#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 3.12 0.00 1.97 -0.04 -1.26 -3.76 135.00 135.02 1gm1 n PRO 10 Ca 0.00 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 1gm1 n PRO 10 Cb 0.00 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 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 3.77 0.88 3.94 0.55 0.00 -1.23 -4.61 105.19 108.49 1gm1 n GLY 11 Ca 0.66 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.25 5.36 0.26 1.61 2.15 -1.25 -4.78 116.67 119.76 1gm1 s ASP 12 Ca 0.00 0.35 0.07 0.00 0.43 0.00 0.00 52.55 53.40 1gm1 s ASP 12 Cb 0.00 -1.28 -0.03 0.00 -0.30 0.00 0.00 42.92 41.31 1gm1 s ASP 12 CO 0.00 -1.14 0.24 0.42 -0.17 0.00 0.00 175.17 174.51 1gm1 s THR 13 N -2.90 4.43 -0.08 1.71 -4.23 -1.26 -0.70 115.64 112.61 1gm1 s THR 13 Ca 0.55 -1.33 -0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1gm1 s THR 13 Cb -0.10 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.32 1gm1 s THR 13 CO 0.42 -0.32 0.21 -0.36 -0.54 0.00 0.00 174.62 174.03 1gm1 s PHE 14 N -2.14 -0.24 -0.10 3.99 0.40 -0.04 -4.94 117.98 114.91 1gm1 s PHE 14 Ca 0.34 0.58 -0.17 0.00 -0.60 0.00 0.00 56.93 57.08 1gm1 s PHE 14 Cb -0.08 0.07 -0.05 0.00 0.51 0.00 0.00 43.02 43.48 1gm1 s PHE 14 CO 0.26 -0.12 0.45 -1.21 0.70 0.00 0.00 175.22 175.30 1gm1 s GLU 15 N 0.21 4.27 -0.22 0.44 2.02 -1.26 -1.41 118.70 122.75 1gm1 s GLU 15 Ca -0.01 0.42 0.02 0.00 0.02 0.00 0.00 54.97 55.42 1gm1 s GLU 15 Cb -0.02 -3.40 0.04 0.00 0.10 0.00 0.00 34.13 30.85 1gm1 s GLU 15 CO -0.00 0.25 -0.15 0.08 0.02 0.00 0.00 175.26 175.46 1gm1 s VAL 16 N 0.32 2.16 -0.68 2.63 1.01 -0.51 -4.99 120.40 120.33 1gm1 s VAL 16 Ca 0.25 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.88 1gm1 s VAL 16 Cb -0.15 -2.09 0.18 0.00 0.00 0.00 0.00 36.38 34.32 1gm1 s VAL 16 CO 0.10 0.25 0.55 -1.61 0.00 0.00 0.00 175.10 174.40 1gm1 s GLU 17 N 1.20 2.93 -0.07 2.72 2.02 -1.26 -0.58 118.70 125.67 1gm1 s GLU 17 Ca -0.02 -2.44 0.04 0.00 0.02 0.00 0.00 54.97 52.57 1gm1 s GLU 17 Cb -0.16 -4.00 -0.00 0.00 0.10 0.00 0.00 34.13 30.07 1gm1 s GLU 17 CO -0.09 -1.22 -0.20 -1.17 0.02 0.00 0.00 175.26 172.60 1gm1 s LEU 18 N 0.14 1.96 -0.06 1.80 2.96 0.02 -4.89 118.68 120.61 1gm1 s LEU 18 Ca 0.16 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.50 1gm1 s LEU 18 Cb -0.17 -1.17 -0.05 0.00 0.50 0.00 0.00 46.19 45.29 1gm1 s LEU 18 CO -0.05 0.16 0.33 0.00 -1.32 0.00 0.00 176.35 175.47 1gm1 s ALA 19 N 0.19 3.71 0.50 5.97 0.00 -1.26 0.41 121.76 131.28 1gm1 s ALA 19 Ca -0.10 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.30 1gm1 s ALA 19 Cb -0.15 -2.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 1gm1 s ALA 19 CO 0.05 0.43 1.14 0.15 0.00 0.00 0.00 175.76 177.52 1gm1 s LYS 20 N -0.74 3.56 -0.22 0.00 1.02 -0.33 -4.83 119.74 118.19 1gm1 s LYS 20 Ca 0.21 1.66 -0.03 0.00 0.02 0.00 0.00 55.97 57.83 1gm1 s LYS 20 Cb -0.15 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1gm1 s LYS 20 CO 0.10 -0.69 -0.06 0.95 -0.92 0.00 0.00 175.35 174.72 1gm1 s THR 21 N -1.69 3.11 -1.66 2.17 -4.23 -0.11 -4.60 115.64 108.63 1gm1 s THR 