#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 -0.46 0.00 1.97 0.04 -1.26 -4.84 135.00 130.45 1gm1 s PRO 10 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1gm1 s PRO 10 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1gm1 s PRO 10 CO 0.00 -3.16 0.00 0.41 0.04 0.00 0.00 177.00 174.29 1gm1 n GLY 11 N -2.40 1.18 3.94 0.56 0.00 -1.26 -4.79 105.19 102.42 1gm1 n GLY 11 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 6.35 0.10 1.61 2.15 -1.26 -4.75 116.67 118.87 1gm1 s ASP 12 Ca 0.00 0.42 -0.04 0.00 0.43 0.00 0.00 52.55 53.36 1gm1 s ASP 12 Cb 0.00 -2.02 -0.05 0.00 -0.30 0.00 0.00 42.92 40.55 1gm1 s ASP 12 CO 0.00 -0.17 0.32 0.42 -0.17 0.00 0.00 175.17 175.57 1gm1 s THR 13 N -2.10 5.24 -0.07 1.71 -4.23 -1.26 -1.51 115.64 113.42 1gm1 s THR 13 Ca 0.39 -0.06 -0.11 0.00 -1.18 0.00 0.00 61.69 60.74 1gm1 s THR 13 Cb -0.10 -3.62 0.02 0.00 1.34 0.00 0.00 72.50 70.14 1gm1 s THR 13 CO 0.32 0.11 0.27 0.72 -0.54 0.00 0.00 174.62 175.50 1gm1 s PHE 14 N -1.57 -0.23 -0.19 3.99 -0.71 -0.30 -5.00 117.98 113.96 1gm1 s PHE 14 Ca 0.38 0.53 -0.08 0.00 -1.04 0.00 0.00 56.93 56.71 1gm1 s PHE 14 Cb -0.13 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1gm1 s PHE 14 CO 0.24 -0.22 0.09 -1.21 -1.34 0.00 0.00 175.22 172.78 1gm1 s GLU 15 N -0.38 4.04 -0.36 1.99 8.01 -1.26 -1.56 118.70 129.17 1gm1 s GLU 15 Ca -0.05 -0.31 0.02 0.00 0.01 0.00 0.00 54.97 54.65 1gm1 s GLU 15 Cb -0.03 -3.29 0.11 0.00 -4.31 0.00 0.00 34.13 26.60 1gm1 s GLU 15 CO 0.01 0.26 0.11 0.08 0.01 0.00 0.00 175.26 175.74 1gm1 s VAL 16 N 0.42 1.76 -1.13 2.63 1.01 0.40 -4.99 120.40 120.50 1gm1 s VAL 16 Ca 0.05 -2.18 -0.09 0.00 0.00 0.00 0.00 61.98 59.76 1gm1 s VAL 16 Cb -0.12 -2.29 0.26 0.00 0.00 0.00 0.00 36.38 34.23 1gm1 s VAL 16 CO -0.00 -0.68 1.29 -0.62 0.00 0.00 0.00 175.10 175.09 1gm1 n GLU 17 N 4.23 3.73 -4.98 2.72 1.02 -1.26 -0.02 120.64 126.09 1gm1 n GLU 17 Ca 0.03 -4.33 -0.29 0.00 -0.02 0.00 0.00 57.16 52.54 1gm1 n GLU 17 Cb 0.40 -2.64 -0.17 0.00 -0.02 0.00 0.00 31.44 29.01 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 -1.13 1.92 0.23 -4.62 0.20 -0.65 -4.89 118.68 109.74 1gm1 s LEU 18 Ca 0.33 -0.45 -0.02 0.00 0.69 0.00 0.00 54.13 54.68 1gm1 s LEU 18 Cb -0.04 -1.18 -0.04 0.00 -0.43 0.00 0.00 46.19 44.49 1gm1 s LEU 18 CO -0.02 0.12 0.43 0.00 -0.29 0.00 0.00 176.35 176.59 1gm1 s ALA 19 N 0.42 3.78 0.60 5.97 0.00 -1.26 -1.68 121.76 129.58 1gm1 s ALA 19 Ca -0.16 -0.77 -0.18 0.00 0.00 0.00 0.00 51.96 50.85 1gm1 s ALA 19 Cb -0.17 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 1gm1 s ALA 19 CO 0.07 0.37 1.13 0.15 0.00 0.00 0.00 175.76 177.48 1gm1 s LYS 20 N -3.41 3.07 -0.55 0.00 1.02 -0.77 -4.80 119.74 114.30 1gm1 s LYS 20 Ca 0.40 1.55 -0.17 0.00 0.02 0.00 0.00 55.97 57.77 1gm1 s LYS 20 Cb -0.11 -1.97 0.12 0.00 -0.52 0.00 0.00 37.83 35.35 1gm1 s LYS 20 CO 0.29 -1.06 0.54 0.95 -0.92 0.00 0.00 175.35 175.15 1gm1 s THR 21 N -1.98 5.12 -1.27 2.17 -4.23 -0.01 -4.63 115.64 110.82 1gm1 s THR 21 Ca 0.71 -1.34 -0.05 0.00 -1.18 0.00 0.00 61.69 