#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 -1.54 -1.17 -1.58 -0.02 -1.26 -4.79 135.00 124.64 1gm1 n PRO 10 Ca 0.00 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.94 1gm1 n PRO 10 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 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 0.46 0.98 3.91 -1.23 0.00 -0.98 -4.99 105.19 103.34 1gm1 n GLY 11 Ca 0.05 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 6.42 0.40 1.61 2.15 -1.26 -4.79 116.67 118.74 1gm1 s ASP 12 Ca 0.00 0.43 -0.02 0.00 0.43 0.00 0.00 52.55 53.38 1gm1 s ASP 12 Cb 0.00 -2.02 -0.04 0.00 -0.30 0.00 0.00 42.92 40.56 1gm1 s ASP 12 CO 0.00 0.12 0.66 0.42 -0.17 0.00 0.00 175.17 176.20 1gm1 s THR 13 N -1.56 5.01 -0.06 1.71 -4.23 -1.26 -1.08 115.64 114.17 1gm1 s THR 13 Ca 0.37 -0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.70 1gm1 s THR 13 Cb -0.13 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 69.88 1gm1 s THR 13 CO 0.26 -0.68 0.16 -0.36 -0.54 0.00 0.00 174.62 173.46 1gm1 s PHE 14 N -2.50 -0.17 -0.20 3.99 0.08 -0.19 -4.95 117.98 114.04 1gm1 s PHE 14 Ca 0.44 0.43 -0.22 0.00 0.12 0.00 0.00 56.93 57.70 1gm1 s PHE 14 Cb -0.10 0.05 -0.02 0.00 -0.57 0.00 0.00 43.02 42.38 1gm1 s PHE 14 CO 0.40 -0.09 0.69 -1.21 -0.10 0.00 0.00 175.22 174.91 1gm1 s GLU 15 N 0.20 4.21 -0.77 0.44 2.02 -1.26 -0.98 118.70 122.56 1gm1 s GLU 15 Ca -0.01 0.73 -0.07 0.00 0.02 0.00 0.00 54.97 55.64 1gm1 s GLU 15 Cb -0.02 -3.59 0.20 0.00 0.10 0.00 0.00 34.13 30.81 1gm1 s GLU 15 CO -0.01 -0.31 0.65 0.08 0.02 0.00 0.00 175.26 175.69 1gm1 s VAL 16 N 2.13 4.60 -0.89 2.63 1.01 -0.32 -4.99 120.40 124.58 1gm1 s VAL 16 Ca 0.31 -2.97 -0.15 0.00 0.00 0.00 0.00 61.98 59.17 1gm1 s VAL 16 Cb -0.16 -3.90 0.19 0.00 0.00 0.00 0.00 36.38 32.52 1gm1 s VAL 16 CO 0.10 -0.98 0.92 -1.61 0.00 0.00 0.00 175.10 173.53 1gm1 s GLU 17 N -0.27 3.65 0.12 2.72 2.02 -1.26 -0.68 118.70 125.01 1gm1 s GLU 17 Ca 0.20 -2.30 0.08 0.00 0.02 0.00 0.00 54.97 52.97 1gm1 s GLU 17 Cb -0.14 -4.60 -0.04 0.00 0.10 0.00 0.00 34.13 29.45 1gm1 s GLU 17 CO -0.07 -1.45 -0.20 -1.17 0.02 0.00 0.00 175.26 172.40 1gm1 s LEU 18 N 0.88 2.34 0.14 1.80 2.96 -0.81 -4.97 118.68 121.02 1gm1 s LEU 18 Ca 0.24 -0.74 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1gm1 s LEU 18 Cb -0.08 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1gm1 s LEU 18 CO -0.09 0.02 0.19 0.00 -1.32 0.00 0.00 176.35 175.15 1gm1 s ALA 19 N -1.47 3.76 0.72 5.97 0.00 -1.26 0.06 121.76 129.54 1gm1 s ALA 19 Ca 0.09 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 1gm1 s ALA 19 Cb -0.09 -1.57 0.03 0.00 0.00 0.00 0.00 23.12 21.50 1gm1 s ALA 19 CO 0.05 0.58 1.13 0.15 0.00 0.00 0.00 175.76 177.67 1gm1 s LYS 20 N -2.99 2.37 -0.25 0.00 1.02 -0.79 -4.85 119.74 114.26 1gm1 s LYS 20 Ca 0.32 1.45 -0.01 0.00 0.02 0.00 0.00 55.97 57.75 1gm1 s LYS 20 Cb -0.11 -1.89 0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1gm1 s LYS 20 CO 0.25 -1.59 -0.07 0.95 -0.92 0.00 0.00 175.35 173.97 1gm1 s THR 21 N -2.40 2.72 -1.32 2.17 -4.23 -0.49 -4.79 115.64 107.31 1gm1 s THR 21 Ca 0.67 -1.13 -0.24 0.00 -1.18 0.00 0.00 61.69 59.81 1gm1 s THR 21 Cb -0.22 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.24 1gm1 s THR 21 CO 0.47 0.17 0.48 -0.67 -0.54 0.00 0.00 174.62 174.53 1gm1 n ASP 22 N 4.63 -2.61 0.00 3.99 2.03 -1.26 -1.02 116.55 122.31 1gm1 n ASP 22 Ca -0.16 -1.29 0.00 0.00 0.52 0.00 0.00 54.79 53.86 1gm1 n ASP 22 Cb 0.46 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 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 -2.24 2.69 3.82 0.27 0.00 -1.26 -5.01 105.19 103.46 1gm1 n GLY 23 Ca -0.18 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 0.42 5.98 -0.15 1.61 0.15 -0.19 -4.99 113.70 116.53 1gm1 s SER 24 Ca 0.00 0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 1gm1 s SER 24 Cb 0.00 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1gm1 s SER 24 CO 0.00 0.34 -0.24 0.18 1.20 0.00 0.00 173.24 174.72 1gm1 n LEU 25 N 1.58 1.76 0.00 3.45 4.77 -1.26 -1.40 117.00 125.90 1gm1 n LEU 25 Ca -0.16 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1gm1 n LEU 25 Cb 0.54 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1gm1 n LEU 25 CO 0.35 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1gm1 n GLY 26 N 1.55 1.36 3.19 -0.72 0.00 -1.26 0.09 105.19 109.41 1gm1 n GLY 26 Ca -0.10 0.00 -0.33 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 -2.00 2.26 -0.24 -0.61 -4.36 -1.26 -1.03 121.20 113.96 1gm1 s ILE 27 Ca 0.00 -0.90 -0.10 0.00 -0.26 0.00 0.00 60.65 59.38 1gm1 s ILE 27 Cb 0.00 -1.93 -0.05 0.00 1.25 0.00 0.00 42.46 41.73 1gm1 s ILE 27 CO 0.00 0.54 0.16 -0.44 0.24 0.00 0.00 174.94 175.43 1gm1 s SER 28 N 0.89 6.11 0.42 4.36 0.01 -0.27 -4.98 113.70 120.23 1gm1 s SER 28 Ca -0.05 0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.40 1gm1 s SER 28 Cb -0.15 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1gm1 s SER 28 CO -0.03 0.07 0.36 0.68 0.41 0.00 0.00 173.24 174.74 1gm1 s VAL 29 N 1.03 2.62 0.36 3.43 -7.23 -1.26 -0.24 120.40 119.10 1gm1 s VAL 29 Ca 0.07 -1.37 -0.08 0.00 -1.81 0.00 0.00 61.98 58.79 1gm1 s VAL 29 Cb -0.13 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.84 1gm1 s VAL 29 CO 0.04 0.00 0.62 0.28 -0.31 0.00 0.00 175.10 175.73 1gm1 s THR 30 N -2.49 0.00 0.00 5.32 -1.32 0.29 -4.58 115.64 112.86 1gm1 s THR 30 Ca 0.47 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1gm1 s THR 30 Cb -0.03 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 1gm1 s THR 30 CO 0.27 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 1gm1 n GLY 31 N -0.55 1.07 0.00 6.08 0.00 -1.26 -0.94 105.19 109.59 1gm1 n GLY 31 Ca -0.03 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 2.99 0.17 -0.02 0.00 0.58 -4.30 105.19 104.61 1gm1 n GLY 32 Ca 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 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 1.38 -0.57 1.61 3.04 -1.28 -3.18 116.25 117.25 1gm1 h VAL 33 Ca 0.00 -1.98 0.00 0.00 -1.01 0.00 0.00 66.70 63.71 1gm1 h VAL 33 Cb 0.00 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1gm1 