#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 -0.71 0.00 1.97 0.04 -1.26 -4.47 135.00 130.57 1gm1 s PRO 10 Ca 0.00 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1gm1 s PRO 10 Cb 0.00 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1gm1 s PRO 10 CO 0.00 -3.34 0.00 0.41 0.04 0.00 0.00 177.00 174.11 1gm1 n GLY 11 N -2.04 0.75 3.91 0.56 0.00 -0.66 -5.01 105.19 102.69 1gm1 n GLY 11 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.23 6.44 0.33 1.61 2.15 -1.26 -4.81 116.67 118.90 1gm1 s ASP 12 Ca 0.00 0.51 0.04 0.00 0.43 0.00 0.00 52.55 53.53 1gm1 s ASP 12 Cb 0.00 -2.06 -0.02 0.00 -0.30 0.00 0.00 42.92 40.54 1gm1 s ASP 12 CO 0.00 -0.00 0.49 0.42 -0.17 0.00 0.00 175.17 175.91 1gm1 s THR 13 N -1.77 4.65 -0.07 1.71 -4.23 -1.26 -1.03 115.64 113.63 1gm1 s THR 13 Ca 0.40 -0.78 -0.06 0.00 -1.18 0.00 0.00 61.69 60.08 1gm1 s THR 13 Cb -0.12 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1gm1 s THR 13 CO 0.27 -0.33 0.18 -0.36 -0.54 0.00 0.00 174.62 173.83 1gm1 s PHE 14 N -2.22 -0.20 -0.34 3.99 0.40 -0.06 -4.95 117.98 114.59 1gm1 s PHE 14 Ca 0.41 0.49 -0.18 0.00 -0.60 0.00 0.00 56.93 57.05 1gm1 s PHE 14 Cb -0.09 0.05 -0.01 0.00 0.51 0.00 0.00 43.02 43.48 1gm1 s PHE 14 CO 0.33 -0.11 0.51 -1.21 0.70 0.00 0.00 175.22 175.44 1gm1 s GLU 15 N 0.30 3.66 -0.43 0.44 2.02 -1.26 -1.66 118.70 121.77 1gm1 s GLU 15 Ca -0.02 -0.13 -0.04 0.00 0.02 0.00 0.00 54.97 54.81 1gm1 s GLU 15 Cb -0.03 -3.79 0.11 0.00 0.10 0.00 0.00 34.13 30.52 1gm1 s GLU 15 CO -0.01 -0.61 0.24 0.08 0.02 0.00 0.00 175.26 174.97 1gm1 s VAL 16 N 2.38 3.48 -0.64 2.63 1.01 -0.03 -4.96 120.40 124.27 1gm1 s VAL 16 Ca 0.19 -2.03 -0.21 0.00 0.00 0.00 0.00 61.98 59.93 1gm1 s VAL 16 Cb -0.15 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 32.94 1gm1 s VAL 16 CO 0.13 -0.71 0.89 -0.70 0.00 0.00 0.00 175.10 174.70 1gm1 s GLU 17 N 1.16 3.09 -0.06 2.72 2.12 -1.26 -0.33 118.70 126.14 1gm1 s GLU 17 Ca 0.08 -0.97 0.04 0.00 0.36 0.00 0.00 54.97 54.48 1gm1 s GLU 17 Cb -0.23 -4.24 -0.02 0.00 0.26 0.00 0.00 34.13 29.90 1gm1 s GLU 17 CO -0.04 -1.73 -0.19 -1.17 -0.54 0.00 0.00 175.26 171.60 1gm1 s LEU 18 N 3.65 2.45 -0.00 2.70 2.96 0.12 -4.94 118.68 125.62 1gm1 s LEU 18 Ca 0.19 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1gm1 s LEU 18 Cb -0.19 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1gm1 s LEU 18 CO 0.09 0.28 0.10 0.00 -1.32 0.00 0.00 176.35 175.50 1gm1 s ALA 19 N -0.36 3.65 0.34 5.97 0.00 -1.26 0.46 121.76 130.56 1gm1 s ALA 19 Ca 0.03 -0.86 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 1gm1 s ALA 19 Cb -0.12 -1.63 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 1gm1 s ALA 19 CO 0.02 0.70 1.18 0.21 0.00 0.00 0.00 175.76 177.88 1gm1 s LYS 20 N -1.81 4.33 0.01 0.00 2.20 -0.76 -4.80 119.74 118.90 1gm1 s LYS 20 Ca 0.24 1.93 0.01 0.00 -0.36 0.00 0.00 55.97 57.79 1gm1 s LYS 20 Cb -0.12 -2.95 -0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1gm1 s LYS 20 CO 