#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 -0.09 0.00 1.64 -0.04 -1.26 -4.96 135.00 130.29 1gm1 n PRO 10 Ca 0.00 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 1gm1 n PRO 10 Cb 0.00 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.05 1gm1 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gm1 n GLY 11 N 1.70 0.82 3.88 0.55 0.00 -1.25 -5.07 105.19 105.82 1gm1 n GLY 11 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.42 6.54 0.13 1.61 2.15 -1.26 -4.89 116.67 119.53 1gm1 s ASP 12 Ca 0.00 1.04 0.11 0.00 0.43 0.00 0.00 52.55 54.13 1gm1 s ASP 12 Cb 0.00 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.30 1gm1 s ASP 12 CO 0.00 -0.31 -0.26 0.42 -0.17 0.00 0.00 175.17 174.85 1gm1 s THR 13 N -2.23 2.17 -0.11 1.71 -4.23 -1.26 -0.60 115.64 111.10 1gm1 s THR 13 Ca 0.50 -1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 59.19 1gm1 s THR 13 Cb -0.10 -1.93 0.03 0.00 1.34 0.00 0.00 72.50 71.84 1gm1 s THR 13 CO 0.29 0.06 0.27 0.72 -0.54 0.00 0.00 174.62 175.42 1gm1 s PHE 14 N -1.10 -0.32 -0.12 3.99 -0.71 -0.90 -5.00 117.98 113.81 1gm1 s PHE 14 Ca 0.13 0.77 -0.21 0.00 -1.04 0.00 0.00 56.93 56.59 1gm1 s PHE 14 Cb -0.10 0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.77 1gm1 s PHE 14 CO 0.06 -0.18 0.60 -1.21 -1.34 0.00 0.00 175.22 173.15 1gm1 s GLU 15 N 0.57 4.34 -0.56 1.99 8.01 -1.26 -2.28 118.70 129.51 1gm1 s GLU 15 Ca -0.04 0.66 -0.06 0.00 0.01 0.00 0.00 54.97 55.54 1gm1 s GLU 15 Cb -0.05 -3.48 0.15 0.00 -4.31 0.00 0.00 34.13 26.43 1gm1 s GLU 15 CO -0.03 0.00 0.40 0.08 0.01 0.00 0.00 175.26 175.72 1gm1 s VAL 16 N 1.08 3.96 -0.58 2.63 1.01 0.00 -4.96 120.40 123.53 1gm1 s VAL 16 Ca 0.31 -2.42 -0.21 0.00 0.00 0.00 0.00 61.98 59.66 1gm1 s VAL 16 Cb -0.16 -3.59 0.07 0.00 0.00 0.00 0.00 36.38 32.69 1gm1 s VAL 16 CO 0.13 -0.83 0.82 -1.61 0.00 0.00 0.00 175.10 173.61 1gm1 s GLU 17 N 0.57 3.15 0.03 2.72 2.02 -1.26 -0.66 118.70 125.27 1gm1 s GLU 17 Ca 0.12 -0.81 0.07 0.00 0.02 0.00 0.00 54.97 54.37 1gm1 s GLU 17 Cb -0.21 -4.16 -0.02 0.00 0.10 0.00 0.00 34.13 29.84 1gm1 s GLU 17 CO -0.04 -1.53 -0.20 -1.17 0.02 0.00 0.00 175.26 172.34 1gm1 s LEU 18 N 3.40 2.13 -0.13 1.80 2.96 0.26 -4.97 118.68 124.13 1gm1 s LEU 18 Ca 0.20 -0.47 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1gm1 s LEU 18 Cb -0.18 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1gm1 s LEU 18 CO 0.12 0.18 0.10 0.00 -1.32 0.00 0.00 176.35 175.43 1gm1 s ALA 19 N -0.70 3.68 0.62 5.97 0.00 -1.26 0.38 121.76 130.44 1gm1 s ALA 19 Ca 0.07 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.18 1gm1 s ALA 19 Cb -0.08 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1gm1 s ALA 19 CO 0.01 0.52 1.12 0.15 0.00 0.00 0.00 175.76 177.56 1gm1 s LYS 20 N -0.71 2.99 -0.03 0.00 1.02 -0.51 -4.81 119.74 117.68 1gm1 s LYS 20 Ca 0.13 1.47 -0.01 0.00 0.02 0.00 0.00 55.97 57.58 1gm1 s LYS 20 Cb -0.12 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.24 1gm1 s LYS 20 CO 0.03 -1.11 0.06 -0.08 -0.92 0.00 0.00 175.35 173.33 1gm1 s THR 21 N -2.13 -0.03 -1.57 2.17 -1.32 -1.05 -4.83 115.64 106.88 1gm1 s THR 21 Ca 0.69 0.12 -0.15 0.00 -1.21 0.00 0.00 61.69 61.15 1gm1 s THR 21 Cb -0.22 -0.11 0.11 0.00 -1.51 0.00 0.00 72.50 70.77 1gm1 s THR 21 CO 0.36 0.05 0.87 -0.67 -2.21 0.00 0.00 174.62 173.03 1gm1 n ASP 22 N 3.75 -4.30 0.00 8.08 2.03 -1.26 -0.88 116.55 123.97 1gm1 n ASP 22 Ca -0.21 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1gm1 n ASP 22 Cb 0.54 -3.46 0.00 0.00 -0.72 0.00 0.00 41.12 37.48 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 -1.54 0.51 3.54 0.27 0.00 -1.26 -4.99 105.19 101.72 1gm1 n GLY 23 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1gm1 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gm1 s SER 24 N -2.42 4.32 -0.10 1.61 1.04 -0.06 -5.03 113.70 113.07 1gm1 s SER 24 Ca 0.00 -0.25 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 1gm1 s SER 24 Cb 0.00 -0.91 -0.04 0.00 0.10 0.00 0.00 66.02 65.18 1gm1 s SER 24 CO 0.00 0.27 -0.21 0.18 0.98 0.00 0.00 173.24 174.47 1gm1 n LEU 25 N 1.56 1.25 0.00 2.42 4.77 -1.26 -2.52 117.00 123.22 1gm1 n LEU 25 Ca -0.16 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1gm1 n LEU 25 Cb 0.52 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1gm1 n LEU 25 CO 0.29 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1gm1 n GLY 26 N 1.76 1.45 3.74 -0.72 0.00 -1.26 0.41 105.19 110.56 1gm1 n GLY 26 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 5.33 -0.21 -0.61 -4.36 -1.26 -0.93 121.20 117.15 1gm1 s ILE 27 Ca 0.00 0.16 -0.04 0.00 -0.26 0.00 0.00 60.65 60.51 1gm1 s ILE 27 Cb 0.00 -3.41 -0.01 0.00 1.25 0.00 0.00 42.46 40.28 1gm1 s ILE 27 CO 0.00 0.47 -0.03 -0.55 0.24 0.00 0.00 174.94 175.07 1gm1 s SER 28 N 0.14 4.47 0.35 4.36 0.15 -0.22 -4.97 113.70 117.98 1gm1 s SER 28 Ca 0.08 -0.33 0.07 0.00 0.70 0.00 0.00 55.95 56.48 1gm1 s SER 28 Cb -0.11 -1.77 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 1gm1 s SER 28 CO -0.01 0.01 0.33 0.68 1.20 0.00 0.00 173.24 175.45 1gm1 s VAL 29 N 1.32 3.49 0.14 4.45 -7.23 -1.26 -0.42 120.40 120.89 1gm1 s VAL 29 Ca 0.04 -1.32 -0.11 0.00 -1.81 0.00 0.00 61.98 58.78 1gm1 s VAL 29 Cb -0.14 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.61 1gm1 s VAL 29 CO -0.01 -0.15 0.30 0.28 -0.31 0.00 0.00 175.10 175.21 1gm1 s THR 30 N -2.31 0.09 0.00 5.32 -1.32 0.58 -4.66 115.64 113.35 1gm1 s THR 30 Ca 0.42 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 1gm1 s THR 30 Cb -0.06 -1.53 0.00 0.00 -1.51 0.00 0.00 72.50 69.40 1gm1 s THR 30 CO 0.27 -0.40 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 1gm1 n GLY 31 N -0.18 0.41 0.00 6.08 0.00 -1.26 -0.81 105.19 109.43 1gm1 n GLY 31 Ca -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.26 0.20 -0.02 0.00 0.32 -3.65 105.19 101.78 1gm1 n GLY 32 Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.31 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 0.65 -0.57 1.61 -1.51 -1.61 -3.30 116.25 111.52 1gm1 h VAL 33 Ca 0.00 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.11 1gm1 h VAL 33 Cb 0.00 