h VAL 33 CO 0.00 0.59 0.00 0.59 -1.01 0.00 0.00 177.57 177.74 1gm1 n ASN 34 N -3.88 3.53 -2.05 3.17 4.13 -1.26 -4.78 115.26 114.13 1gm1 n ASN 34 Ca -0.03 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.25 1gm1 n ASN 34 Cb 0.62 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 1gm1 n ASN 34 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1gm1 n THR 35 N 1.46 0.00 0.09 3.41 -1.04 -1.20 -4.97 114.28 112.03 1gm1 n THR 35 Ca 0.22 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.33 1gm1 n THR 35 Cb 0.58 -1.25 0.27 0.00 -1.82 0.00 0.00 70.33 68.11 1gm1 n THR 35 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1gm1 n SER 36 N 0.00 3.26 -4.68 8.00 7.64 -1.26 -4.80 113.62 121.78 1gm1 n SER 36 Ca 0.00 -1.99 -0.40 0.00 1.01 0.00 0.00 58.87 57.49 1gm1 n SER 36 Cb 0.00 -0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 1gm1 n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1gm1 s VAL 37 N -1.21 5.03 0.10 0.44 0.11 -1.26 -4.98 120.40 118.62 1gm1 s VAL 37 Ca 0.41 1.29 -0.13 0.00 -2.93 0.00 0.00 61.98 60.61 1gm1 s VAL 37 Cb 0.21 -3.98 -0.13 0.00 -1.53 0.00 0.00 36.38 30.96 1gm1 s VAL 37 CO 0.28 0.16 1.34 0.03 -3.33 0.00 0.00 175.10 173.59 1gm1 h ARG 38 N 7.19 0.78 -0.44 1.54 -0.00 -1.93 -3.31 114.38 118.20 1gm1 h ARG 38 Ca -0.35 -0.55 -0.01 0.00 -0.50 0.00 0.00 59.98 58.58 1gm1 h ARG 38 Cb 1.16 0.09 -0.02 0.00 0.00 0.00 0.00 29.97 31.19 1gm1 h ARG 38 CO 0.77 1.17 0.24 0.45 0.00 0.00 0.00 179.97 182.60 1gm1 h HIS 39 N 0.51 0.59 -2.40 3.04 3.86 -1.95 -3.48 115.15 115.31 1gm1 h HIS 39 Ca -0.01 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1gm1 h HIS 39 Cb 1.20 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1gm1 h HIS 39 CO 0.08 0.41 0.00 0.41 0.86 0.00 0.00 177.93 179.70 1gm1 n GLY 40 N -1.33 -2.30 3.66 2.45 0.00 -1.25 -5.09 105.19 101.33 1gm1 n GLY 40 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.35 -0.17 -0.02 0.00 -1.26 -4.85 107.32 100.67 1gm1 s GLY 41 Ca 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 44.72 45.20 1gm1 s GLY 41 CO 0.00 0.10 0.06 -0.42 0.00 0.00 0.00 173.10 172.85 1gm1 s ILE 42 N -2.73 4.81 0.13 0.90 -1.09 -1.26 -0.31 121.20 121.66 1gm1 s ILE 42 Ca 0.13 -0.03 0.07 0.00 -2.23 0.00 0.00 60.65 58.59 1gm1 s ILE 42 Cb 0.02 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1gm1 s ILE 42 CO -0.02 0.48 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.71 1gm1 s TYR 43 N 0.19 1.52 -0.13 3.97 2.02 -0.11 -0.97 117.35 123.84 1gm1 s TYR 43 Ca 0.04 -0.53 -0.29 0.00 -0.37 0.00 0.00 57.07 55.92 1gm1 s TYR 43 Cb -0.12 -0.78 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 1gm1 s TYR 43 CO 0.00 0.20 1.15 0.08 -1.57 0.00 0.00 175.55 175.41 1gm1 s VAL 44 N -2.12 4.44 -0.20 0.71 1.01 -0.31 -0.55 120.40 123.38 1gm1 s VAL 44 Ca 0.11 1.74 -0.16 0.00 0.00 0.00 0.00 61.98 63.66 1gm1 s VAL 44 Cb -0.05 -4.12 -0.19 0.00 0.00 0.00 0.00 36.38 32.02 1gm1 s VAL 44 CO 0.04 -0.07 0.13 1.17 0.00 0.00 0.00 175.10 176.37 1gm1 n LYS 45 N 5.79 0.61 -3.54 2.72 