21 Ca 0.68 -0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 60.50 1gm1 s THR 21 Cb -0.25 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1gm1 s THR 21 CO 0.30 0.38 0.29 -0.67 -0.54 0.00 0.00 174.62 174.38 1gm1 n ASP 22 N 4.75 -5.95 -0.25 3.99 2.03 -1.26 -1.29 116.55 118.56 1gm1 n ASP 22 Ca -0.18 -0.15 -0.03 0.00 0.52 0.00 0.00 54.79 54.95 1gm1 n ASP 22 Cb 0.50 -4.88 -0.01 0.00 -0.72 0.00 0.00 41.12 36.00 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 -1.25 0.61 3.31 0.27 0.00 -1.26 -5.03 105.19 101.84 1gm1 n GLY 23 Ca -0.18 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.43 2.94 -0.12 1.61 1.04 -0.41 -5.04 113.70 111.29 1gm1 s SER 24 Ca 0.00 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 55.81 1gm1 s SER 24 Cb 0.00 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 1gm1 s SER 24 CO 0.00 0.23 -0.09 -0.07 0.98 0.00 0.00 173.24 174.28 1gm1 h LEU 25 N 4.81 0.00 0.00 2.42 3.38 -1.94 -0.26 115.31 123.72 1gm1 h LEU 25 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1gm1 h LEU 25 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1gm1 h LEU 25 CO 0.44 0.61 0.00 0.61 0.09 0.00 0.00 178.44 180.19 1gm1 n GLY 26 N 1.70 0.95 2.95 0.83 0.00 -1.26 0.01 105.19 110.36 1gm1 n GLY 26 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 1gm1 n GLY 26 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gm1 s ILE 27 N -0.73 0.05 -0.08 -0.61 2.07 -1.26 -0.84 121.20 119.81 1gm1 s ILE 27 Ca 0.00 -0.41 0.04 0.00 -1.41 0.00 0.00 60.65 58.87 1gm1 s ILE 27 Cb 0.00 -0.16 -0.01 0.00 0.13 0.00 0.00 42.46 42.42 1gm1 s ILE 27 CO 0.00 -0.23 -0.22 -0.55 -1.91 0.00 0.00 174.94 172.03 1gm1 s SER 28 N -0.68 3.26 0.33 4.50 0.15 -0.24 -4.93 113.70 116.10 1gm1 s SER 28 Ca -0.07 -0.48 0.08 0.00 0.70 0.00 0.00 55.95 56.17 1gm1 s SER 28 Cb -0.05 -1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 63.11 1gm1 s SER 28 CO -0.00 0.22 0.22 0.68 1.20 0.00 0.00 173.24 175.55 1gm1 s VAL 29 N 0.02 3.38 0.34 4.45 -7.23 -1.26 -1.07 120.40 119.03 1gm1 s VAL 29 Ca -0.08 -1.51 -0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1gm1 s VAL 29 Cb -0.15 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.68 1gm1 s VAL 29 CO 0.05 -0.19 0.47 0.28 -0.31 0.00 0.00 175.10 175.40 1gm1 s THR 30 N -2.34 0.00 0.00 5.32 -1.32 0.23 -4.66 115.64 112.87 1gm1 s THR 30 Ca 0.39 -1.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 1gm1 s THR 30 Cb -0.05 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 1gm1 s THR 30 CO 0.25 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.27 1gm1 n GLY 31 N -0.56 -1.77 0.00 6.08 0.00 -1.26 -0.45 105.19 107.22 1gm1 n GLY 31 Ca 0.01 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 2.07 0.30 -0.02 0.00 0.14 -3.70 105.19 103.99 1gm1 n GLY 32 Ca 0.00 -2.00 0.19 0.00 0.00 0.00 0.00 46.02 44.21 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 0.04 -0.02 1.61 2.07 -1.85 -2.68 116.25 115.41 1gm1 h VAL 33 Ca 0.00 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1gm1 h VAL 33 Cb 0.00 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1gm1 