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1gm1 h VAL 33 CO 0.00 0.28 0.00 -3.20 -1.23 0.00 0.00 177.57 173.42 1gm1 n ASN 34 N -3.38 5.70 0.00 4.19 5.15 -1.26 -4.86 115.26 120.80 1gm1 n ASN 34 Ca 0.00 -2.93 0.00 0.00 -0.60 0.00 0.00 54.58 51.05 1gm1 n ASN 34 Cb 0.50 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 1gm1 n ASN 34 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1gm1 n THR 35 N 0.60 0.00 0.16 -0.44 5.66 -1.24 -5.05 114.28 113.97 1gm1 n THR 35 Ca 0.28 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.29 1gm1 n THR 35 Cb 1.19 -0.11 0.26 0.00 -1.55 0.00 0.00 70.33 70.12 1gm1 n THR 35 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1gm1 h SER 36 N 0.00 0.00 -1.47 1.09 4.64 -1.90 -3.41 113.55 112.50 1gm1 h SER 36 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 1gm1 h SER 36 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1gm1 h SER 36 CO 0.00 0.50 1.13 0.68 -0.87 0.00 0.00 176.83 178.27 1gm1 s VAL 37 N -3.67 3.57 -0.62 0.95 -7.23 -1.26 -4.84 120.40 107.29 1gm1 s VAL 37 Ca -0.01 -0.14 0.22 0.00 -1.81 0.00 0.00 61.98 60.24 1gm1 s VAL 37 Cb 0.12 -4.38 0.23 0.00 0.56 0.00 0.00 36.38 32.91 1gm1 s VAL 37 CO 0.73 -1.31 1.67 -2.11 -0.31 0.00 0.00 175.10 173.77 1gm1 n ARG 38 N 9.06 0.16 -0.04 4.82 1.85 -1.26 -2.04 116.66 129.20 1gm1 n ARG 38 Ca 0.26 0.36 -0.13 0.00 -1.00 0.00 0.00 57.85 57.34 1gm1 n ARG 38 Cb 0.50 -1.78 -0.00 0.00 -1.05 0.00 0.00 32.46 30.12 1gm1 n ARG 38 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1gm1 h HIS 39 N 0.00 0.93 -1.84 2.89 3.86 -1.94 -3.50 115.15 115.55 1gm1 h HIS 39 Ca 0.00 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1gm1 h HIS 39 Cb 0.38 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1gm1 h HIS 39 CO 0.00 1.13 0.00 0.41 0.86 0.00 0.00 177.93 180.33 1gm1 n GLY 40 N 0.34 -1.99 3.53 2.45 0.00 -0.87 -5.03 105.19 103.63 1gm1 n GLY 40 Ca -0.04 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.40 -0.25 -0.02 0.00 -1.26 -4.90 107.32 100.48 1gm1 s GLY 41 Ca 0.00 1.44 -0.11 0.00 0.00 0.00 0.00 44.72 46.05 1gm1 s GLY 41 CO 0.00 0.67 0.17 -0.42 0.00 0.00 0.00 173.10 173.51 1gm1 s ILE 42 N -2.15 5.31 0.20 0.90 -1.09 -1.26 -0.52 121.20 122.58 1gm1 s ILE 42 Ca 0.01 0.16 0.09 0.00 -2.23 0.00 0.00 60.65 58.69 1gm1 s ILE 42 Cb -0.01 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1gm1 s ILE 42 CO -0.03 0.31 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.50 1gm1 s TYR 43 N 1.30 1.96 -0.06 3.97 2.02 0.01 -0.95 117.35 125.61 1gm1 s TYR 43 Ca 0.07 -0.45 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 1gm1 s TYR 43 Cb -0.14 -0.93 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 1gm1 s TYR 43 CO 0.07 0.44 1.16 0.08 -1.57 0.00 0.00 175.55 175.73 1gm1 s VAL 44 N -2.31 4.37 -0.17 0.71 1.01 -0.16 -0.30 120.40 123.55 1gm1 s VAL 44 Ca 0.21 1.68 0.06 0.00 0.00 0.00 0.00 61.98 63.93 1gm1 s VAL 44 Cb -0.05 -4.08 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 1gm1 s VAL 44 CO 0.09 0.01 0.16 2.29 0.00 0.00 0.00 175.10 177.65 1gm1 n LYS 45 N 5.09 