4.81 0.66 -1.23 118.16 127.99 1gm1 n LYS 45 Ca 0.12 0.44 -0.11 0.00 -0.87 0.00 0.00 58.31 57.89 1gm1 n LYS 45 Cb 0.46 -1.69 -0.03 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 -2.43 -1.39 -0.15 3.14 0.00 -0.95 -4.73 121.76 115.24 1gm1 s ALA 46 Ca -0.29 0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1gm1 s ALA 46 Cb 0.08 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.06 1gm1 s ALA 46 CO 0.61 -0.79 -0.18 -1.50 0.00 0.00 0.00 175.76 173.90 1gm1 s ILE 47 N -3.79 2.38 -0.17 0.00 1.10 -1.26 -1.12 121.20 118.34 1gm1 s ILE 47 Ca 0.03 -0.86 -0.29 0.00 -0.51 0.00 0.00 60.65 59.02 1gm1 s ILE 47 Cb -0.01 -1.99 -0.01 0.00 0.15 0.00 0.00 42.46 40.60 1gm1 s ILE 47 CO -0.09 0.53 1.16 -0.63 -2.11 0.00 0.00 174.94 173.80 1gm1 s ILE 48 N 0.88 4.45 0.05 2.00 -1.09 -0.20 -4.99 121.20 122.30 1gm1 s ILE 48 Ca -0.05 1.75 -0.32 0.00 -2.23 0.00 0.00 60.65 59.80 1gm1 s ILE 48 Cb -0.15 -4.13 -0.11 0.00 -1.58 0.00 0.00 42.46 36.49 1gm1 s ILE 48 CO -0.02 -0.12 1.87 -2.65 -1.23 0.00 0.00 174.94 172.78 1gm1 n PRO 49 N 6.23 2.61 -2.15 2.79 -0.02 -1.26 -1.98 135.00 141.22 1gm1 n PRO 49 Ca 0.13 0.95 -0.04 0.00 -2.02 0.00 0.00 63.50 62.52 1gm1 n PRO 49 Cb 0.46 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 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 6.25 -0.42 -2.29 -0.52 4.76 -1.26 -5.08 118.16 119.60 1gm1 n LYS 50 Ca 0.20 0.16 -0.28 0.00 -2.87 0.00 0.00 58.31 55.52 1gm1 n LYS 50 Cb 0.36 -3.75 0.02 0.00 -1.84 0.00 0.00 35.03 29.82 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1gm1 s GLY 51 N -2.87 1.59 0.11 0.72 0.00 -0.84 -4.99 107.32 101.03 1gm1 s GLY 51 Ca 0.01 -0.49 -0.34 0.00 0.00 0.00 0.00 44.72 43.91 1gm1 s GLY 51 CO 0.02 -0.23 1.56 0.00 0.00 0.00 0.00 173.10 174.45 1gm1 h ALA 52 N -0.17 -0.93 -0.06 3.20 0.00 -0.97 -2.84 119.26 117.49 1gm1 h ALA 52 Ca -0.45 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1gm1 h ALA 52 Cb 1.23 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 1gm1 h ALA 52 CO 0.62 -1.10 0.03 0.00 0.00 0.00 0.00 179.25 178.80 1gm1 h ALA 53 N -0.42 0.07 -0.29 0.00 0.00 -0.64 -2.88 119.26 115.11 1gm1 h ALA 53 Ca 0.01 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1gm1 h ALA 53 Cb 0.74 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1gm1 h ALA 53 CO -0.31 -0.39 -0.20 1.49 0.00 0.00 0.00 179.25 179.85 1gm1 h GLU 54 N -0.00 -0.04 0.00 0.00 4.22 -1.63 -2.61 114.58 114.52 1gm1 h GLU 54 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1gm1 h GLU 54 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1gm1 h GLU 54 CO -0.00 -0.03 0.00 0.43 -2.18 0.00 0.00 179.01 177.23 1gm1 n SER 55 N -3.74 0.12 0.05 1.04 7.64 -1.07 -3.41 113.62 114.24 1gm1 n SER 55 Ca 0.00 0.53 -0.07 0.00 1.01 0.00 0.00 58.87 60.34 1gm1 n SER 55 Cb 0.10 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 1gm1 n SER 55 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1gm1 h ASP 56 N 0.00 -0.19 0.00 6.43 3.58 -1.24 -3.49 116.42 121.52 1gm1 h ASP 56 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1gm1 