59.83 1gm1 s THR 21 Cb -0.23 -4.36 -0.01 0.00 1.34 0.00 0.00 72.50 69.24 1gm1 s THR 21 CO 0.33 -0.90 0.68 -0.67 -0.54 0.00 0.00 174.62 173.52 1gm1 n ASP 22 N 5.50 -2.33 0.00 3.99 2.03 -1.26 -1.58 116.55 122.90 1gm1 n ASP 22 Ca -0.13 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1gm1 n ASP 22 Cb 0.41 -3.80 0.00 0.00 -0.72 0.00 0.00 41.12 37.01 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 -1.65 2.94 3.70 0.27 0.00 -1.26 -5.03 105.19 104.16 1gm1 n GLY 23 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1gm1 n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gm1 s SER 24 N 0.18 6.26 -0.14 1.61 0.01 -0.61 -4.98 113.70 116.03 1gm1 s SER 24 Ca 0.00 0.30 -0.12 0.00 1.31 0.00 0.00 55.95 57.43 1gm1 s SER 24 Cb 0.00 -2.13 -0.09 0.00 0.21 0.00 0.00 66.02 64.01 1gm1 s SER 24 CO 0.00 0.10 0.14 0.25 0.41 0.00 0.00 173.24 174.14 1gm1 h LEU 25 N 7.00 0.00 0.00 2.44 5.85 -1.94 0.01 115.31 128.67 1gm1 h LEU 25 Ca -0.40 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.04 1gm1 h LEU 25 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1gm1 h LEU 25 CO 0.73 0.84 0.00 0.61 -0.34 0.00 0.00 178.44 180.28 1gm1 n GLY 26 N 1.64 1.21 3.16 3.75 0.00 -1.26 0.23 105.19 113.91 1gm1 n GLY 26 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.21 0.03 -0.03 -0.61 2.07 -1.26 -0.91 121.20 119.28 1gm1 s ILE 27 Ca 0.00 -0.23 0.06 0.00 -1.41 0.00 0.00 60.65 59.07 1gm1 s ILE 27 Cb 0.00 -0.43 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 1gm1 s ILE 27 CO 0.00 -0.13 -0.21 -0.55 -1.91 0.00 0.00 174.94 172.15 1gm1 s SER 28 N -0.45 2.49 0.32 4.50 0.15 -0.45 -4.93 113.70 115.32 1gm1 s SER 28 Ca -0.06 -0.39 0.09 0.00 0.70 0.00 0.00 55.95 56.29 1gm1 s SER 28 Cb -0.04 -0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 63.79 1gm1 s SER 28 CO 0.01 0.23 0.04 0.68 1.20 0.00 0.00 173.24 175.41 1gm1 s VAL 29 N -0.32 3.01 0.33 4.45 -7.23 -1.26 -0.67 120.40 118.71 1gm1 s VAL 29 Ca 0.04 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1gm1 s VAL 29 Cb -0.10 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 1gm1 s VAL 29 CO 0.01 -0.25 0.40 0.28 -0.31 0.00 0.00 175.10 175.22 1gm1 s THR 30 N -2.43 0.00 0.00 5.32 -1.32 0.95 -4.68 115.64 113.47 1gm1 s THR 30 Ca 0.35 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 1gm1 s THR 30 Cb -0.03 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1gm1 s THR 30 CO 0.20 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 1gm1 n GLY 31 N -0.57 0.47 0.00 6.08 0.00 -1.26 -0.55 105.19 109.36 1gm1 n GLY 31 Ca 0.03 -1.76 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 1.27 0.26 -0.02 0.00 0.36 -4.31 105.19 102.74 1gm1 n GLY 32 Ca 0.00 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.30 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 0.47 -0.27 1.61 2.07 -1.53 -1.38 116.25 117.21 1gm1 h VAL 33 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1gm1 h VAL 33 Cb 0.00 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1gm1 h VAL 33 CO 0.00 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.21 1gm1 n ASN 34 N -5.24 2.88 -4.63 0.57 3.02 -1.26 -4.70 115.26 105.89 1gm1 n ASN 34 Ca 0.12 -2.34 -0.30 0.00 -0.03 0.00 0.00 54.58 52.03 1gm1 n ASN 34 Cb 0.43 -0.52 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 1gm1 n ASN 34 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1gm1 s THR 35 N -1.75 3.74 -0.99 3.41 2.01 -0.52 -5.02 115.64 116.51 1gm1 s THR 35 Ca 0.24 -1.