0.68 -3.55 2.72 2.85 0.45 -0.97 118.16 125.43 1gm1 n LYS 45 Ca 0.10 0.17 -0.12 0.00 -1.05 0.00 0.00 58.31 57.41 1gm1 n LYS 45 Cb 0.47 -1.62 -0.04 0.00 -0.65 0.00 0.00 35.03 33.19 1gm1 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1gm1 s ALA 46 N -2.54 -1.27 -0.17 0.58 0.00 -0.96 -4.79 121.76 112.61 1gm1 s ALA 46 Ca -0.20 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.11 1gm1 s ALA 46 Cb 0.07 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1gm1 s ALA 46 CO 0.74 -0.63 -0.15 -1.50 0.00 0.00 0.00 175.76 174.22 1gm1 s ILE 47 N -3.28 2.60 -0.20 0.00 1.10 -1.26 -1.05 121.20 119.11 1gm1 s ILE 47 Ca -0.01 -0.78 -0.29 0.00 -0.51 0.00 0.00 60.65 59.07 1gm1 s ILE 47 Cb 0.00 -2.11 -0.00 0.00 0.15 0.00 0.00 42.46 40.49 1gm1 s ILE 47 CO -0.08 0.51 1.19 -0.63 -2.11 0.00 0.00 174.94 173.81 1gm1 s ILE 48 N 1.06 4.41 0.03 2.00 -1.09 -0.11 -4.99 121.20 122.51 1gm1 s ILE 48 Ca -0.01 1.69 -0.30 0.00 -2.23 0.00 0.00 60.65 59.80 1gm1 s ILE 48 Cb -0.15 -4.13 -0.07 0.00 -1.58 0.00 0.00 42.46 36.54 1gm1 s ILE 48 CO -0.04 -0.19 1.58 -2.16 -1.23 0.00 0.00 174.94 172.90 1gm1 s PRO 49 N 3.46 4.22 -0.08 2.79 0.04 -1.26 -1.95 135.00 142.21 1gm1 s PRO 49 Ca 0.51 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1gm1 s PRO 49 Cb -0.19 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.71 1gm1 s PRO 49 CO 0.12 -0.70 0.00 1.63 0.04 0.00 0.00 177.00 178.09 1gm1 n LYS 50 N 5.75 -0.08 -2.29 4.56 4.76 -1.26 -5.09 118.16 124.50 1gm1 n LYS 50 Ca 0.15 0.06 -0.28 0.00 -2.87 0.00 0.00 58.31 55.37 1gm1 n LYS 50 Cb 0.42 -3.62 0.02 0.00 -1.84 0.00 0.00 35.03 30.01 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 -2.96 1.59 0.11 0.72 0.00 -0.82 -4.99 107.32 100.97 1gm1 s GLY 51 Ca 0.00 -0.49 -0.34 0.00 0.00 0.00 0.00 44.72 43.89 1gm1 s GLY 51 CO 0.00 -0.23 1.55 0.00 0.00 0.00 0.00 173.10 174.42 1gm1 h ALA 52 N -0.17 -0.92 -0.31 3.20 0.00 -1.12 -2.47 119.26 117.48 1gm1 h ALA 52 Ca -0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1gm1 h ALA 52 Cb 1.23 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 1gm1 h ALA 52 CO 0.62 -1.11 0.12 0.00 0.00 0.00 0.00 179.25 178.88 1gm1 h ALA 53 N -0.35 0.41 -0.29 0.00 0.00 -0.37 -2.57 119.26 116.09 1gm1 h ALA 53 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1gm1 h ALA 53 Cb 0.70 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1gm1 h ALA 53 CO -0.41 0.01 -0.25 1.49 0.00 0.00 0.00 179.25 180.09 1gm1 h GLU 54 N 0.36 -0.09 0.00 0.00 4.22 -1.67 -2.81 114.58 114.58 1gm1 h GLU 54 Ca 0.10 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.49 1gm1 h GLU 54 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1gm1 h GLU 54 CO -0.01 -0.06 -0.27 1.03 -2.18 0.00 0.00 179.01 177.52 1gm1 h SER 55 N -0.10 0.00 0.52 1.04 0.87 -1.44 -3.04 113.55 111.39 1gm1 h SER 55 Ca 0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1gm1 h SER 55 Cb 0.