gm1 s ALA 46 Ca -0.21 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1gm1 s ALA 46 Cb 0.06 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1gm1 s ALA 46 CO 0.77 -0.71 -0.19 -1.50 0.00 0.00 0.00 175.76 174.13 1gm1 s ILE 47 N -3.77 2.20 -0.21 0.00 1.10 -1.26 -1.59 121.20 117.66 1gm1 s ILE 47 Ca 0.02 -0.90 -0.29 0.00 -0.51 0.00 0.00 60.65 58.96 1gm1 s ILE 47 Cb 0.00 -1.92 -0.00 0.00 0.15 0.00 0.00 42.46 40.69 1gm1 s ILE 47 CO -0.13 0.53 1.17 -0.63 -2.11 0.00 0.00 174.94 173.77 1gm1 s ILE 48 N 1.18 4.44 0.09 2.00 1.09 -0.16 -4.98 121.20 124.86 1gm1 s ILE 48 Ca 0.02 1.73 -0.31 0.00 -1.10 0.00 0.00 60.65 60.99 1gm1 s ILE 48 Cb -0.14 -4.16 -0.10 0.00 -1.06 0.00 0.00 42.46 37.00 1gm1 s ILE 48 CO -0.09 -0.20 1.90 -2.65 -0.10 0.00 0.00 174.94 173.79 1gm1 n PRO 49 N 6.57 2.84 -1.51 2.79 -0.02 -1.26 -1.08 135.00 143.33 1gm1 n PRO 49 Ca 0.13 1.04 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 1gm1 n PRO 49 Cb 0.46 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 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 6.38 0.00 -2.63 -0.52 5.02 -1.26 -5.09 118.16 120.06 1gm1 n LYS 50 Ca 0.19 0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 56.34 1gm1 n LYS 50 Cb 0.39 -3.35 -0.01 0.00 -0.02 0.00 0.00 35.03 32.03 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 -2.91 1.73 0.11 0.72 0.00 -0.25 -4.99 107.32 101.74 1gm1 s GLY 51 Ca 0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 44.72 44.10 1gm1 s GLY 51 CO 0.00 -0.10 1.57 0.00 0.00 0.00 0.00 173.10 174.57 1gm1 h ALA 52 N 0.63 -0.86 -0.74 3.20 0.00 -1.10 -1.68 119.26 118.71 1gm1 h ALA 52 Ca -0.47 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1gm1 h ALA 52 Cb 1.19 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 1gm1 h ALA 52 CO 0.63 -1.06 0.22 0.00 0.00 0.00 0.00 179.25 179.04 1gm1 h ALA 53 N -0.33 0.97 0.20 0.00 0.00 -0.68 -2.44 119.26 116.99 1gm1 h ALA 53 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1gm1 h ALA 53 Cb 0.72 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1gm1 h ALA 53 CO -0.28 0.66 -0.52 1.49 0.00 0.00 0.00 179.25 180.60 1gm1 h GLU 54 N 1.10 -0.78 0.00 0.00 4.22 -1.69 -3.33 114.58 114.11 1gm1 h GLU 54 Ca 0.24 0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.68 1gm1 h GLU 54 Cb 0.32 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1gm1 h GLU 54 CO -0.01 -0.52 -0.23 1.03 -2.18 0.00 0.00 179.01 177.11 1gm1 h SER 55 N -0.81 0.00 -0.24 1.04 0.87 -1.01 -3.25 113.55 110.16 1gm1 h SER 55 Ca -0.02 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1gm1 h SER 55 Cb 0.78 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 1gm1 h SER 55 CO -0.24 0.23 -0.38 -0.78 -0.53 0.00 0.00 176.83 175.13 1gm1 h ASP 56 N 0.00 -1.26 0.00 6.23 3.58 -1.55 -3.47 116.42 119.94 1gm1 h ASP 56 Ca -0.00 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1gm1 h ASP 56 Cb 0.62 0.51 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1gm1 h ASP 56 CO 0.03 -0.29 0.00 0.61 -2.88 0.00 0.00 179.24 176.71 1gm1 n