h ASP 56 Cb 0.27 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1gm1 h ASP 56 CO 0.00 0.36 0.00 0.61 -2.88 0.00 0.00 179.24 177.33 1gm1 n GLY 57 N 1.01 0.57 0.23 -0.78 0.00 -1.19 -4.91 105.19 100.12 1gm1 n GLY 57 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 4.63 0.39 -5.51 1.61 2.47 -1.91 -3.42 114.38 112.65 1gm1 h ARG 58 Ca 0.00 -0.14 -0.63 0.00 -1.26 0.00 0.00 59.98 57.95 1gm1 h ARG 58 Cb 0.00 -0.03 -0.14 0.00 -1.65 0.00 0.00 29.97 28.16 1gm1 h ARG 58 CO 0.00 0.61 0.17 0.42 0.56 0.00 0.00 179.97 181.73 1gm1 s ILE 59 N -4.50 4.84 0.21 2.04 1.01 -1.26 -4.97 121.20 118.57 1gm1 s ILE 59 Ca -0.06 0.48 0.09 0.00 0.00 0.00 0.00 60.65 61.15 1gm1 s ILE 59 Cb 0.14 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1gm1 s ILE 59 CO 0.77 -0.42 -0.04 -2.28 0.00 0.00 0.00 174.94 172.97 1gm1 s HIS 60 N 2.81 2.70 0.07 3.97 2.46 -1.26 -4.86 115.29 121.18 1gm1 s HIS 60 Ca 0.25 -0.20 -0.31 0.00 0.47 0.00 0.00 55.06 55.27 1gm1 s HIS 60 Cb -0.14 -1.27 -0.07 0.00 -0.13 0.00 0.00 32.58 30.97 1gm1 s HIS 60 CO 0.17 0.55 1.40 0.21 -2.47 0.00 0.00 174.74 174.60 1gm1 s LYS 61 N -3.16 4.31 0.00 2.88 2.20 -1.26 -2.58 119.74 122.13 1gm1 s LYS 61 Ca 0.28 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 1gm1 s LYS 61 Cb -0.08 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1gm1 s LYS 61 CO 0.18 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 1gm1 n GLY 62 N 3.56 0.74 3.91 5.54 0.00 -0.37 -4.89 105.19 113.68 1gm1 n GLY 62 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.20 3.87 -0.10 1.61 1.01 -1.06 -4.52 116.67 115.29 1gm1 s ASP 63 Ca 0.00 0.57 -0.05 0.00 0.71 0.00 0.00 52.55 53.77 1gm1 s ASP 63 Cb 0.00 -0.87 -0.04 0.00 1.01 0.00 0.00 42.92 43.02 1gm1 s ASP 63 CO 0.00 -2.28 0.11 -0.60 0.21 0.00 0.00 175.17 172.61 1gm1 s ARG 64 N -5.70 3.33 -0.15 8.23 3.52 -0.81 -1.16 118.95 126.21 1gm1 s ARG 64 Ca 0.67 -0.22 -0.09 0.00 -0.13 0.00 0.00 55.73 55.97 1gm1 s ARG 64 Cb -0.08 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1gm1 s ARG 64 CO 0.51 0.75 0.15 0.08 -0.81 0.00 0.00 175.30 175.98 1gm1 s VAL 65 N -1.03 5.45 -0.20 7.11 1.01 -0.14 -1.33 120.40 131.28 1gm1 s VAL 65 Ca 0.16 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 1gm1 s VAL 65 Cb -0.12 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 1gm1 s VAL 65 CO 0.05 0.55 -0.34 0.18 0.00 0.00 0.00 175.10 175.54 1gm1 n LEU 66 N 2.58 1.91 -3.74 3.92 7.99 -0.74 -4.47 117.00 124.44 1gm1 n LEU 66 Ca -0.18 0.32 -0.13 0.00 -0.01 0.00 0.00 56.01 56.01 1gm1 n LEU 66 Cb 0.54 -0.74 -0.10 0.00 -0.11 0.00 0.00 43.42 43.00 1gm1 n LEU 66 CO 0.34 -0.07 0.05 0.00 -1.51 0.00 0.00 177.39 176.20 1gm1 s ALA 67 N -2.78 -0.94 -0.30 -1.18 0.00 -0.96 -2.33 121.76 113.26 1gm1 s ALA 67 Ca -0.30 1.