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1gm1 h SER 55 CO -0.32 0.27 -0.35 -0.78 -0.53 0.00 0.00 176.83 175.12 1gm1 h ASP 56 N 0.00 -0.90 0.00 6.23 1.82 -1.26 -3.47 116.42 118.85 1gm1 h ASP 56 Ca -0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1gm1 h ASP 56 Cb 0.59 0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1gm1 h ASP 56 CO 0.04 -0.53 0.00 0.61 -1.61 0.00 0.00 179.24 177.74 1gm1 n GLY 57 N -1.48 0.70 0.26 -0.78 0.00 -1.08 -4.88 105.19 97.93 1gm1 n GLY 57 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 4.09 0.63 -6.33 1.61 3.08 -1.89 -3.43 114.38 112.14 1gm1 h ARG 58 Ca 0.00 -0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.47 1gm1 h ARG 58 Cb 0.00 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1gm1 h ARG 58 CO 0.00 0.42 0.28 0.42 -1.07 0.00 0.00 179.97 180.02 1gm1 s ILE 59 N -6.08 4.85 0.19 2.04 1.01 -1.26 -5.07 121.20 116.87 1gm1 s ILE 59 Ca -0.13 1.87 0.10 0.00 0.00 0.00 0.00 60.65 62.50 1gm1 s ILE 59 Cb 0.17 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1gm1 s ILE 59 CO 0.76 0.22 -0.20 -1.00 0.00 0.00 0.00 174.94 174.72 1gm1 s HIS 60 N 0.71 2.04 -0.47 3.97 3.76 -1.26 -4.95 115.29 119.09 1gm1 s HIS 60 Ca 0.47 -0.42 -0.28 0.00 -0.15 0.00 0.00 55.06 54.68 1gm1 s HIS 60 Cb -0.20 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.49 1gm1 s HIS 60 CO 0.25 0.43 1.56 -1.59 -0.85 0.00 0.00 174.74 174.55 1gm1 s LYS 61 N -2.84 3.29 0.00 1.40 -2.85 -1.26 -2.38 119.74 115.10 1gm1 s LYS 61 Ca 0.19 0.83 0.00 0.00 -1.00 0.00 0.00 55.97 55.99 1gm1 s LYS 61 Cb -0.06 -4.15 0.00 0.00 -2.06 0.00 0.00 37.83 31.56 1gm1 s LYS 61 CO 0.09 -1.93 0.00 0.41 0.10 0.00 0.00 175.35 174.02 1gm1 n GLY 62 N 5.31 1.81 3.87 0.59 0.00 -0.14 -4.96 105.19 111.67 1gm1 n GLY 62 Ca 0.17 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 6.27 -0.18 1.61 1.47 -1.00 -4.54 116.67 120.30 1gm1 s ASP 63 Ca 0.00 1.42 -0.04 0.00 1.18 0.00 0.00 52.55 55.11 1gm1 s ASP 63 Cb 0.00 -2.47 -0.02 0.00 -0.34 0.00 0.00 42.92 40.09 1gm1 s ASP 63 CO 0.00 -0.83 -0.03 -0.60 0.68 0.00 0.00 175.17 174.38 1gm1 s ARG 64 N -5.05 3.56 0.09 2.11 3.52 -0.07 -0.98 118.95 122.12 1gm1 s ARG 64 Ca 0.55 -0.56 -0.28 0.00 -0.13 0.00 0.00 55.73 55.31 1gm1 s ARG 64 Cb -0.11 -2.96 -0.06 0.00 -1.56 0.00 0.00 34.95 30.26 1gm1 s ARG 64 CO 0.51 0.06 0.87 0.08 -0.81 0.00 0.00 175.30 176.02 1gm1 s VAL 65 N 0.84 4.57 -0.19 7.11 1.01 -0.12 -0.33 120.40 133.29 1gm1 s VAL 65 Ca -0.01 1.88 -0.13 0.00 0.00 0.00 0.00 61.98 63.72 1gm1 s VAL 65 Cb -0.15 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 1gm1 s VAL 65 CO 0.02 0.35 -0.29 0.18 0.00 0.00 0.00 175.10 175.36 1gm1 n LEU 66 N 2.69 1.66 -3.74 3.92 4.77 -0.66 -4.63 117.00 121.02 1gm1 n LEU 66 Ca -0.00 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1gm1 n LEU 66 Cb 0.49 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 1gm1 n LEU 66 CO 0.49 0.14 0.07 0.00 -1.33 0.00 0.00 177.39 176.75 1gm1 s ALA 67 N -2.54 -0.92 -0.33 -1.18 0.00 -0.57 -1.62 121.76 114.60 1gm1 s ALA 67 Ca -0.28 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 1gm1 s ALA 67 Cb 0.09 -0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1gm1 s ALA 67 CO 0.38 -0.24 0.05 0.08 0.00 