GLY 57 N -1.27 0.92 0.08 -0.78 0.00 -1.23 -4.97 105.19 97.95 1gm1 n GLY 57 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 1.31 0.00 -5.46 1.61 3.08 -1.88 -3.47 114.38 109.58 1gm1 h ARG 58 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1gm1 h ARG 58 Cb 0.00 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.85 1gm1 h ARG 58 CO 0.00 0.61 -0.66 0.42 -1.07 0.00 0.00 179.97 179.28 1gm1 s ILE 59 N -2.73 3.98 0.23 2.04 1.01 -1.26 -4.96 121.20 119.51 1gm1 s ILE 59 Ca -0.02 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.34 1gm1 s ILE 59 Cb 0.09 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1gm1 s ILE 59 CO 0.81 0.51 0.23 0.00 0.00 0.00 0.00 174.94 176.50 1gm1 n HIS 60 N 3.24 -0.70 -2.09 3.97 1.44 -1.26 -4.81 115.22 115.02 1gm1 n HIS 60 Ca -0.17 -1.86 -0.42 0.00 -2.01 0.00 0.00 57.72 53.25 1gm1 n HIS 60 Cb 0.53 0.25 -0.03 0.00 0.12 0.00 0.00 29.99 30.86 1gm1 n HIS 60 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1gm1 s LYS 61 N -2.84 4.20 0.00 -1.40 2.20 -1.26 -2.42 119.74 118.23 1gm1 s LYS 61 Ca 0.26 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 1gm1 s LYS 61 Cb 0.01 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1gm1 s LYS 61 CO 0.18 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 1gm1 n GLY 62 N 3.98 0.58 3.81 5.54 0.00 -0.87 -4.80 105.19 113.42 1gm1 n GLY 62 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.14 7.08 -0.13 1.61 1.01 -1.01 -4.19 116.67 118.90 1gm1 s ASP 63 Ca 0.00 1.72 -0.12 0.00 0.71 0.00 0.00 52.55 54.86 1gm1 s ASP 63 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1gm1 s ASP 63 CO 0.00 -0.24 0.26 -0.60 0.21 0.00 0.00 175.17 174.80 1gm1 s ARG 64 N -2.73 3.99 -0.11 8.23 3.52 -0.79 -0.76 118.95 130.29 1gm1 s ARG 64 Ca 0.57 0.06 -0.23 0.00 -0.13 0.00 0.00 55.73 55.99 1gm1 s ARG 64 Cb -0.13 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1gm1 s ARG 64 CO 0.17 0.46 0.72 0.08 -0.81 0.00 0.00 175.30 175.93 1gm1 s VAL 65 N -0.20 5.00 -0.22 7.11 1.01 0.22 -0.79 120.40 132.52 1gm1 s VAL 65 Ca 0.16 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.53 1gm1 s VAL 65 Cb -0.13 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.08 1gm1 s VAL 65 CO 0.05 0.17 -0.25 0.18 0.00 0.00 0.00 175.10 175.25 1gm1 n LEU 66 N 4.33 2.17 -3.70 3.92 4.32 -0.43 -4.42 117.00 123.20 1gm1 n LEU 66 Ca 0.00 0.12 -0.11 0.00 -0.02 0.00 0.00 56.01 56.00 1gm1 n LEU 66 Cb 0.50 -0.71 -0.11 0.00 -1.62 0.00 0.00 43.42 41.48 1gm1 n LEU 66 CO 0.47 0.64 -0.01 0.00 -1.22 0.00 0.00 177.39 177.27 1gm1 s ALA 67 N -2.42 -0.90 -0.20 -1.18 0.00 -0.69 -1.09 121.76 115.27 1gm1 s ALA 67 Ca -0.31 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 1gm1 s ALA 67 Cb 0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1gm1 s ALA 67 CO 0.44 -0.31 -0.00 0.08 0.00 0.00 0.00 175.76 175.97 1gm1 s VAL 68 N 1.51 3.89 -1.27 0.00 1.01 -0.42 -0.49 120.40 124.64 1gm1 s VAL 68 Ca -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1gm1 s VAL 68 Cb -0.09 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1gm1 