h VAL 33 CO 0.00 0.01 -0.31 -0.55 0.02 0.00 0.00 177.57 176.74 1gm1 h ASN 34 N 0.00 0.04 -1.79 0.57 -1.07 -1.88 -3.45 115.58 108.01 1gm1 h ASN 34 Ca -0.00 -0.01 -0.57 0.00 0.07 0.00 0.00 56.30 55.78 1gm1 h ASN 34 Cb 0.29 -0.01 -0.09 0.00 -2.07 0.00 0.00 38.32 36.43 1gm1 h ASN 34 CO 0.00 0.36 -0.56 0.28 0.07 0.00 0.00 177.43 177.58 1gm1 s THR 35 N -4.33 2.57 -0.12 6.14 -1.32 -1.01 -5.04 115.64 112.53 1gm1 s THR 35 Ca -0.03 -1.82 0.00 0.00 -1.21 0.00 0.00 61.69 58.62 1gm1 s THR 35 Cb 0.15 -2.91 0.11 0.00 -1.51 0.00 0.00 72.50 68.33 1gm1 s THR 35 CO 0.72 -0.12 1.71 -1.20 -2.21 0.00 0.00 174.62 173.53 1gm1 n SER 36 N -1.09 4.87 -4.39 8.08 7.64 -1.26 -4.76 113.62 122.70 1gm1 n SER 36 Ca -0.03 -2.56 -0.29 0.00 1.01 0.00 0.00 58.87 57.00 1gm1 n SER 36 Cb 0.63 -0.91 0.15 0.00 -1.01 0.00 0.00 64.21 63.07 1gm1 n SER 36 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1gm1 s VAL 37 N -0.88 2.04 -0.52 0.44 -7.23 -1.26 -4.95 120.40 108.04 1gm1 s VAL 37 Ca 0.13 -0.09 -0.28 0.00 -1.81 0.00 0.00 61.98 59.93 1gm1 s VAL 37 Cb 0.10 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 1gm1 s VAL 37 CO 0.01 0.00 1.66 -0.60 -0.31 0.00 0.00 175.10 175.85 1gm1 s ARG 38 N -5.70 3.10 -1.36 4.82 3.00 -1.26 -4.27 118.95 117.28 1gm1 s ARG 38 Ca 0.70 0.76 -0.04 0.00 -1.00 0.00 0.00 55.73 56.15 1gm1 s ARG 38 Cb -0.06 -4.23 -0.00 0.00 0.00 0.00 0.00 34.95 30.67 1gm1 s ARG 38 CO 0.51 -2.17 0.49 1.58 0.00 0.00 0.00 175.30 175.71 1gm1 n HIS 39 N 10.77 -1.68 -2.80 5.12 -0.00 -1.26 -3.18 115.22 122.18 1gm1 n HIS 39 Ca 0.18 0.68 -0.09 0.00 -0.00 0.00 0.00 57.72 58.48 1gm1 n HIS 39 Cb 0.49 -3.68 0.04 0.00 -0.00 0.00 0.00 29.99 26.85 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 -1.94 0.15 3.75 1.57 0.00 -1.26 -5.04 105.19 102.42 1gm1 n GLY 40 Ca -0.27 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.42 1.96 -0.21 -0.02 0.00 -1.19 -4.80 107.32 99.64 1gm1 s GLY 41 Ca 0.11 -0.76 -0.12 0.00 0.00 0.00 0.00 44.72 43.96 1gm1 s GLY 41 CO 0.34 -0.52 0.20 -0.42 0.00 0.00 0.00 173.10 172.70 1gm1 s ILE 42 N -0.94 5.35 0.16 0.90 -1.09 -1.26 -0.68 121.20 123.64 1gm1 s ILE 42 Ca 0.14 0.31 0.07 0.00 -2.23 0.00 0.00 60.65 58.94 1gm1 s ILE 42 Cb -0.12 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1gm1 s ILE 42 CO 0.03 0.38 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.67 1gm1 s TYR 43 N 0.72 1.56 -0.15 3.97 2.02 0.40 -0.67 117.35 125.20 1gm1 s TYR 43 Ca 0.11 -0.58 -0.29 0.00 -0.37 0.00 0.00 57.07 55.93 1gm1 s TYR 43 Cb -0.13 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.65 1gm1 s TYR 43 CO 0.02 0.24 1.25 0.08 -1.57 0.00 0.00 175.55 175.57 1gm1 s VAL 44 N -2.64 4.29 -0.20 0.71 1.01 -0.24 -0.60 120.40 122.74 1gm1 s VAL 44 Ca 0.16 1.57 -0.19 0.00 0.00 0.00 0.00 61.98 63.53 1gm1 s VAL 44 Cb -0.02 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.19 1gm1 s VAL 44 CO 0.05 -0.12 0.09 1.17 0.00 0.00 0.00 175.10 176.28 1gm1 n LYS 45 N 6.43 0.54 -3.69 2.72 3.00 -0.23 -1.42 118.16 125.50 1gm1 n LYS 45 Ca 0.13 0.54 -0.12 0.00 -0.00 0.00 0.00 58.31 58.86 1gm1 n LYS 