0.00 0.00 175.76 176.03 1gm1 s VAL 68 N -0.72 3.11 -1.16 0.00 1.01 0.14 -1.00 120.40 121.78 1gm1 s VAL 68 Ca -0.08 -1.53 -0.04 0.00 0.00 0.00 0.00 61.98 60.33 1gm1 s VAL 68 Cb -0.04 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1gm1 s VAL 68 CO 0.03 -0.25 0.99 -3.20 0.00 0.00 0.00 175.10 172.68 1gm1 n ASN 69 N 4.62 -3.96 0.00 3.32 5.15 0.75 -1.58 115.26 123.57 1gm1 n ASN 69 Ca -0.10 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 1gm1 n ASN 69 Cb 0.43 -4.67 0.00 0.00 -0.53 0.00 0.00 39.78 35.01 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 -1.49 3.02 3.56 8.20 0.00 -1.26 -5.00 105.19 112.23 1gm1 n GLY 70 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.71 4.63 0.08 1.61 1.01 -0.61 -5.01 120.40 120.40 1gm1 s VAL 71 Ca 0.00 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 1gm1 s VAL 71 Cb 0.00 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1gm1 s VAL 71 CO 0.00 -0.65 1.40 -0.94 0.00 0.00 0.00 175.10 174.92 1gm1 s SER 72 N 2.06 6.82 -0.52 3.32 1.04 -1.26 -0.68 113.70 124.48 1gm1 s SER 72 Ca 0.32 2.28 -0.05 0.00 0.48 0.00 0.00 55.95 58.98 1gm1 s SER 72 Cb -0.12 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.36 1gm1 s SER 72 CO 0.21 -0.68 3.03 0.18 0.98 0.00 0.00 173.24 176.97 1gm1 n LEU 73 N 4.37 6.46 -4.67 2.42 4.77 -0.64 -4.94 117.00 124.77 1gm1 n LEU 73 Ca 0.12 -3.90 -0.43 0.00 -0.03 0.00 0.00 56.01 51.77 1gm1 n LEU 73 Cb 0.43 -1.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.15 1gm1 n LEU 73 CO 0.59 1.80 0.93 -1.83 -1.33 0.00 0.00 177.39 177.54 1gm1 s GLU 74 N -0.37 4.29 -1.79 3.23 -1.05 -1.26 -3.02 118.70 118.72 1gm1 s GLU 74 Ca 0.62 1.44 0.00 0.00 -0.15 0.00 0.00 54.97 56.88 1gm1 s GLU 74 Cb 0.32 -3.64 0.00 0.00 -0.44 0.00 0.00 34.13 30.37 1gm1 s GLU 74 CO -0.12 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 175.92 1gm1 n GLY 75 N 3.34 0.92 3.78 -3.83 0.00 -1.26 -4.95 105.19 103.19 1gm1 n GLY 75 Ca 0.12 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.77 2.57 0.59 4.61 0.00 -1.17 -4.65 121.76 120.94 1gm1 s ALA 76 Ca 0.00 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 1gm1 s ALA 76 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1gm1 s ALA 76 CO 0.00 -1.08 0.84 0.95 0.00 0.00 0.00 175.76 176.46 1gm1 s THR 77 N -2.25 2.55 0.07 0.00 -4.23 -1.26 -1.76 115.64 108.77 1gm1 s THR 77 Ca 0.67 -0.58 -0.35 0.00 -1.18 0.00 0.00 61.69 60.26 1gm1 s THR 77 Cb -0.20 -2.97 -0.18 0.00 1.34 0.00 0.00 72.50 70.49 1gm1 s THR 77 CO 0.38 0.00 1.60 -0.74 -0.54 0.00 0.00 174.62 175.31 1gm1 h HIS 78 N -0.10 -1.08 -0.19 3.99 2.76 -1.90 -2.90 115.15 115.73 1gm1 h HIS 78 Ca -0.42 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 57.79 1gm1 h HIS 78 Cb 1.30 0.38 -0.01 0.00 1.55 0.00 0.00 27.41 30.63 1gm1 h HIS 78 CO 0.33 -0.62 0.14 0.87 -1.30 0.00 0.00 177.93 177.34 1gm1 h LYS 79 N -1.03 0.00 0.07 5.26 1.57 -1.97 -3.02 116.57 117.45 1gm1 h LYS 79 Ca -0.09 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1gm1 h LYS 79 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1gm1 