s VAL 68 CO -0.11 0.43 0.00 -3.20 0.00 0.00 0.00 175.10 172.21 1gm1 n ASN 69 N 4.32 -4.41 0.00 3.32 4.05 0.40 -1.25 115.26 121.69 1gm1 n ASN 69 Ca -0.17 0.06 0.00 0.00 0.45 0.00 0.00 54.58 54.91 1gm1 n ASN 69 Cb 0.52 -3.49 0.00 0.00 1.23 0.00 0.00 39.78 38.04 1gm1 n ASN 69 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1gm1 n GLY 70 N -1.06 1.97 3.56 8.20 0.00 -1.26 -5.02 105.19 111.58 1gm1 n GLY 70 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.38 5.14 0.29 1.61 1.01 -0.38 -5.05 120.40 120.64 1gm1 s VAL 71 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1gm1 s VAL 71 Cb 0.00 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1gm1 s VAL 71 CO 0.00 -0.07 1.07 -0.94 0.00 0.00 0.00 175.10 175.15 1gm1 s SER 72 N 1.72 7.26 -0.45 3.32 1.04 -1.26 -1.30 113.70 124.03 1gm1 s SER 72 Ca 0.14 2.19 -0.05 0.00 0.48 0.00 0.00 55.95 58.71 1gm1 s SER 72 Cb -0.16 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.34 1gm1 s SER 72 CO 0.12 -0.14 2.92 0.18 0.98 0.00 0.00 173.24 177.30 1gm1 n LEU 73 N 1.06 6.38 -4.69 2.42 4.77 -0.25 -4.94 117.00 121.76 1gm1 n LEU 73 Ca -0.00 -3.95 -0.42 0.00 -0.03 0.00 0.00 56.01 51.60 1gm1 n LEU 73 Cb 0.46 -1.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.23 1gm1 n LEU 73 CO 0.52 1.76 1.02 -1.61 -1.33 0.00 0.00 177.39 177.75 1gm1 s GLU 74 N -1.05 4.32 -0.08 3.23 0.41 -1.26 -3.12 118.70 121.15 1gm1 s GLU 74 Ca 0.60 1.78 0.00 0.00 -0.41 0.00 0.00 54.97 56.95 1gm1 s GLU 74 Cb 0.35 -3.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 1gm1 s GLU 74 CO -0.17 -0.50 0.00 0.41 -0.49 0.00 0.00 175.26 174.51 1gm1 n GLY 75 N 3.48 0.29 3.76 -1.39 0.00 -1.26 -4.96 105.19 105.11 1gm1 n GLY 75 Ca 0.12 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.50 3.45 0.64 4.61 0.00 -1.18 -4.75 121.76 123.02 1gm1 s ALA 76 Ca 0.00 1.05 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 1gm1 s ALA 76 Cb 0.00 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.80 1gm1 s ALA 76 CO 0.00 -0.37 0.90 0.95 0.00 0.00 0.00 175.76 177.24 1gm1 s THR 77 N -1.02 2.39 0.11 0.00 -4.23 -1.26 -2.30 115.64 109.33 1gm1 s THR 77 Ca 0.47 -0.58 -0.21 0.00 -1.18 0.00 0.00 61.69 60.19 1gm1 s THR 77 Cb -0.35 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 1gm1 s THR 77 CO 0.45 0.00 1.74 -0.74 -0.54 0.00 0.00 174.62 175.53 1gm1 h HIS 78 N -0.27 0.05 -0.98 3.99 2.76 -1.91 -2.71 115.15 116.08 1gm1 h HIS 78 Ca -0.40 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 57.86 1gm1 h HIS 78 Cb 1.29 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 30.17 1gm1 h HIS 78 CO 0.12 0.02 0.63 0.87 -1.30 0.00 0.00 177.93 178.27 1gm1 h LYS 79 N 0.08 1.05 0.13 5.26 6.56 -1.95 -2.39 116.57 125.30 1gm1 h LYS 79 Ca 0.05 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.59 1gm1 h LYS 79 Cb 0.03 -0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 31.43 1gm1 h LYS 79 CO -0.06 0.70 -0.23 0.37 -2.06 0.00 0.00 179.45 178.17 1gm1 h GLN 80 N 1.09 -0.41 -0.54 3.15 -0.00 -1.87 -0.76 115.11 115.76 1gm1 h GLN 80 Ca 0.45 0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 59.06 1gm1 h GLN 80 Cb 0.28 0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.83 1gm1 h GLN 80 CO -0.21 -0.28 0.08 0.00 0.00 0.00 0.00 178.83 178.43 1gm1 h ALA 81 N 0.34 1.12 -0.14 3.38 0.00 -1.40 -0.37 119.26 122.19 1gm1 h ALA 81 Ca 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1gm1 h ALA 81 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1gm1 h ALA 81 CO -0.12 0.58 0.05 0.28 0.00 0.00 0.00 179.25 180.04 1gm1 h VAL 82 N 0.82 1.17 -0.70 0.00 2.07 -1.22 0.18 116.25 118.56 1gm1 h VAL 82 Ca 0.17 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1gm1 h VAL 82 Cb 0.37 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1gm1 h VAL 82 CO 0.01 0.15 0.28 -0.33 0.02 0.00 0.00 177.57 177.70 1gm1 h GLU 83 N 0.06 1.05 -0.37 1.57 5.08 -1.03 -1.46 114.58 119.48 1gm1 h GLU 83 Ca 0.05 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1gm1 h GLU 83 Cb 0.20 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1gm1 h GLU 83 CO -0.00 0.87 0.21 1.15 -1.00 0.00 0.00 179.01 180.23 1gm1 h THR 84 N 1.00 1.14 -0.01 1.13 2.02 -0.82 0.27 112.91 117.63 1gm1 h THR 84 Ca 0.23 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 1gm1 h THR 84 Cb 0.21 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1gm1 h THR 84 CO -0.02 0.14 -0.53 -0.07 0.37 0.00 0.00 175.52 175.42 1gm1 h LEU 85 N 0.47 0.04 -0.39 2.58 3.38 -0.58 -2.71 115.31 118.10 1gm1 h LEU 85 Ca 0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1gm1 h LEU 85 Cb 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1gm1 h LEU 85 CO -0.02 0.56 0.14 0.03 0.09 0.00 0.00 178.44 179.24 1gm1 h ARG 86 N 0.03 0.59 -2.09 1.13 2.47 -1.06 -3.25 114.38 112.20 1gm1 h ARG 86 Ca -0.00 -0.12 -0.15 0.00 -1.26 0.00 0.00 59.98 58.45 1gm1 h ARG 86 Cb 0.95 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 29.12 1gm1 h ARG 86 CO 0.07 0.58 -0.27 -1.71 0.56 0.00 0.00 179.97 179.20 1gm1 n ASN 87 N -4.64 4.73 -4.80 7.04 5.15 0.06 -4.87 115.26 117.95 1gm1 n ASN 87 Ca -0.00 -2.37 -0.25 0.00 -0.60 0.00 0.00 54.58 51.35 1gm1 n ASN 87 Cb 0.16 -1.25 -0.05 0.00 -0.53 0.00 0.00 39.78 38.11 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 1.08 4.43 0.00 -0.44 -4.23 -1.23 -4.93 115.64 110.32 1gm1 s THR 88 Ca 0.53 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1gm1 s THR 88 Cb 0.25 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1gm1 s THR 88 CO 0.00 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 1gm1 n GLY 89 N -0.51 -0.17 0.10 3.99 0.00 -1.26 -5.01 105.19 102.32 1gm1 n GLY 89 Ca -0.08 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 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 0.21 -5.55 1.61 4.15 -1.97 -3.41 115.11 110.15 1gm1 h GLN 90 Ca 0.00 -0.11 -0.60 0.00 0.77 0.00 0.00 58.65 58.71 1gm1 h GLN 90 Cb 0.00 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.59 1gm1 h GLN 90 CO 0.00 0.64 -0.01 0.08 -1.93 0.00 0.00 178.83 177.61 1gm1 s VAL 91 N -4.28 5.09 -0.37 2.39 1.01 -1.26 -1.86 120.40 121.12 1gm1 s VAL 91 Ca -0.15 0.99 -0.03 0.00 0.00 0.00 0.00 61.98 62.79 1gm1 s VAL 91 Cb 0.04 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.65 1gm1 s VAL 91 CO 0.72 0.16 0.14 -0.69 0.00 0.00 0.00 175.10 175.43 1gm1 s VAL 92 N 1.72 3.26 -0.62 2.92 1.01 0.21 -4.97 120.40 123.93 1gm1 s VAL 92 Ca 0.25 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.22 1gm1 s VAL 92 Cb -0.15 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.19 1gm1 s VAL 92 CO 0.10 -0.49 0.89 -2.28 0.00 0.00 0.00 175.10 173.32 1gm1 s HIS 93 N 1.20 2.77 0.28 5.22 2.46 -1.26 -1.89 115.29 124.07 1gm1 s HIS 93 Ca 0.04 -0.51 0.06 0.00 0.47 0.00 0.00 55.06 55.13 1gm1 s HIS 93 Cb -0.22 -4.15 -0.03 0.00 -0.13 0.00 0.00 32.58 28.06 1gm1 s HIS 93 CO -0.03 -1.49 0.32 -0.51 -2.47 0.00 0.00 174.74 170.56 1gm1 s LEU 94 N 3.73 3.95 -0.05 8.88 1.43 0.31 -0.45 118.68 136.48 1gm1 s LEU 94 Ca 0.22 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1gm1 s LEU 94 Cb -0.17 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.50 1gm1 s LEU 94 CO 0.11 -0.19 -0.12 -0.22 0.23 0.00 0.00 176.35 176.16 1gm1 s LEU 95 N -3.98 1.72 0.14 1.79 0.20 0.36 -0.63 118.68 118.28 1gm1 s LEU 95 Ca 0.37 -0.28 0.00 0.00 0.69 0.00 0.00 54.13 54.91 1gm1 s LEU 95 Cb -0.08 -0.79 -0.04 0.00 -0.43 0.00 0.00 46.19 44.85 1gm1 s LEU 95 CO 0.28 0.06 0.03 -1.48 -0.29 0.00 0.00 176.35 174.95 1gm1 s LEU 96 N 0.45 1.95 -0.01 -0.68 -0.00 -0.38 -1.32 118.68 118.70 1gm1 s LEU 96 Ca -0.10 -1.18 0.04 0.00 -0.00 0.00 0.00 54.13 52.89 1gm1 s LEU 96 Cb -0.13 0.16 -0.03 0.00 -0.00 0.00 0.00 46.19 46.18 1gm1 s LEU 96 CO 0.03 -0.66 -0.13 -0.70 -0.00 0.00 0.00 176.35 174.88 1gm1 s GLU 97 N -3.99 2.40 0.12 1.48 2.12 0.03 -1.26 118.70 119.59 1gm1 s GLU 97 Ca 0.23 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.48 1gm1 s GLU 97 Cb 0.07 -2.36 -0.06 0.00 0.26 0.00 0.00 34.13 32.04 1gm1 s GLU 97 CO 0.02 0.60 1.13 0.21 -0.54 0.00 0.00 175.26 176.67 1gm1 s LYS 98 N -1.10 4.53 0.09 4.30 2.47 0.21 -1.89 119.74 128.35 1gm1 s LYS 98 Ca 0.14 1.72 -0.34 0.00 -1.56 0.00 0.00 55.97 55.92 1gm1 s LYS 98 Cb -0.11 -3.32 -0.14 0.00 -1.46 0.00 0.00 37.83 32.81 1gm1 s LYS 98 CO 0.04 -0.06 1.61 0.41 0.16 0.00 0.00 175.35 177.50 1gm1 n GLY 99 N 2.56 1.11 0.23 5.54 0.00 -1.26 -4.30 105.19 109.07 1gm1 n GLY 99 Ca 0.05 0.71 -0.17 0.00 0.00 0.00 0.00 46.02 46.61 1gm1 n GLY 99 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1gm1 h GLN 100 N 6.43 0.81 -3.36 1.61 3.07 -1.94 -3.44 115.11 118.30 1gm1 h GLN 100 Ca -0.46 -0.65 -0.30 0.00 0.09 0.00 0.00 58.65 57.33 1gm1 h GLN 100 Cb 1.27 0.13 -0.35 0.00 0.08 0.00 0.00 27.48 28.61 1gm1 h GLN 100 CO 0.89 1.26 -0.69 0.54 0.09 0.00 0.00 178.83 180.91 1gm1 s VAL 101 N -3.79 -0.09 -2.00 1.86 0.11 -1.26 -5.06 120.40 110.16 1gm1 s VAL 101 Ca -0.10 0.28 0.19 0.00 -2.93 0.00 0.00 61.98 59.42 1gm1 s VAL 101 Cb 0.09 -0.16 0.54 0.00 -1.53 0.00 0.00 36.38 35.32 1gm1 s VAL 101 CO 0.91 0.12 1.53 -2.65 -3.33 0.00 0.00 175.10 171.67