0.15 -0.11 -0.03 -0.08 -0.36 0.00 0.00 175.35 174.92 1gm1 s THR 21 N -1.26 0.24 -1.40 3.43 -1.32 -1.02 -4.84 115.64 109.47 1gm1 s THR 21 Ca 0.51 -0.35 -0.06 0.00 -1.21 0.00 0.00 61.69 60.57 1gm1 s THR 21 Cb -0.33 -0.25 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1gm1 s THR 21 CO 0.43 -0.08 0.49 -0.67 -2.21 0.00 0.00 174.62 172.58 1gm1 n ASP 22 N 2.61 -4.87 0.00 8.08 2.03 -1.26 -0.73 116.55 122.41 1gm1 n ASP 22 Ca -0.15 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 54.88 1gm1 n ASP 22 Cb 0.58 -3.99 0.00 0.00 -0.72 0.00 0.00 41.12 36.99 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 -1.29 0.26 3.30 0.27 0.00 -1.26 -5.00 105.19 101.47 1gm1 n GLY 23 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.02 2.91 -0.12 1.61 1.04 0.09 -5.02 113.70 112.19 1gm1 s SER 24 Ca 0.00 -0.51 -0.07 0.00 0.48 0.00 0.00 55.95 55.85 1gm1 s SER 24 Cb 0.00 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1gm1 s SER 24 CO 0.00 0.26 -0.14 -0.07 0.98 0.00 0.00 173.24 174.27 1gm1 h LEU 25 N 5.15 0.00 0.00 2.42 3.38 -1.94 -2.70 115.31 121.61 1gm1 h LEU 25 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1gm1 h LEU 25 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1gm1 h LEU 25 CO 0.45 0.62 0.00 0.61 0.09 0.00 0.00 178.44 180.22 1gm1 n GLY 26 N 1.65 0.89 3.14 0.83 0.00 -1.26 0.33 105.19 110.77 1gm1 n GLY 26 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.58 0.08 -0.12 -0.61 2.07 -1.26 -1.00 121.20 119.78 1gm1 s ILE 27 Ca 0.00 -0.65 0.02 0.00 -1.41 0.00 0.00 60.65 58.62 1gm1 s ILE 27 Cb 0.00 -0.49 0.01 0.00 0.13 0.00 0.00 42.46 42.11 1gm1 s ILE 27 CO 0.00 -0.36 -0.18 -0.55 -1.91 0.00 0.00 174.94 171.94 1gm1 s SER 28 N -1.40 2.73 0.21 4.50 0.15 0.00 -4.88 113.70 115.01 1gm1 s SER 28 Ca -0.14 -0.50 0.06 0.00 0.70 0.00 0.00 55.95 56.07 1gm1 s SER 28 Cb -0.07 -1.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.96 1gm1 s SER 28 CO 0.02 0.05 0.16 0.68 1.20 0.00 0.00 173.24 175.35 1gm1 s VAL 29 N 0.87 4.41 0.21 4.45 -7.23 -1.26 -1.06 120.40 120.79 1gm1 s VAL 29 Ca -0.08 -1.29 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1gm1 s VAL 29 Cb -0.15 -3.32 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 1gm1 s VAL 29 CO -0.01 -0.24 0.19 0.28 -0.31 0.00 0.00 175.10 175.01 1gm1 s THR 30 N -1.97 0.00 0.00 5.32 -1.32 0.46 -4.78 115.64 113.35 1gm1 s THR 30 Ca 0.32 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 1gm1 s THR 30 Cb -0.09 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 1gm1 s THR 30 CO 0.24 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 1gm1 n GLY 31 N -0.30 0.73 0.05 6.08 0.00 -1.26 -0.57 105.19 109.92 1gm1 n GLY 31 Ca 0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.47 0.03 -0.02 0.00 -0.02 -4.36 105.19 97.35 1gm1 n GLY 32 Ca 0.00 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gm1 n VAL 33 N -0.42 0.00 0.00 1.61 0.31 -1.22 -3.96 118.33 114.65 1gm1 n VAL 33 Ca 0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 