45 Cb 0.45 -1.71 -0.07 0.00 0.00 0.00 0.00 35.03 33.70 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 -2.45 -0.90 -0.17 3.14 0.00 -0.97 -4.81 121.76 115.60 1gm1 s ALA 46 Ca -0.27 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 1gm1 s ALA 46 Cb 0.06 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.51 1gm1 s ALA 46 CO 0.51 -0.44 -0.14 -1.50 0.00 0.00 0.00 175.76 174.19 1gm1 s ILE 47 N -2.49 2.69 -0.16 0.00 1.10 -1.26 -1.08 121.20 120.01 1gm1 s ILE 47 Ca -0.05 -0.75 -0.29 0.00 -0.51 0.00 0.00 60.65 59.04 1gm1 s ILE 47 Cb -0.01 -2.15 -0.01 0.00 0.15 0.00 0.00 42.46 40.44 1gm1 s ILE 47 CO -0.03 0.51 1.18 -0.63 -2.11 0.00 0.00 174.94 173.86 1gm1 s ILE 48 N 0.95 4.40 0.05 2.00 -1.09 -0.02 -4.96 121.20 122.54 1gm1 s ILE 48 Ca -0.03 1.70 -0.32 0.00 -2.23 0.00 0.00 60.65 59.77 1gm1 s ILE 48 Cb -0.15 -4.10 -0.11 0.00 -1.58 0.00 0.00 42.46 36.52 1gm1 s ILE 48 CO -0.02 -0.11 1.84 -2.65 -1.23 0.00 0.00 174.94 172.77 1gm1 n PRO 49 N 6.18 2.53 -1.68 2.79 -0.02 -1.26 -2.04 135.00 141.50 1gm1 n PRO 49 Ca 0.13 0.92 -0.03 0.00 -2.02 0.00 0.00 63.50 62.50 1gm1 n PRO 49 Cb 0.46 -2.80 -0.01 0.00 -0.02 0.00 0.00 33.50 31.13 1gm1 n PRO 49 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1gm1 n LYS 50 N 5.98 -0.25 -2.10 -0.52 5.02 -1.26 -5.07 118.16 119.95 1gm1 n LYS 50 Ca 0.20 0.34 -0.27 0.00 -2.02 0.00 0.00 58.31 56.56 1gm1 n LYS 50 Cb 0.34 -4.01 0.07 0.00 -0.02 0.00 0.00 35.03 31.41 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 -2.90 1.65 0.12 0.72 0.00 -0.87 -4.94 107.32 101.10 1gm1 s GLY 51 Ca 0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 44.72 43.62 1gm1 s GLY 51 CO 0.00 -0.36 1.57 0.00 0.00 0.00 0.00 173.10 174.31 1gm1 h ALA 52 N -0.71 -0.82 -0.16 3.20 0.00 -1.13 -2.29 119.26 117.34 1gm1 h ALA 52 Ca -0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1gm1 h ALA 52 Cb 1.31 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 1gm1 h ALA 52 CO 0.62 -1.04 0.04 0.00 0.00 0.00 0.00 179.25 178.87 1gm1 h ALA 53 N -0.24 0.22 -0.41 0.00 0.00 -0.70 -2.69 119.26 115.44 1gm1 h ALA 53 Ca 0.03 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1gm1 h ALA 53 Cb 0.70 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1gm1 h ALA 53 CO -0.35 -0.14 -0.52 1.49 0.00 0.00 0.00 179.25 179.73 1gm1 h GLU 54 N 0.07 -0.36 0.00 0.00 4.22 -1.68 -2.91 114.58 113.92 1gm1 h GLU 54 Ca 0.05 0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.44 1gm1 h GLU 54 Cb 0.26 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1gm1 h GLU 54 CO 0.00 -0.24 -0.38 1.03 -2.18 0.00 0.00 179.01 177.24 1gm1 h SER 55 N -0.38 0.00 0.07 1.04 0.87 -1.44 -3.33 113.55 110.38 1gm1 h SER 55 Ca 0.09 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1gm1 h SER 55 Cb 0.60 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 1gm1 h SER 55 CO -0.60 0.38 -0.40 -0.78 -0.53 0.00 0.00 176.83 174.91 1gm1 h ASP 56 N 0.00 -1.20 0.00 6.23 3.58 -1.26 -3.48 116.42 120.29 1gm1 h ASP 56 Ca -0.00 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1gm1 h ASP 56 Cb 0.78 0.45 