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 1gm1 s THR 35 Cb 0.17 -2.74 -0.07 0.00 0.01 0.00 0.00 72.50 69.88 1gm1 s THR 35 CO 0.09 0.17 2.98 -1.20 -0.69 0.00 0.00 174.62 175.97 1gm1 n SER 36 N 0.81 7.42 -4.93 3.53 7.64 -1.26 -4.81 113.62 122.02 1gm1 n SER 36 Ca -0.13 -2.76 -0.28 0.00 1.01 0.00 0.00 58.87 56.71 1gm1 n SER 36 Cb 0.52 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 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 0.54 5.32 -0.11 0.44 0.11 -1.26 -5.04 120.40 120.39 1gm1 s VAL 37 Ca 0.64 -0.52 -0.32 0.00 -2.93 0.00 0.00 61.98 58.85 1gm1 s VAL 37 Cb 0.24 -3.70 -0.10 0.00 -1.53 0.00 0.00 36.38 31.29 1gm1 s VAL 37 CO -0.07 -0.03 2.01 -1.14 -3.33 0.00 0.00 175.10 172.53 1gm1 n ARG 38 N -0.29 2.18 0.00 1.54 3.00 -1.26 -3.56 116.66 118.27 1gm1 n ARG 38 Ca -0.06 0.75 0.00 0.00 -0.00 0.00 0.00 57.85 58.54 1gm1 n ARG 38 Cb 0.53 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 30.16 1gm1 n ARG 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1gm1 n HIS 39 N 8.22 0.00 0.00 -0.14 8.25 -1.26 -3.73 115.22 126.55 1gm1 n HIS 39 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1gm1 n HIS 39 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm1 n GLY 40 N 0.00 0.00 3.93 -1.41 0.00 -1.23 -4.83 105.19 101.65 1gm1 n GLY 40 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 1.47 -0.22 -0.02 0.00 -1.24 -3.29 107.32 104.01 1gm1 s GLY 41 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 1gm1 s GLY 41 CO 0.00 -0.64 0.10 -0.42 0.00 0.00 0.00 173.10 172.14 1gm1 s ILE 42 N -2.59 4.88 0.14 0.90 -1.09 -1.26 -0.49 121.20 121.69 1gm1 s ILE 42 Ca 0.46 0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.95 1gm1 s ILE 42 Cb -0.10 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1gm1 s ILE 42 CO 0.40 0.38 -0.15 -0.31 -1.23 0.00 0.00 174.94 174.03 1gm1 s TYR 43 N 1.00 1.50 -0.05 3.97 2.02 0.28 -1.14 117.35 124.93 1gm1 s TYR 43 Ca 0.05 -0.55 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 1gm1 s TYR 43 Cb -0.14 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1gm1 s TYR 43 CO 0.03 0.19 1.15 0.08 -1.57 0.00 0.00 175.55 175.44 1gm1 s VAL 44 N -2.23 4.37 -0.17 0.71 1.01 0.88 -0.04 120.40 124.94 1gm1 s VAL 44 Ca 0.11 1.68 -0.14 0.00 0.00 0.00 0.00 61.98 63.63 1gm1 s VAL 44 Cb -0.04 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1gm1 s VAL 44 CO 0.04 0.01 0.03 0.50 0.00 0.00 0.00 175.10 175.68 1gm1 h LYS 45 N 7.31 0.00 -2.92 2.72 3.64 -1.17 -1.84 116.57 124.30 1gm1 h LYS 45 Ca -0.34 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.93 1gm1 h LYS 45 Cb 1.16 