h LYS 79 CO 0.10 0.00 -0.13 0.37 -0.57 0.00 0.00 179.45 179.21 1gm1 h GLN 80 N 0.00 -0.25 -0.53 3.15 -0.00 -1.91 -1.09 115.11 114.48 1gm1 h GLN 80 Ca 0.09 0.02 0.03 0.00 -0.00 0.00 0.00 58.65 58.78 1gm1 h GLN 80 Cb 0.37 0.06 -0.04 0.00 0.00 0.00 0.00 27.48 27.88 1gm1 h GLN 80 CO -0.00 -0.17 0.31 0.00 0.00 0.00 0.00 178.83 178.97 1gm1 h ALA 81 N 0.63 0.68 -0.09 3.38 0.00 -1.51 -0.37 119.26 121.97 1gm1 h ALA 81 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1gm1 h ALA 81 Cb 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gm1 h ALA 81 CO -0.08 0.02 0.02 0.28 0.00 0.00 0.00 179.25 179.49 1gm1 h VAL 82 N 0.62 1.19 -0.19 0.00 2.07 -1.50 0.81 116.25 119.25 1gm1 h VAL 82 Ca 0.21 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1gm1 h VAL 82 Cb 0.03 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1gm1 h VAL 82 CO -0.10 0.17 -0.19 -0.33 0.02 0.00 0.00 177.57 177.14 1gm1 h GLU 83 N -0.06 0.33 -0.25 1.57 4.39 -1.12 -1.45 114.58 118.00 1gm1 h GLU 83 Ca 0.03 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1gm1 h GLU 83 Cb 0.24 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1gm1 h GLU 83 CO 0.00 0.52 -0.07 1.15 -1.16 0.00 0.00 179.01 179.45 1gm1 h THR 84 N 0.31 1.29 -0.74 1.13 2.02 -0.84 -2.60 112.91 113.48 1gm1 h THR 84 Ca 0.05 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.18 1gm1 h THR 84 Cb 0.51 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 1gm1 h THR 84 CO 0.03 0.34 0.47 -0.07 0.37 0.00 0.00 175.52 176.66 1gm1 h LEU 85 N 0.22 0.78 -0.71 2.58 3.38 -0.62 -2.68 115.31 118.27 1gm1 h LEU 85 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1gm1 h LEU 85 Cb 0.54 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1gm1 h LEU 85 CO 0.03 0.54 0.00 0.54 0.09 0.00 0.00 178.44 179.64 1gm1 n ARG 86 N -4.63 0.20 -1.09 1.13 1.74 -0.56 -2.50 116.66 110.95 1gm1 n ARG 86 Ca 0.08 0.43 -0.24 0.00 -0.77 0.00 0.00 57.85 57.34 1gm1 n ARG 86 Cb 0.07 -1.88 0.09 0.00 -1.02 0.00 0.00 32.46 29.72 1gm1 n ARG 86 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1gm1 n ASN 87 N -2.25 5.98 -4.70 0.55 2.85 -0.98 -4.91 115.26 111.80 1gm1 n ASN 87 Ca 0.02 -3.41 -0.33 0.00 -0.11 0.00 0.00 54.58 50.75 1gm1 n ASN 87 Cb 0.23 -0.93 -0.08 0.00 1.24 0.00 0.00 39.78 40.24 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 -3.37 4.25 0.00 -0.44 -4.23 -1.04 -5.04 115.64 105.77 1gm1 s THR 88 Ca 0.49 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 1gm1 s THR 88 Cb 0.39 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1gm1 s THR 88 CO 0.02 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 1gm1 n GLY 89 N 1.36 1.47 0.34 3.99 0.00 -1.26 -5.01 105.19 106.08 1gm1 n GLY 89 Ca -0.14 -1.71 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.78 -5.14 1.61 -0.00 -1.97 -3.40 115.11 105.43 1gm1 h GLN 90 Ca 0.00 0.05 -0.62 0.00 -0.00 0.00 0.00 58.65 58.08 1gm1 h GLN 90 Cb 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 27.48 27.50 1gm1 h GLN 90 CO 0.00 -0.50 -0.53 0.08 0.00 0.00 0.00 178.83 177.88 1gm1 s VAL 91 