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1gm1 h ASP 56 CO 0.05 -0.41 0.00 0.61 -2.88 0.00 0.00 179.24 176.61 1gm1 n GLY 57 N -1.36 3.61 0.27 -0.78 0.00 -1.25 -4.95 105.19 100.75 1gm1 n GLY 57 Ca -0.06 -0.95 0.18 0.00 0.00 0.00 0.00 46.02 45.18 1gm1 n GLY 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1gm1 h ARG 58 N 0.00 0.00 -5.06 1.61 2.43 -1.92 -3.38 114.38 108.06 1gm1 h ARG 58 Ca 0.00 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.52 1gm1 h ARG 58 Cb 0.00 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.39 1gm1 h ARG 58 CO 0.00 0.00 -0.25 0.42 -1.51 0.00 0.00 179.97 178.63 1gm1 s ILE 59 N -3.76 5.16 0.27 1.20 1.01 -1.26 -5.03 121.20 118.78 1gm1 s ILE 59 Ca -0.01 0.28 0.11 0.00 0.00 0.00 0.00 60.65 61.04 1gm1 s ILE 59 Cb 0.10 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1gm1 s ILE 59 CO 0.46 -0.00 -0.16 -1.00 0.00 0.00 0.00 174.94 174.24 1gm1 s HIS 60 N 2.07 2.37 0.17 3.97 3.76 -1.26 -4.91 115.29 121.47 1gm1 s HIS 60 Ca 0.14 -0.31 -0.32 0.00 -0.15 0.00 0.00 55.06 54.42 1gm1 s HIS 60 Cb -0.16 -1.05 -0.11 0.00 1.11 0.00 0.00 32.58 32.38 1gm1 s HIS 60 CO 0.11 0.68 1.66 0.21 -0.85 0.00 0.00 174.74 176.55 1gm1 s LYS 61 N -3.46 4.17 0.00 1.40 2.20 -1.26 -2.32 119.74 120.47 1gm1 s LYS 61 Ca 0.29 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 1gm1 s LYS 61 Cb -0.06 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1gm1 s LYS 61 CO 0.16 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1gm1 n GLY 62 N 3.91 0.71 3.83 5.54 0.00 -0.51 -4.93 105.19 113.73 1gm1 n GLY 62 Ca 0.15 0.00 -0.33 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 -2.99 6.73 -0.16 1.61 1.01 -0.98 -4.19 116.67 117.69 1gm1 s ASP 63 Ca 0.00 1.65 -0.06 0.00 0.71 0.00 0.00 52.55 54.85 1gm1 s ASP 63 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1gm1 s ASP 63 CO 0.00 -0.51 0.03 -0.60 0.21 0.00 0.00 175.17 174.30 1gm1 s ARG 64 N -3.63 3.80 0.08 8.23 3.52 -0.10 -1.07 118.95 129.78 1gm1 s ARG 64 Ca 0.61 -0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 55.58 1gm1 s ARG 64 Cb -0.10 -3.10 -0.06 0.00 -1.56 0.00 0.00 34.95 30.13 1gm1 s ARG 64 CO 0.23 0.32 0.73 0.08 -0.81 0.00 0.00 175.30 175.85 1gm1 s VAL 65 N 0.21 4.63 -0.13 7.11 1.01 0.16 -0.19 120.40 133.20 1gm1 s VAL 65 Ca 0.02 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.47 1gm1 s VAL 65 Cb -0.13 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1gm1 s VAL 65 CO 0.01 0.44 -0.25 0.18 0.00 0.00 0.00 175.10 175.48 1gm1 n LEU 66 N 2.30 1.59 -3.73 3.92 4.32 -0.88 -4.56 117.00 119.96 1gm1 n LEU 66 Ca -0.05 0.26 -0.12 0.00 -0.02 0.00 0.00 56.01 56.08 1gm1 n LEU 66 Cb 0.50 -0.61 -0.11 0.00 -1.62 0.00 0.00 43.42 41.59 1gm1 n LEU 66 CO 0.46 -0.14 0.05 0.00 -1.22 0.00 0.00 177.39 176.54 1gm1 s ALA 67 N -2.54 -0.96 -0.17 -1.18 0.00 -0.40 -1.64 121.76 114.88 1gm1 s ALA 67 Ca -0.23 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 1gm1 s ALA 67 Cb 0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1gm1 s ALA 67 CO 0.32 -0.20 -0.10 0.08 0.00 0.00 0.00 175.76 175.85 1gm1 s VAL 68 N 0.53 3.13 -0.65 0.00 