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.79 1gm1 h LYS 45 CO 0.86 0.44 -0.22 0.00 -2.27 0.00 0.00 179.45 178.26 1gm1 s ALA 46 N -2.55 -0.89 -0.22 5.00 0.00 -0.97 -4.66 121.76 117.47 1gm1 s ALA 46 Ca -0.20 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.13 1gm1 s ALA 46 Cb 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1gm1 s ALA 46 CO 0.37 -0.28 0.04 -1.50 0.00 0.00 0.00 175.76 174.39 1gm1 s ILE 47 N -1.34 4.21 -0.15 0.00 1.10 -1.26 -1.34 121.20 122.42 1gm1 s ILE 47 Ca -0.13 -0.22 -0.29 0.00 -0.51 0.00 0.00 60.65 59.50 1gm1 s ILE 47 Cb -0.05 -2.93 -0.01 0.00 0.15 0.00 0.00 42.46 39.62 1gm1 s ILE 47 CO 0.05 0.40 1.14 -0.63 -2.11 0.00 0.00 174.94 173.79 1gm1 s ILE 48 N 1.14 4.48 -0.14 2.00 -1.09 -0.09 -4.96 121.20 122.53 1gm1 s ILE 48 Ca 0.04 1.78 -0.31 0.00 -2.23 0.00 0.00 60.65 59.92 1gm1 s ILE 48 Cb -0.14 -4.15 -0.09 0.00 -1.58 0.00 0.00 42.46 36.50 1gm1 s ILE 48 CO 0.02 -0.10 2.08 -2.65 -1.23 0.00 0.00 174.94 173.06 1gm1 n PRO 49 N 5.98 2.13 -2.93 2.79 -0.02 -1.26 -1.64 135.00 140.06 1gm1 n PRO 49 Ca 0.12 0.70 -0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1gm1 n PRO 49 Cb 0.46 -2.93 0.04 0.00 -0.02 0.00 0.00 33.50 31.04 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 7.87 -3.47 -2.21 -0.52 5.02 -1.26 -5.09 118.16 118.50 1gm1 n LYS 50 Ca 0.27 0.37 -0.27 0.00 -2.02 0.00 0.00 58.31 56.67 1gm1 n LYS 50 Cb 0.37 -4.01 0.06 0.00 -0.02 0.00 0.00 35.03 31.43 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 -3.23 1.66 0.10 0.72 0.00 -0.65 -4.98 107.32 100.94 1gm1 s GLY 51 Ca 0.22 -0.80 -0.35 0.00 0.00 0.00 0.00 44.72 43.78 1gm1 s GLY 51 CO 0.33 -0.43 1.56 0.00 0.00 0.00 0.00 173.10 174.55 1gm1 h ALA 52 N -0.52 -1.01 -0.56 3.20 0.00 -1.26 -2.38 119.26 116.73 1gm1 h ALA 52 Ca -0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1gm1 h ALA 52 Cb 1.30 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 19.97 1gm1 h ALA 52 CO 0.61 -1.14 0.19 0.00 0.00 0.00 0.00 179.25 178.91 1gm1 h ALA 53 N -0.54 0.73 -0.16 0.00 0.00 -0.53 -2.42 119.26 116.33 1gm1 h ALA 53 Ca -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1gm1 h ALA 53 Cb 0.76 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1gm1 h ALA 53 CO -0.29 0.38 -0.44 1.49 0.00 0.00 0.00 179.25 180.39 1gm1 h GLU 54 N 0.78 -0.42 -0.06 0.00 4.22 -1.71 -1.45 114.58 115.94 1gm1 h GLU 54 Ca 0.18 0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.56 1gm1 h GLU 54 Cb 0.26 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1gm1 h GLU 54 CO -0.01 -0.28 -0.38 1.03 -2.18 0.00 0.00 179.01 177.20 1gm1 h SER 55 N -0.43 0.13 0.32 1.04 0.87 -1.35 -3.09 113.55 111.04 1gm1 h SER 55 Ca 0.03 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1gm1 h SER 55 Cb 0.53 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1gm1 h SER 55 CO -0.38 0.50 -0.16 -0.78 -0.53 0.00 0.00 176.83 175.48 1gm1 h ASP 56 N 0.11 -0.37 0.00 6.23 3.58 -1.39 -3.48 116.42 121.10 1gm1 h ASP 56 Ca 0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1gm1 h ASP 56 Cb 0.72 