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 1gm1 s ALA 67 Cb 0.07 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1gm1 s ALA 67 CO 0.43 -0.19 0.06 0.08 0.00 0.00 0.00 175.76 176.14 1gm1 s VAL 68 N 0.30 3.66 -1.36 0.00 1.01 -0.17 -0.73 120.40 123.11 1gm1 s VAL 68 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1gm1 s VAL 68 Cb -0.03 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1gm1 s VAL 68 CO -0.00 0.02 0.00 -3.20 0.00 0.00 0.00 175.10 171.91 1gm1 n ASN 69 N 4.80 -4.52 0.00 3.32 5.15 0.77 -1.10 115.26 123.68 1gm1 n ASN 69 Ca -0.14 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1gm1 n ASN 69 Cb 0.47 -3.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.44 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 -1.29 1.44 3.58 8.20 0.00 -1.25 -4.88 105.19 110.98 1gm1 n GLY 70 Ca -0.14 0.00 -0.41 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 -2.24 5.07 0.15 1.61 1.01 -0.26 -5.04 120.40 120.69 1gm1 s VAL 71 Ca 0.00 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1gm1 s VAL 71 Cb 0.00 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1gm1 s VAL 71 CO 0.00 -0.07 1.15 -0.94 0.00 0.00 0.00 175.10 175.23 1gm1 s SER 72 N 1.69 7.17 -0.09 3.32 1.04 -1.26 -1.00 113.70 124.57 1gm1 s SER 72 Ca 0.18 2.10 0.04 0.00 0.48 0.00 0.00 55.95 58.75 1gm1 s SER 72 Cb -0.16 -2.60 0.27 0.00 0.10 0.00 0.00 66.02 63.63 1gm1 s SER 72 CO 0.12 -0.33 1.00 0.18 0.98 0.00 0.00 173.24 175.19 1gm1 n LEU 73 N 2.84 2.95 -4.66 2.42 4.77 -0.99 -4.85 117.00 119.48 1gm1 n LEU 73 Ca 0.05 -1.50 -0.42 0.00 -0.03 0.00 0.00 56.01 54.10 1gm1 n LEU 73 Cb 0.46 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1gm1 n LEU 73 CO 0.55 0.44 1.34 -1.61 -1.33 0.00 0.00 177.39 176.78 1gm1 s GLU 74 N -1.49 4.16 0.00 3.23 0.41 -1.26 -2.42 118.70 121.34 1gm1 s GLU 74 Ca 0.18 2.10 0.00 0.00 -0.41 0.00 0.00 54.97 56.84 1gm1 s GLU 74 Cb 0.14 -3.96 0.00 0.00 -1.78 0.00 0.00 34.13 28.53 1gm1 s GLU 74 CO 0.05 -0.86 0.00 0.41 -0.49 0.00 0.00 175.26 174.37 1gm1 n GLY 75 N 4.10 0.44 3.77 -1.39 0.00 -1.26 -5.02 105.19 105.83 1gm1 n GLY 75 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.97 3.14 0.83 4.61 0.00 -1.01 -4.82 121.76 122.53 1gm1 s ALA 76 Ca 0.00 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 52.72 1gm1 s ALA 76 Cb 0.00 -3.32 0.16 0.00 0.00 0.00 0.00 23.12 19.96 1gm1 s ALA 76 CO 0.00 -0.34 1.14 0.95 0.00 0.00 0.00 175.76 177.51 1gm1 s THR 77 N -1.50 2.06 0.10 0.00 -4.23 -1.26 -0.94 115.64 109.88 1gm1 s THR 77 Ca 0.56 -0.36 -0.19 0.00 -1.18 0.00 0.00 61.69 60.53 1gm1 s THR 77 Cb -0.27 -2.71 -0.06 0.00 1.34 0.00 0.00 72.50 70.80 1gm1 s THR 77 CO 0.33 0.00 1.66 -0.74 -0.54 0.00 0.00 174.62 175.33 1gm1 h HIS 78 N -1.01 0.37 -0.98 3.99 2.76 -1.91 -3.00 115.15 115.37 1gm1 h HIS 78 Ca -0.39 -0.03 0.11 0.00 -2.20 0.00 0.00 60.37 57.87 1gm1 h HIS 78 Cb 1.25 -0.11 -0.08 0.00 1.55 0.00 0.00 27.41 30.02 1gm1 h HIS 78 CO -0.63 0.38 0.62 -0.22 -1.30 0.00 0.00 177.93 176.79 1gm1 h LYS 79 N 0.26 0.95 0.04 5.26 3.11 -1.95 -1.76 116.57 122.48 1gm1 h LYS 79 Ca 0.08 -0.06 0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1gm1 h LYS 79 Cb 0.16 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 1gm1 h LYS 79 CO -0.01 0.63 -0.07 1.96 -2.81 0.00 0.00 179.45 179.15 1gm1 h GLN 