1gm1 n VAL 33 Cb 0.00 -0.16 -0.10 0.00 -0.91 0.00 0.00 33.84 32.67 1gm1 n VAL 33 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1gm1 h ASN 34 N 0.14 -0.06 -2.67 4.52 -0.73 -1.91 -3.46 115.58 111.40 1gm1 h ASN 34 Ca 0.00 -0.51 -0.44 0.00 1.87 0.00 0.00 56.30 57.22 1gm1 h ASN 34 Cb 0.46 0.02 0.05 0.00 0.27 0.00 0.00 38.32 39.12 1gm1 h ASN 34 CO 0.00 0.51 -0.00 0.42 -0.37 0.00 0.00 177.43 177.99 1gm1 s THR 35 N -3.75 2.63 -1.26 -3.57 -4.23 -1.25 -5.00 115.64 99.20 1gm1 s THR 35 Ca -0.15 -0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 59.69 1gm1 s THR 35 Cb 0.01 -3.01 0.16 0.00 1.34 0.00 0.00 72.50 71.00 1gm1 s THR 35 CO 0.62 -0.01 2.23 -1.20 -0.54 0.00 0.00 174.62 175.73 1gm1 n SER 36 N -2.41 7.69 -4.89 3.99 7.64 -1.26 -4.74 113.62 119.64 1gm1 n SER 36 Ca 0.08 -3.24 -0.29 0.00 1.01 0.00 0.00 58.87 56.43 1gm1 n SER 36 Cb 0.60 -1.33 0.01 0.00 -1.01 0.00 0.00 64.21 62.47 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 -1.64 4.58 -0.49 0.44 0.11 -1.26 -4.93 120.40 117.21 1gm1 s VAL 37 Ca 0.50 0.52 -0.30 0.00 -2.93 0.00 0.00 61.98 59.77 1gm1 s VAL 37 Cb 0.18 -3.80 -0.11 0.00 -1.53 0.00 0.00 36.38 31.12 1gm1 s VAL 37 CO -0.09 -0.93 2.36 -1.14 -3.33 0.00 0.00 175.10 171.97 1gm1 n ARG 38 N -2.58 1.01 -1.18 1.54 0.00 -1.26 -1.25 116.66 112.93 1gm1 n ARG 38 Ca 0.04 0.17 -0.08 0.00 -0.00 0.00 0.00 57.85 57.98 1gm1 n ARG 38 Cb 0.55 -2.77 -0.03 0.00 0.00 0.00 0.00 32.46 30.21 1gm1 n ARG 38 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1gm1 n HIS 39 N 12.44 -0.02 -1.32 -0.14 -0.00 -1.26 -2.77 115.22 122.14 1gm1 n HIS 39 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 1gm1 n HIS 39 Cb 0.34 -2.47 0.00 0.00 -0.00 0.00 0.00 29.99 27.87 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1gm1 n GLY 40 N 0.43 0.38 3.92 1.57 0.00 -0.38 -4.99 105.19 106.13 1gm1 n GLY 40 Ca -0.08 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.99 1.70 -0.29 -0.02 0.00 -1.12 -3.42 107.32 101.18 1gm1 s GLY 41 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 1gm1 s GLY 41 CO 0.00 -0.38 0.14 -0.42 0.00 0.00 0.00 173.10 172.45 1gm1 s ILE 42 N -3.69 4.70 0.10 0.90 -1.09 -1.26 -0.84 121.20 120.03 1gm1 s ILE 42 Ca 0.68 -0.23 0.08 0.00 -2.23 0.00 0.00 60.65 58.95 1gm1 s ILE 42 Cb -0.07 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 1gm1 s ILE 42 CO 0.50 0.17 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.86 1gm1 s TYR 43 N 1.65 1.80 -0.12 3.97 2.02 0.27 -1.33 117.35 125.60 1gm1 s TYR 43 Ca 0.06 -0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 56.04 1gm1 s TYR 43 Cb -0.16 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.39 1gm1 s TYR 43 CO 0.07 0.21 1.22 0.08 -1.57 0.00 0.00 175.55 175.56 1gm1 s VAL 44 N -1.16 4.30 -0.16 0.71 1.01 -0.15 -0.40 120.40 124.55 1gm1 s VAL 44 Ca 0.07 1.60 -0.13 0.00 0.00 0.00 0.00 61.98 63.51 1gm1 s VAL 44 Cb -0.10 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1gm1 