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1gm1 h ASP 56 CO 0.05 -0.22 0.00 0.61 -2.88 0.00 0.00 179.24 176.81 1gm1 n GLY 57 N -0.57 0.81 0.21 -0.78 0.00 -0.55 -4.93 105.19 99.38 1gm1 n GLY 57 Ca -0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.68 -5.76 1.61 3.08 -1.89 -3.43 114.38 108.67 1gm1 h ARG 58 Ca 0.00 -0.12 -0.58 0.00 0.07 0.00 0.00 59.98 59.35 1gm1 h ARG 58 Cb 0.02 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 29.88 1gm1 h ARG 58 CO 0.00 0.61 -0.17 0.42 -1.07 0.00 0.00 179.97 179.76 1gm1 s ILE 59 N -5.59 5.17 0.00 2.04 1.01 -1.26 -4.95 121.20 117.62 1gm1 s ILE 59 Ca -0.13 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1gm1 s ILE 59 Cb 0.11 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1gm1 s ILE 59 CO 0.76 0.38 0.00 1.57 0.00 0.00 0.00 174.94 177.65 1gm1 n HIS 60 N 3.32 -0.26 -1.78 3.97 -0.00 -1.26 -4.78 115.22 114.44 1gm1 n HIS 60 Ca -0.09 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.67 1gm1 n HIS 60 Cb 0.52 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.36 1gm1 n HIS 60 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1gm1 s LYS 61 N -2.00 4.16 0.00 1.57 2.20 -1.26 -2.42 119.74 121.99 1gm1 s LYS 61 Ca 0.00 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 1gm1 s LYS 61 Cb 0.00 -3.83 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1gm1 s LYS 61 CO 0.00 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 1gm1 n GLY 62 N 4.28 0.35 3.81 5.54 0.00 -0.69 -4.89 105.19 113.59 1gm1 n GLY 62 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.38 5.02 -0.16 1.61 1.01 -1.01 -4.02 116.67 116.74 1gm1 s ASP 63 Ca 0.00 1.53 0.01 0.00 0.71 0.00 0.00 52.55 54.80 1gm1 s ASP 63 Cb 0.00 -2.35 0.02 0.00 1.01 0.00 0.00 42.92 41.60 1gm1 s ASP 63 CO 0.00 -1.66 -0.18 -0.60 0.21 0.00 0.00 175.17 172.94 1gm1 s ARG 64 N -5.07 2.68 -0.16 8.23 3.52 0.15 -0.08 118.95 128.21 1gm1 s ARG 64 Ca 0.59 -0.71 -0.21 0.00 -0.13 0.00 0.00 55.73 55.27 1gm1 s ARG 64 Cb -0.14 -2.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.90 1gm1 s ARG 64 CO 0.55 -0.17 0.61 0.08 -0.81 0.00 0.00 175.30 175.55 1gm1 s VAL 65 N 1.26 5.06 -0.24 7.11 1.01 -0.29 -0.81 120.40 133.49 1gm1 s VAL 65 Ca 0.02 1.18 -0.05 0.00 0.00 0.00 0.00 61.98 63.13 1gm1 s VAL 65 Cb -0.13 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 1gm1 s VAL 65 CO -0.09 0.18 -0.26 0.18 0.00 0.00 0.00 175.10 175.11 1gm1 n LEU 66 N 4.58 2.41 -3.75 3.92 4.32 -0.83 -4.58 117.00 123.08 1gm1 n LEU 66 Ca -0.03 0.07 -0.13 0.00 -0.02 0.00 0.00 56.01 55.91 1gm1 n LEU 66 Cb 0.50 -0.77 -0.11 0.00 -1.62 0.00 0.00 43.42 41.43 1gm1 n LEU 66 CO 0.44 0.72 0.03 0.00 -1.22 0.00 0.00 177.39 177.36 1gm1 s ALA 67 N -2.46 -0.91 -0.23 -1.18 0.00 -0.29 -0.79 121.76 115.91 1gm1 s ALA 67 Ca -0.33 1.