80 N 0.98 -0.14 -0.30 1.90 1.08 -1.92 -1.09 115.11 115.62 1gm1 h GLN 80 Ca 0.48 0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.59 1gm1 h GLN 80 Cb 0.47 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1gm1 h GLN 80 CO -0.24 -0.09 -0.22 0.00 -0.95 0.00 0.00 178.83 177.33 1gm1 h ALA 81 N 0.81 1.07 -0.10 3.87 0.00 -1.34 -0.47 119.26 123.10 1gm1 h ALA 81 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1gm1 h ALA 81 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1gm1 h ALA 81 CO -0.05 0.57 0.02 0.28 0.00 0.00 0.00 179.25 180.07 1gm1 h VAL 82 N 0.50 1.21 -0.49 0.00 2.07 -1.25 0.16 116.25 118.44 1gm1 h VAL 82 Ca 0.08 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1gm1 h VAL 82 Cb 0.65 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1gm1 h VAL 82 CO 0.05 0.18 0.30 -0.33 0.02 0.00 0.00 177.57 177.79 1gm1 h GLU 83 N -0.06 0.57 -0.53 1.57 5.08 -1.00 -0.86 114.58 119.36 1gm1 h GLU 83 Ca 0.03 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1gm1 h GLU 83 Cb 0.27 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1gm1 h GLU 83 CO 0.00 0.38 0.24 1.15 -1.00 0.00 0.00 179.01 179.78 1gm1 h THR 84 N 0.59 1.20 -0.41 1.13 2.02 -1.01 -0.56 112.91 115.87 1gm1 h THR 84 Ca 0.20 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1gm1 h THR 84 Cb 0.02 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1gm1 h THR 84 CO -0.09 0.23 0.23 -0.07 0.37 0.00 0.00 175.52 176.19 1gm1 h LEU 85 N 0.71 0.51 -0.76 2.58 3.38 -0.46 -3.20 115.31 118.07 1gm1 h LEU 85 Ca 0.18 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1gm1 h LEU 85 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1gm1 h LEU 85 CO -0.02 0.44 -0.50 0.03 0.09 0.00 0.00 178.44 178.48 1gm1 h ARG 86 N 0.53 0.00 -2.05 1.13 3.08 -0.94 -3.16 114.38 112.97 1gm1 h ARG 86 Ca 0.14 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.86 1gm1 h ARG 86 Cb 0.05 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.99 1gm1 h ARG 86 CO -0.02 0.50 0.11 -1.71 -1.07 0.00 0.00 179.97 177.78 1gm1 n ASN 87 N -3.59 5.89 -4.74 7.04 5.15 -0.24 -4.88 115.26 119.89 1gm1 n ASN 87 Ca -0.00 -2.78 -0.30 0.00 -0.60 0.00 0.00 54.58 50.90 1gm1 n ASN 87 Cb 0.58 -1.35 -0.07 0.00 -0.53 0.00 0.00 39.78 38.41 1gm1 n ASN 87 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1gm1 s THR 88 N -0.25 4.34 0.00 -0.44 -4.23 -1.20 -4.95 115.64 108.91 1gm1 s THR 88 Ca 0.64 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1gm1 s THR 88 Cb 0.34 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 71.10 1gm1 s THR 88 CO -0.09 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1gm1 n GLY 89 N 0.52 0.76 0.15 3.99 0.00 -1.26 -5.02 105.19 104.33 1gm1 n GLY 89 Ca -0.09 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.27 -5.90 1.61 4.15 -2.00 -3.43 115.11 109.27 1gm1 h GLN 90 Ca 0.00 0.02 -0.60 0.00 0.77 0.00 0.00 58.65 58.84 1gm1 h GLN 90 Cb 0.00 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 1gm1 h GLN 90 CO 0.00 0.09 -0.19 0.08 -1.93 0.00 0.00 178.83 176.88 1gm1 s