s VAL 44 CO 0.04 -0.08 -0.02 0.50 0.00 0.00 0.00 175.10 175.54 1gm1 h LYS 45 N 7.83 0.00 -3.73 2.72 3.64 -1.40 -0.84 116.57 124.79 1gm1 h LYS 45 Ca -0.29 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.98 1gm1 h LYS 45 Cb 1.13 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.78 1gm1 h LYS 45 CO 0.93 0.35 -0.44 0.00 -2.27 0.00 0.00 179.45 178.02 1gm1 s ALA 46 N -2.59 -0.19 -0.20 5.00 0.00 -0.93 -4.73 121.76 118.12 1gm1 s ALA 46 Ca -0.19 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1gm1 s ALA 46 Cb 0.03 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1gm1 s ALA 46 CO 0.34 -0.38 -0.17 -1.50 0.00 0.00 0.00 175.76 174.05 1gm1 s ILE 47 N -2.93 2.21 -0.08 0.00 1.10 -1.26 -0.82 121.20 119.43 1gm1 s ILE 47 Ca -0.02 -1.04 -0.30 0.00 -0.51 0.00 0.00 60.65 58.78 1gm1 s ILE 47 Cb 0.01 -2.01 -0.03 0.00 0.15 0.00 0.00 42.46 40.58 1gm1 s ILE 47 CO -0.06 0.41 1.14 -0.63 -2.11 0.00 0.00 174.94 173.69 1gm1 s ILE 48 N 1.27 4.42 0.27 2.00 -1.09 -0.17 -4.96 121.20 122.94 1gm1 s ILE 48 Ca 0.02 1.73 -0.30 0.00 -2.23 0.00 0.00 60.65 59.87 1gm1 s ILE 48 Cb -0.15 -4.11 -0.14 0.00 -1.58 0.00 0.00 42.46 36.49 1gm1 s ILE 48 CO -0.10 -0.01 1.28 -2.65 -1.23 0.00 0.00 174.94 172.22 1gm1 n PRO 49 N 5.20 1.82 -2.02 2.79 -0.02 -1.26 -1.87 135.00 139.64 1gm1 n PRO 49 Ca 0.10 0.65 -0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1gm1 n PRO 49 Cb 0.47 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 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 1.39 -1.86 -1.71 -0.52 5.02 -1.26 -5.01 118.16 114.22 1gm1 n LYS 50 Ca 0.10 0.65 -0.29 0.00 -2.02 0.00 0.00 58.31 56.74 1gm1 n LYS 50 Cb 0.32 -5.10 0.11 0.00 -0.02 0.00 0.00 35.03 30.34 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 -2.03 1.58 0.10 0.72 0.00 -0.78 -4.87 107.32 102.03 1gm1 s GLY 51 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 44.72 43.84 1gm1 s GLY 51 CO 0.00 -0.04 1.51 0.00 0.00 0.00 0.00 173.10 174.56 1gm1 h ALA 52 N -1.27 -0.93 -0.37 3.20 0.00 -0.97 -1.45 119.26 117.47 1gm1 h ALA 52 Ca -0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1gm1 h ALA 52 Cb 1.33 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 1gm1 h ALA 52 CO 0.64 -1.07 0.16 0.00 0.00 0.00 0.00 179.25 178.98 1gm1 h ALA 53 N -0.55 0.48 -0.11 0.00 0.00 -0.39 -1.86 119.26 116.84 1gm1 h ALA 53 Ca 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1gm1 h ALA 53 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1gm1 h ALA 53 CO -0.31 0.07 -0.10 1.49 0.00 0.00 0.00 179.25 180.40 1gm1 h GLU 54 N 0.46 -0.04 0.00 0.00 4.22 -1.62 -3.13 114.58 114.47 1gm1 h GLU 54 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.57 1gm1 h GLU 54 Cb 0.