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 1gm1 s ALA 67 Cb 0.10 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1gm1 s ALA 67 CO 0.49 -0.18 -0.07 0.08 0.00 0.00 0.00 175.76 176.08 1gm1 s VAL 68 N 0.27 2.99 -1.64 0.00 1.01 0.25 -1.14 120.40 122.14 1gm1 s VAL 68 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1gm1 s VAL 68 Cb -0.03 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1gm1 s VAL 68 CO -0.00 0.34 0.00 -3.20 0.00 0.00 0.00 175.10 172.24 1gm1 n ASN 69 N 4.72 -5.40 0.00 3.32 5.15 0.41 -1.21 115.26 122.24 1gm1 n ASN 69 Ca -0.18 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1gm1 n ASN 69 Cb 0.49 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.27 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 -0.99 2.58 3.60 8.20 0.00 -1.21 -4.81 105.19 112.57 1gm1 n GLY 70 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.56 5.05 0.26 1.61 1.01 -0.35 -5.07 120.40 120.36 1gm1 s VAL 71 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 1gm1 s VAL 71 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 1gm1 s VAL 71 CO 0.00 0.34 1.21 -0.44 0.00 0.00 0.00 175.10 176.21 1gm1 s SER 72 N 1.20 7.04 -1.36 3.32 0.01 -1.26 -0.59 113.70 122.07 1gm1 s SER 72 Ca 0.06 2.40 -0.07 0.00 1.31 0.00 0.00 55.95 59.65 1gm1 s SER 72 Cb -0.14 -2.63 0.10 0.00 0.21 0.00 0.00 66.02 63.56 1gm1 s SER 72 CO 0.05 -0.35 2.35 0.18 0.41 0.00 0.00 173.24 175.87 1gm1 n LEU 73 N 1.57 7.81 -4.61 2.44 4.77 0.03 -4.90 117.00 124.11 1gm1 n LEU 73 Ca 0.01 -4.75 -0.41 0.00 -0.03 0.00 0.00 56.01 50.84 1gm1 n LEU 73 Cb 0.44 -1.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.04 1gm1 n LEU 73 CO 0.56 1.89 0.42 -1.61 -1.33 0.00 0.00 177.39 177.32 1gm1 s GLU 74 N -0.25 3.97 0.00 3.23 2.02 -1.26 -4.05 118.70 122.36 1gm1 s GLU 74 Ca 0.53 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.93 1gm1 s GLU 74 Cb 0.16 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.69 1gm1 s GLU 74 CO -0.07 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.08 1gm1 n GLY 75 N 4.32 0.44 3.78 -1.39 0.00 -1.26 -4.98 105.19 106.10 1gm1 n GLY 75 Ca -0.00 0.00 -0.34 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 -2.10 2.74 0.72 4.61 0.00 -1.26 -4.84 121.76 121.62 1gm1 s ALA 76 Ca 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 1gm1 s ALA 76 Cb 0.00 -3.32 0.10 0.00 0.00 0.00 0.00 23.12 19.90 1gm1 s ALA 76 CO 0.00 -0.66 1.00 0.95 0.00 0.00 0.00 175.76 177.05 1gm1 s THR 77 N -1.92 2.26 0.12 0.00 -4.23 -1.26 -3.16 115.64 107.45 1gm1 s THR 77 Ca 0.70 -0.44 -0.20 0.00 -1.18 0.00 0.00 61.69 60.58 1gm1 s THR 77 Cb -0.21 -2.82 -0.06 0.00 1.34 0.00 0.00 72.50 70.75 1gm1 s THR 77 CO 0.26 0.00 1.76 -0.74 -0.54 0.00 0.00 174.62 175.36 1gm1 h HIS 78 N -0.58 0.15 -0.53 3.99 2.76 -1.86 -2.99 115.15 116.08 1gm1 h HIS 78 Ca -0.41 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 57.86 1gm1 h HIS 78 Cb 1.28 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 30.13 1gm1 h HIS 78 CO -0.07 0.08 0.14 -0.22 -1.30 0.00 0.00 177.93 176.56 1gm1 h LYS 79 N 0.18 0.28 -0.26 5.26 3.64 -1.95 -2.41 116.57 121.31 1gm1 h LYS 79 Ca 0.08 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1gm1 h LYS 79 Cb 0.03 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1gm1 h LYS 79 CO -0.07 0.18 -0.06 