VAL 91 N -4.40 5.08 -0.11 2.39 1.01 -1.26 -1.88 120.40 121.24 1gm1 s VAL 91 Ca -0.14 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1gm1 s VAL 91 Cb 0.02 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1gm1 s VAL 91 CO 0.56 0.50 -0.17 -0.69 0.00 0.00 0.00 175.10 175.30 1gm1 s VAL 92 N -0.50 1.59 -0.60 2.92 1.01 0.11 -4.97 120.40 119.96 1gm1 s VAL 92 Ca 0.24 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1gm1 s VAL 92 Cb -0.16 -1.43 0.16 0.00 0.00 0.00 0.00 36.38 34.94 1gm1 s VAL 92 CO 0.12 0.46 0.49 -1.00 0.00 0.00 0.00 175.10 175.17 1gm1 s HIS 93 N 0.84 3.49 0.23 5.22 3.76 -1.26 -1.92 115.29 125.65 1gm1 s HIS 93 Ca -0.09 -2.01 -0.04 0.00 -0.15 0.00 0.00 55.06 52.77 1gm1 s HIS 93 Cb -0.15 -3.56 -0.05 0.00 1.11 0.00 0.00 32.58 29.92 1gm1 s HIS 93 CO 0.00 -0.97 0.47 -0.51 -0.85 0.00 0.00 174.74 172.89 1gm1 s LEU 94 N 0.79 4.16 -0.05 0.89 1.43 0.14 -0.16 118.68 125.88 1gm1 s LEU 94 Ca 0.11 0.61 0.05 0.00 -1.03 0.00 0.00 54.13 53.86 1gm1 s LEU 94 Cb -0.21 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1gm1 s LEU 94 CO -0.03 -0.09 -0.19 -0.22 0.23 0.00 0.00 176.35 176.05 1gm1 s LEU 95 N -3.26 2.47 0.05 1.79 2.96 0.09 -1.17 118.68 121.61 1gm1 s LEU 95 Ca 0.42 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1gm1 s LEU 95 Cb -0.11 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 1gm1 s LEU 95 CO 0.28 0.32 -0.05 -0.22 -1.32 0.00 0.00 176.35 175.35 1gm1 s LEU 96 N -0.56 2.34 -0.02 -0.68 1.98 -0.15 -1.79 118.68 119.80 1gm1 s LEU 96 Ca 0.08 -0.70 0.02 0.00 -2.89 0.00 0.00 54.13 50.64 1gm1 s LEU 96 Cb -0.11 -0.00 0.00 0.00 0.66 0.00 0.00 46.19 46.74 1gm1 s LEU 96 CO 0.01 -0.35 -0.08 -0.70 -1.89 0.00 0.00 176.35 173.34 1gm1 s GLU 97 N -2.39 0.84 0.01 1.98 2.12 -0.44 -1.02 118.70 119.80 1gm1 s GLU 97 Ca -0.05 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 1gm1 s GLU 97 Cb -0.04 -0.80 -0.04 0.00 0.26 0.00 0.00 34.13 33.51 1gm1 s GLU 97 CO -0.03 0.10 1.15 0.21 -0.54 0.00 0.00 175.26 176.15 1gm1 s LYS 98 N 0.20 4.43 0.62 4.30 2.47 -0.24 -1.93 119.74 129.60 1gm1 s LYS 98 Ca -0.03 1.66 -0.17 0.00 -1.56 0.00 0.00 55.97 55.87 1gm1 s LYS 98 Cb -0.08 -3.44 -0.02 0.00 -1.46 0.00 0.00 37.83 32.84 1gm1 s LYS 98 CO 0.00 -0.27 1.17 0.20 0.16 0.00 0.00 175.35 176.61 1gm1 s GLY 99 N 1.17 2.52 -0.24 5.54 0.00 -1.26 -2.31 107.32 112.74 1gm1 s GLY 99 Ca 0.56 0.85 -0.17 0.00 0.00 0.00 0.00 44.72 45.96 1gm1 s GLY 99 CO 0.26 1.23 -0.09 0.61 0.00 0.00 0.00 173.10 175.11 1gm1 n GLN 100 N -1.94 0.57 -4.91 2.90 10.64 -1.26 -4.57 117.38 118.81 1gm1 n GLN 100 Ca 0.12 0.41 -0.29 0.00 -1.83 0.00 0.00 57.00 55.42 1gm1 n GLN 100 Cb 0.50 -1.61 -0.15 0.00 -0.86 0.00 0.00 30.24 28.12 1gm1 n GLN 100 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1gm1 s VAL 101 N -2.45 2.03 -2.00 -0.39 -7.23 -1.26 -4.97 120.40 104.14 1gm1 s VAL 101 Ca -0.33 -1.31 0.31 0.00 -1.81 0.00 0.00 61.98 58.84 1gm1 s VAL 101 Cb 0.10 -1.74 0.88 0.00 0.56 0.00 0.00 36.38 36.18 1gm1 s VAL 101 CO 0.52 0.37 2.18 -0.81 -0.31 0.00 0.00 175.10 177.05