1.01 -0.55 -0.62 120.40 123.25 1gm1 s VAL 68 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1gm1 s VAL 68 Cb -0.04 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1gm1 s VAL 68 CO -0.03 0.49 0.00 -3.20 0.00 0.00 0.00 175.10 172.36 1gm1 n ASN 69 N 4.04 -4.70 0.00 3.32 4.05 0.16 -0.97 115.26 121.16 1gm1 n ASN 69 Ca -0.18 0.15 0.00 0.00 0.45 0.00 0.00 54.58 55.00 1gm1 n ASN 69 Cb 0.52 -2.74 0.00 0.00 1.23 0.00 0.00 39.78 38.79 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 -0.95 1.26 3.45 8.20 0.00 -1.26 -5.01 105.19 110.88 1gm1 n GLY 70 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.26 4.78 -0.01 1.61 1.01 -0.15 -5.03 120.40 120.36 1gm1 s VAL 71 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1gm1 s VAL 71 Cb 0.00 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1gm1 s VAL 71 CO 0.00 -0.90 1.23 -0.55 0.00 0.00 0.00 175.10 174.88 1gm1 s SER 72 N 2.83 7.03 -0.86 3.32 0.15 -1.26 -1.49 113.70 123.42 1gm1 s SER 72 Ca 0.17 1.93 -0.07 0.00 0.70 0.00 0.00 55.95 58.68 1gm1 s SER 72 Cb -0.19 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 61.47 1gm1 s SER 72 CO 0.12 -0.57 3.05 0.18 1.20 0.00 0.00 173.24 177.22 1gm1 n LEU 73 N 4.83 7.14 -4.67 3.45 4.77 -0.65 -4.94 117.00 126.93 1gm1 n LEU 73 Ca 0.11 -4.03 -0.42 0.00 -0.03 0.00 0.00 56.01 51.63 1gm1 n LEU 73 Cb 0.46 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 1gm1 n LEU 73 CO 0.56 1.90 1.16 -1.83 -1.33 0.00 0.00 177.39 177.85 1gm1 s GLU 74 N 0.59 4.24 0.00 3.23 -1.05 -1.26 -2.72 118.70 121.73 1gm1 s GLU 74 Ca 0.64 1.91 0.00 0.00 -0.15 0.00 0.00 54.97 57.38 1gm1 s GLU 74 Cb 0.26 -3.74 0.00 0.00 -0.44 0.00 0.00 34.13 30.21 1gm1 s GLU 74 CO -0.07 -0.68 0.00 0.41 0.95 0.00 0.00 175.26 175.87 1gm1 n GLY 75 N 3.75 0.55 3.76 -3.83 0.00 -1.26 -4.97 105.19 103.18 1gm1 n GLY 75 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.45 3.40 0.71 4.61 0.00 -1.10 -4.78 121.76 122.15 1gm1 s ALA 76 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1gm1 s ALA 76 Cb 0.00 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.87 1gm1 s ALA 76 CO 0.00 -0.35 0.98 0.95 0.00 0.00 0.00 175.76 177.34 1gm1 s THR 77 N -1.20 2.08 0.14 0.00 -4.23 -1.26 -3.18 115.64 107.99 1gm1 s THR 77 Ca 0.47 -0.67 -0.18 0.00 -1.18 0.00 0.00 61.69 60.14 1gm1 s THR 77 Cb -0.34 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 1gm1 s THR 77 CO 0.44 0.00 1.75 -0.74 -0.54 0.00 0.00 174.62 175.53 1gm1 h HIS 78 N -0.46 0.17 -0.76 3.99 2.76 -1.89 -2.72 115.15 116.23 1gm1 h HIS 78 Ca -0.34 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 57.91 1gm1 h HIS 78 Cb 1.27 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 30.13 1gm1 h HIS 78 CO -0.15 0.07 0.45 -0.22 -1.30 0.00 0.00 177.93 176.78 1gm1 h LYS 79 N 0.22 0.79 0.02 5.26 1.63 -1.96 -2.49 116.57 120.03 1gm1 h LYS 79 Ca 0.13 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1gm1 h LYS 79 Cb 0.10 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1gm1 h LYS 79 CO -0.14 0.52 -0.03 1.96 -3.45 0.00 0.00 179.45 178.31 1gm1 h GLN 80 N 0.81 -0.06 -0.83 