1.96 -2.27 0.00 0.00 179.45 179.20 1gm1 h GLN 80 N 0.28 0.01 -0.54 1.90 7.50 -1.92 0.48 115.11 122.83 1gm1 h GLN 80 Ca 0.27 -0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.32 1gm1 h GLN 80 Cb 0.35 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.86 1gm1 h GLN 80 CO -0.32 0.00 -0.04 0.00 -1.50 0.00 0.00 178.83 176.97 1gm1 h ALA 81 N 1.26 0.91 0.07 3.87 0.00 -1.47 -1.91 119.26 121.99 1gm1 h ALA 81 Ca 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1gm1 h ALA 81 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gm1 h ALA 81 CO -0.26 0.64 -0.04 0.28 0.00 0.00 0.00 179.25 179.87 1gm1 h VAL 82 N 0.87 1.16 -0.23 0.00 2.07 -0.96 0.19 116.25 119.34 1gm1 h VAL 82 Ca 0.15 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1gm1 h VAL 82 Cb 0.57 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1gm1 h VAL 82 CO 0.03 0.21 -0.05 -0.33 0.02 0.00 0.00 177.57 177.45 1gm1 h GLU 83 N -0.48 0.36 -0.02 1.57 3.07 -0.96 0.98 114.58 119.09 1gm1 h GLU 83 Ca -0.01 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1gm1 h GLU 83 Cb 0.42 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1gm1 h GLU 83 CO 0.02 0.43 0.00 1.15 -1.40 0.00 0.00 179.01 179.21 1gm1 h THR 84 N 0.34 1.21 -0.20 1.13 2.02 -1.28 -0.62 112.91 115.51 1gm1 h THR 84 Ca 0.07 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1gm1 h THR 84 Cb 0.32 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1gm1 h THR 84 CO 0.01 0.17 -0.02 -0.07 0.37 0.00 0.00 175.52 175.98 1gm1 h LEU 85 N -0.22 0.28 -0.32 2.58 3.38 -0.49 -2.24 115.31 118.27 1gm1 h LEU 85 Ca 0.01 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1gm1 h LEU 85 Cb 0.27 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1gm1 h LEU 85 CO 0.00 0.35 0.06 0.03 0.09 0.00 0.00 178.44 178.97 1gm1 h ARG 86 N 0.30 0.53 -1.94 1.13 3.08 -0.77 -3.28 114.38 113.43 1gm1 h ARG 86 Ca 0.07 -0.14 -0.20 0.00 0.07 0.00 0.00 59.98 59.78 1gm1 h ARG 86 Cb 0.24 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 1gm1 h ARG 86 CO 0.01 0.62 -0.05 -1.71 -1.07 0.00 0.00 179.97 177.76 1gm1 n ASN 87 N -4.61 5.62 -4.95 7.04 5.15 -0.25 -4.85 115.26 118.41 1gm1 n ASN 87 Ca -0.02 -2.65 -0.21 0.00 -0.60 0.00 0.00 54.58 51.11 1gm1 n ASN 87 Cb 0.21 -1.26 -0.02 0.00 -0.53 0.00 0.00 39.78 38.18 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 -0.22 4.98 0.00 -0.44 -4.23 -1.22 -4.95 115.64 109.55 1gm1 s THR 88 Ca 0.41 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1gm1 s THR 88 Cb 0.22 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1gm1 s THR 88 CO -0.03 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1gm1 n GLY 89 N -1.40 1.49 0.26 3.99 0.00 -1.26 -5.03 105.19 103.23 1gm1 n GLY 89 Ca -0.08 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.57 -5.74 1.61 5.75 -1.99 -3.46 115.11 110.72 1gm1 h GLN 90 Ca 0.00 0.04 -0.60 0.00 -0.15 0.00 0.00 58.65 57.94 1gm1 h GLN 90 Cb 0.00 0.13 -0.08 0.00 1.07 0.00 0.00 27.48 28.60 1gm1 h GLN 90 CO 0.00 -0.37 -0.25 0.54 -2.65 0.00 0.00 178.83 176.10 1gm1 s VAL 91 