N -5.87 5.13 -0.06 2.39 1.01 -1.26 -1.43 120.40 120.30 1gm1 s VAL 91 Ca -0.17 0.10 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1gm1 s VAL 91 Cb 0.03 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 1gm1 s VAL 91 CO 0.61 0.38 -0.17 -0.69 0.00 0.00 0.00 175.10 175.23 1gm1 s VAL 92 N 0.87 2.83 -0.27 2.92 1.01 0.16 -4.98 120.40 122.94 1gm1 s VAL 92 Ca 0.06 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1gm1 s VAL 92 Cb -0.13 -2.11 0.07 0.00 0.00 0.00 0.00 36.38 34.22 1gm1 s VAL 92 CO 0.03 0.57 -0.02 -2.28 0.00 0.00 0.00 175.10 173.40 1gm1 s HIS 93 N -0.43 2.78 0.30 5.22 2.46 -1.26 -0.58 115.29 123.78 1gm1 s HIS 93 Ca 0.05 -2.14 0.03 0.00 0.47 0.00 0.00 55.06 53.46 1gm1 s HIS 93 Cb -0.12 -1.97 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 1gm1 s HIS 93 CO 0.02 -0.85 0.46 -0.51 -2.47 0.00 0.00 174.74 171.39 1gm1 s LEU 94 N 1.26 4.15 -0.06 8.88 1.43 0.17 -0.18 118.68 134.33 1gm1 s LEU 94 Ca -0.00 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1gm1 s LEU 94 Cb -0.19 -3.09 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1gm1 s LEU 94 CO -0.09 -0.20 -0.14 -0.22 0.23 0.00 0.00 176.35 175.93 1gm1 s LEU 95 N -4.16 1.75 0.22 1.79 2.96 -0.17 -0.82 118.68 120.24 1gm1 s LEU 95 Ca 0.37 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 1gm1 s LEU 95 Cb -0.09 -0.86 -0.01 0.00 0.50 0.00 0.00 46.19 45.72 1gm1 s LEU 95 CO 0.33 0.07 0.36 -1.48 -1.32 0.00 0.00 176.35 174.31 1gm1 s LEU 96 N 0.45 0.64 0.02 -0.68 0.05 -0.96 -1.50 118.68 116.68 1gm1 s LEU 96 Ca -0.11 -1.02 0.07 0.00 0.05 0.00 0.00 54.13 53.12 1gm1 s LEU 96 Cb -0.14 1.33 -0.03 0.00 -2.05 0.00 0.00 46.19 45.30 1gm1 s LEU 96 CO 0.03 -1.02 -0.20 -0.70 -0.55 0.00 0.00 176.35 173.91 1gm1 s GLU 97 N -4.04 2.10 0.51 1.48 2.12 0.55 -2.12 118.70 119.30 1gm1 s GLU 97 Ca 0.25 -0.95 -0.19 0.00 0.36 0.00 0.00 54.97 54.45 1gm1 s GLU 97 Cb 0.02 -2.16 -0.08 0.00 0.26 0.00 0.00 34.13 32.17 1gm1 s GLU 97 CO 0.08 0.55 1.02 0.21 -0.54 0.00 0.00 175.26 176.58 1gm1 s LYS 98 N -1.18 3.77 0.00 4.30 2.47 0.24 -0.89 119.74 128.45 1gm1 s LYS 98 Ca 0.13 1.24 0.00 0.00 -1.56 0.00 0.00 55.97 55.78 1gm1 s LYS 98 Cb -0.10 -2.10 0.00 0.00 -1.46 0.00 0.00 37.83 34.17 1gm1 s LYS 98 CO 0.03 -0.44 0.00 0.41 0.16 0.00 0.00 175.35 175.51 1gm1 n GLY 99 N -0.65 1.87 3.61 5.54 0.00 -1.26 -3.80 105.19 110.50 1gm1 n GLY 99 Ca 0.08 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 1gm1 n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gm1 s GLN 100 N 2.41 -1.11 -0.21 1.61 -2.07 -1.26 -4.68 119.66 114.35 1gm1 s GLN 100 Ca 0.00 -0.09 -0.06 0.00 -1.82 0.00 0.00 55.36 53.39 1gm1 s GLN 100 Cb 0.00 -1.61 -0.03 0.00 -1.09 0.00 0.00 33.01 30.28 1gm1 s GLN 100 CO 0.00 -3.63 0.03 0.08 -1.32 0.00 0.00 175.29 170.44 1gm1 s VAL 101 N -3.06 4.18 -2.00 3.63 1.01 -1.26 -5.04 120.40 117.86 1gm1 s VAL 101 Ca 0.71 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1gm1 s VAL 101 Cb -0.09 -2.91 0.09 0.00 0.00 0.00 0.00 36.38 33.47 1gm1 s VAL 101 CO 0.56 0.41 0.67 -2.65 0.00 0.00 0.00 175.10 174.09