1.90 7.50 -1.88 0.17 115.11 122.72 1gm1 h GLN 80 Ca 0.34 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.50 1gm1 h GLN 80 Cb 0.21 0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.71 1gm1 h GLN 80 CO -0.19 -0.04 0.53 0.00 -1.50 0.00 0.00 178.83 177.63 1gm1 h ALA 81 N 0.92 1.38 -0.19 3.87 0.00 -1.43 -0.34 119.26 123.48 1gm1 h ALA 81 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1gm1 h ALA 81 Cb 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1gm1 h ALA 81 CO -0.02 0.56 -0.01 0.28 0.00 0.00 0.00 179.25 180.06 1gm1 h VAL 82 N 1.13 1.26 -0.38 0.00 2.07 -1.19 0.92 116.25 120.05 1gm1 h VAL 82 Ca 0.30 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1gm1 h VAL 82 Cb -0.11 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1gm1 h VAL 82 CO -0.06 0.27 0.04 -0.33 0.02 0.00 0.00 177.57 177.50 1gm1 h GLU 83 N 0.08 0.15 -0.28 1.57 4.39 -0.29 0.59 114.58 120.77 1gm1 h GLU 83 Ca 0.05 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1gm1 h GLU 83 Cb 0.40 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1gm1 h GLU 83 CO 0.01 0.10 0.06 1.15 -1.16 0.00 0.00 179.01 179.17 1gm1 h THR 84 N 0.15 1.22 -0.31 1.13 2.02 -1.07 -2.25 112.91 113.80 1gm1 h THR 84 Ca 0.18 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1gm1 h THR 84 Cb 0.24 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1gm1 h THR 84 CO -0.27 0.24 -0.02 -0.07 0.37 0.00 0.00 175.52 175.77 1gm1 h LEU 85 N 0.29 0.45 -0.95 2.58 3.38 -0.48 -2.47 115.31 118.11 1gm1 h LEU 85 Ca 0.09 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1gm1 h LEU 85 Cb 0.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1gm1 h LEU 85 CO 0.00 0.54 -0.02 0.03 0.09 0.00 0.00 178.44 179.08 1gm1 h ARG 86 N 0.46 0.74 -1.88 1.13 3.08 -0.82 -3.21 114.38 113.88 1gm1 h ARG 86 Ca 0.10 -0.20 -0.32 0.00 0.07 0.00 0.00 59.98 59.63 1gm1 h ARG 86 Cb 0.34 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.18 1gm1 h ARG 86 CO 0.01 0.77 0.16 -1.71 -1.07 0.00 0.00 179.97 178.13 1gm1 n ASN 87 N -4.22 6.04 -4.77 7.04 2.85 -0.85 -4.87 115.26 116.48 1gm1 n ASN 87 Ca 0.02 -2.90 -0.25 0.00 -0.11 0.00 0.00 54.58 51.34 1gm1 n ASN 87 Cb 0.30 -1.22 -0.06 0.00 1.24 0.00 0.00 39.78 40.04 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 -1.21 4.27 0.00 -0.44 -4.23 -1.22 -4.97 115.64 107.85 1gm1 s THR 88 Ca 0.47 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 1gm1 s THR 88 Cb 0.29 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1gm1 s THR 88 CO -0.09 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1gm1 n GLY 89 N -0.47 0.91 0.19 3.99 0.00 -1.26 -5.03 105.19 103.52 1gm1 n GLY 89 Ca -0.08 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 1gm1 n GLY 89 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gm1 h GLN 90 N 0.00 -0.36 -5.64 1.61 1.08 -1.98 -3.42 115.11 106.40 1gm1 h GLN 90 Ca 0.00 0.02 -0.58 0.00 -1.45 0.00 0.00 58.65 56.64 1gm1 h GLN 90 Cb 0.00 0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 27.43 1gm1 h GLN 90 CO 0.00 -0.02 -0.23 0.08 -0.95 0.00 0.00 178.83 177.71 1gm1 s VAL 91 N -4.23 5.23 -0.18 -0.54 1.01 -1.26 -1.19 120.40 119.25 1gm1 s VAL 91 Ca -0.13 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1gm1 s VAL 91 Cb 0.02 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1gm1 s VAL 91 CO 0.51 0.37 -0.18 -0.69 0.00 0.00 0.00 175.10 175.11 1gm1 s VAL 92 N 0.42 2.31 -0.37 2.92 1.01 0.17 -4.94 120.40 121.92 1gm1 s VAL 92 Ca 0.21 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 1gm1 s VAL 92 Cb -0.14 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 1gm1 s VAL 92 CO 0.07 0.52 0.37 -1.00 0.00 0.00 0.00 175.10 175.07 1gm1 s HIS 93 N 1.20 3.20 0.18 5.22 3.76 -1.26 -0.79 115.29 126.80 1gm1 s HIS 93 Ca 0.02 -0.15 0.06 0.00 -0.15 0.00 0.00 55.06 54.84 1gm1 s HIS 93 Cb -0.14 -2.72 -0.04 0.00 1.11 0.00 0.00 32.58 30.80 1gm1 s HIS 93 CO -0.09 -0.51 0.13 -0.51 -0.85 0.00 0.00 174.74 172.92 1gm1 s LEU 94 N 2.02 3.76 -0.08 0.89 1.43 0.26 -0.66 118.68 126.30 1gm1 s LEU 94 Ca 0.11 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1gm1 s LEU 94 Cb -0.17 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.70 1gm1 s LEU 94 CO 0.12 0.05 -0.14 -0.22 0.23 0.00 0.00 176.35 176.39 1gm1 s LEU 95 N -3.21 1.69 0.21 1.79 2.96 0.21 -1.42 118.68 120.91 1gm1 s LEU 95 Ca 0.31 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1gm1 s LEU 95 Cb -0.10 -0.94 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 1gm1 s LEU 95 CO 0.23 0.04 0.20 -1.48 -1.32 0.00 0.00 176.35 174.02 1gm1 s LEU 96 N 0.72 1.00 0.04 -0.68 0.05 -0.50 -1.27 118.68 118.04 1gm1 s LEU 96 Ca -0.13 -1.31 0.06 0.00 0.05 0.00 0.00 54.13 52.81 1gm1 s LEU 96 Cb -0.16 0.65 -0.03 0.00 -2.05 0.00 0.00 46.19 44.60 1gm1 s LEU 96 CO 0.03 -0.90 -0.15 -0.70 -0.55 0.00 0.00 176.35 174.08 1gm1 s GLU 97 N -4.12 2.16 0.24 1.48 2.12 0.73 -0.86 118.70 120.46 1gm1 s GLU 97 Ca 0.36 -0.94 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 1gm1 s GLU 97 Cb 0.05 -2.26 -0.09 0.00 0.26 0.00 0.00 34.13 32.09 1gm1 s GLU 97 CO 0.12 0.55 1.07 0.21 -0.54 0.00 0.00 175.26 176.66 1gm1 s LYS 98 N -1.56 4.67 0.17 4.30 2.47 0.12 -0.93 119.74 128.99 1gm1 s LYS 98 Ca 0.16 1.71 -0.31 0.00 -1.56 0.00 0.00 55.97 55.97 1gm1 s LYS 98 Cb -0.11 -3.24 -0.10 0.00 -1.46 0.00 0.00 37.83 32.93 1gm1 s LYS 98 CO 0.07 0.23 1.57 0.20 0.16 0.00 0.00 175.35 177.58 1gm1 s GLY 99 N -0.69 1.59 -0.10 5.54 0.00 -1.26 -3.48 107.32 108.91 1gm1 s GLY 99 Ca 0.45 1.38 -0.03 0.00 0.00 0.00 0.00 44.72 46.52 1gm1 s GLY 99 CO 0.37 2.62 -0.06 1.46 0.00 0.00 0.00 173.10 177.50 1gm1 h GLN 100 N 6.70 0.00 -5.84 2.90 4.20 -1.83 -3.42 115.11 117.82 1gm1 h GLN 100 Ca -0.43 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 57.65 1gm1 h GLN 100 Cb 1.20 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.93 1gm1 h GLN 100 CO 0.91 0.00 -0.43 0.14 -0.67 0.00 0.00 178.83 178.78 1gm1 s VAL 101 N -1.70 5.37 -2.00 -0.54 -7.23 -1.26 -4.89 120.40 108.15 1gm1 s VAL 101 Ca -0.05 0.10 0.13 0.00 -1.81 0.00 0.00 61.98 60.35 1gm1 s VAL 101 Cb 0.01 -3.54 0.37 0.00 0.56 0.00 0.00 36.38 33.78 1gm1 s VAL 101 CO 0.07 0.40 1.20 -2.65 -0.31 0.00 0.00 175.10 173.81