N -3.51 5.20 -0.12 2.39 0.11 -1.26 -1.85 120.40 121.36 1gm1 s VAL 91 Ca -0.09 0.72 0.01 0.00 -2.93 0.00 0.00 61.98 59.69 1gm1 s VAL 91 Cb 0.01 -3.69 0.02 0.00 -1.53 0.00 0.00 36.38 31.19 1gm1 s VAL 91 CO 0.27 0.46 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.67 1gm1 s VAL 92 N -0.13 1.45 -0.78 2.04 1.01 -0.68 -4.93 120.40 118.39 1gm1 s VAL 92 Ca 0.21 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 1gm1 s VAL 92 Cb -0.15 -1.35 0.20 0.00 0.00 0.00 0.00 36.38 35.09 1gm1 s VAL 92 CO 0.09 0.43 0.68 -1.00 0.00 0.00 0.00 175.10 175.31 1gm1 s HIS 93 N 1.22 3.67 0.37 5.22 3.76 -1.26 -1.63 115.29 126.64 1gm1 s HIS 93 Ca -0.02 -2.23 -0.07 0.00 -0.15 0.00 0.00 55.06 52.60 1gm1 s HIS 93 Cb -0.14 -3.64 -0.05 0.00 1.11 0.00 0.00 32.58 29.86 1gm1 s HIS 93 CO -0.05 -0.94 0.68 -0.51 -0.85 0.00 0.00 174.74 173.07 1gm1 s LEU 94 N 0.04 3.89 -0.07 0.89 1.43 0.97 -0.45 118.68 125.38 1gm1 s LEU 94 Ca 0.18 0.91 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 1gm1 s LEU 94 Cb -0.13 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.33 1gm1 s LEU 94 CO -0.07 -0.35 -0.10 -0.22 0.23 0.00 0.00 176.35 175.84 1gm1 s LEU 95 N -3.92 1.50 0.26 1.79 0.20 -0.29 -0.45 118.68 117.78 1gm1 s LEU 95 Ca 0.47 -0.26 -0.15 0.00 0.69 0.00 0.00 54.13 54.88 1gm1 s LEU 95 Cb -0.10 -0.75 0.00 0.00 -0.43 0.00 0.00 46.19 44.91 1gm1 s LEU 95 CO 0.33 -0.01 0.55 -1.48 -0.29 0.00 0.00 176.35 175.46 1gm1 s LEU 96 N 0.88 0.19 0.04 -0.68 -0.00 -0.60 -1.14 118.68 117.38 1gm1 s LEU 96 Ca -0.11 -0.88 0.09 0.00 -0.00 0.00 0.00 54.13 53.23 1gm1 s LEU 96 Cb -0.15 2.04 -0.03 0.00 -0.00 0.00 0.00 46.19 48.05 1gm1 s LEU 96 CO 0.01 -1.22 -0.25 -0.70 -0.00 0.00 0.00 176.35 174.19 1gm1 s GLU 97 N -3.89 1.87 0.29 1.48 2.12 0.01 -1.15 118.70 119.42 1gm1 s GLU 97 Ca 0.20 -1.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.16 1gm1 s GLU 97 Cb -0.02 -2.02 -0.09 0.00 0.26 0.00 0.00 34.13 32.25 1gm1 s GLU 97 CO 0.09 0.52 1.07 0.21 -0.54 0.00 0.00 175.26 176.61 1gm1 s LYS 98 N -1.25 4.61 -0.02 4.30 2.47 -0.57 -0.67 119.74 128.61 1gm1 s LYS 98 Ca 0.12 1.72 -0.30 0.00 -1.56 0.00 0.00 55.97 55.95 1gm1 s LYS 98 Cb -0.10 -3.12 -0.06 0.00 -1.46 0.00 0.00 37.83 33.09 1gm1 s LYS 98 CO 0.02 0.21 1.67 0.20 0.16 0.00 0.00 175.35 177.62 1gm1 s GLY 99 N -1.01 1.55 0.90 5.54 0.00 -1.26 -4.06 107.32 108.98 1gm1 s GLY 99 Ca 0.46 1.01 -0.12 0.00 0.00 0.00 0.00 44.72 46.07 1gm1 s GLY 99 CO 0.38 3.02 1.24 -0.86 0.00 0.00 0.00 173.10 176.88 1gm1 s GLN 100 N 3.76 0.85 -0.36 2.90 -2.07 -1.26 -4.66 119.66 118.82 1gm1 s GLN 100 Ca 0.74 -0.65 -0.15 0.00 -1.82 0.00 0.00 55.36 53.48 1gm1 s GLN 100 Cb -0.35 -1.98 -0.01 0.00 -1.09 0.00 0.00 33.01 29.59 1gm1 s GLN 100 CO 0.31 -2.20 0.34 0.14 -1.32 0.00 0.00 175.29 172.56 1gm1 s VAL 101 N -3.70 5.20 -2.00 3.63 -7.23 -1.26 -5.06 120.40 109.98 1gm1 s VAL 101 Ca 0.73 -0.15 0.20 0.00 -1.81 0.00 0.00 61.98 60.94 1gm1 s VAL 101 Cb -0.04 -3.84 0.56 0.00 0.56 0.00 0.00 36.38 33.63 1gm1 s VAL 101 CO 0.51 -0.14 1.57 -0.81 -0.31 0.00 0.00 175.10 175.92