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1gm1 h GLU 54 CO -0.01 -0.03 0.00 0.43 -2.18 0.00 0.00 179.01 177.22 1gm1 n SER 55 N -3.26 0.70 0.30 1.04 7.64 -0.55 -2.87 113.62 116.62 1gm1 n SER 55 Ca -0.00 0.67 -0.16 0.00 1.01 0.00 0.00 58.87 60.39 1gm1 n SER 55 Cb 0.05 -0.82 -0.08 0.00 -1.01 0.00 0.00 64.21 62.35 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 -0.62 0.00 6.43 1.82 -1.28 -3.48 116.42 119.29 1gm1 h ASP 56 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1gm1 h ASP 56 Cb 0.37 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.54 1gm1 h ASP 56 CO 0.00 -0.39 0.00 0.61 -1.61 0.00 0.00 179.24 177.85 1gm1 n GLY 57 N -1.21 0.75 0.19 -0.78 0.00 -1.14 -4.87 105.19 98.13 1gm1 n GLY 57 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 3.08 0.61 -6.13 1.61 3.08 -1.89 -3.44 114.38 111.30 1gm1 h ARG 58 Ca 0.00 -0.61 -0.57 0.00 0.07 0.00 0.00 59.98 58.87 1gm1 h ARG 58 Cb 0.00 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1gm1 h ARG 58 CO 0.00 1.22 0.83 0.42 -1.07 0.00 0.00 179.97 181.37 1gm1 s ILE 59 N -3.42 4.48 0.36 2.04 1.01 -1.26 -4.97 121.20 119.44 1gm1 s ILE 59 Ca -0.08 1.79 0.09 0.00 0.00 0.00 0.00 60.65 62.44 1gm1 s ILE 59 Cb 0.08 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 1gm1 s ILE 59 CO 0.90 -0.14 -0.02 -1.00 0.00 0.00 0.00 174.94 174.68 1gm1 s HIS 60 N 3.21 2.49 0.12 3.97 3.76 -1.26 -4.92 115.29 122.66 1gm1 s HIS 60 Ca 0.50 -0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 54.59 1gm1 s HIS 60 Cb -0.19 -1.53 -0.09 0.00 1.11 0.00 0.00 32.58 31.88 1gm1 s HIS 60 CO 0.11 0.49 1.64 0.21 -0.85 0.00 0.00 174.74 176.34 1gm1 s LYS 61 N -3.69 4.20 0.00 1.40 2.20 -1.26 -2.39 119.74 120.20 1gm1 s LYS 61 Ca 0.34 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1gm1 s LYS 61 Cb 0.03 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1gm1 s LYS 61 CO 0.18 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 1gm1 n GLY 62 N 3.92 0.70 3.75 5.54 0.00 -0.32 -4.83 105.19 113.94 1gm1 n GLY 62 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.91 4.93 -0.24 1.61 1.01 -1.01 -4.19 116.67 115.89 1gm1 s ASP 63 Ca 0.00 2.18 -0.07 0.00 0.71 0.00 0.00 52.55 55.36 1gm1 s ASP 63 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1gm1 s ASP 63 CO 0.00 -1.76 0.07 -0.60 0.21 0.00 0.00 175.17 173.10 1gm1 s ARG 64 N -3.84 3.73 0.08 8.23 3.52 -0.24 -0.98 118.95 129.45 1gm1 s ARG 64 Ca 0.71 -0.45 -0.27 0.00 -0.13 0.00 0.00 55.73 55.60 1gm1 s ARG 64 Cb -0.25 -3.31 -0.06 0.00 -1.56 0.00 0.00 34.95 29.77 1gm1 s ARG 64 CO 0.40 -0.09 0.84 0.08 -0.81 0.00 0.00 175.30 175.71 1gm1 s VAL 65 N 1.37 4.62 -0.20 7.11 1.01 -0.44 -0.37 120.40 133.49 1gm1 s VAL 65 Ca 0.05 1.80 -0.10 0.00 0.00 0.00 0.00 61.98 63.74 1gm1 s VAL 65 Cb -0.15 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 1gm1 s VAL 65 CO 0.04 0.36 -0.26 0.18 0.00 0.00 0.00 175.10 175.42 1gm1 n LEU 66 N 2.71 1.41 -3.75 3.92 4.32 -0.32 -4.61 117.00 120.69 1gm1 n LEU 66 Ca -0.01 0.24 -0.13 0.00 -0.02 0.00 0.00 56.01 56.09 1gm1 n LEU 66 Cb 0.50 -0.59 -0.08 0.00 -1.62 0.00 0.00 43.42 41.63 1gm1 n LEU 66 CO 0.49 0.41 0.04 0.00 -1.22 0.00 0.00 177.39 177.11 1gm1 s ALA 67 N -2.37 -0.81 -0.27 -1.18 0.00 -0.74 -0.73 121.76 115.66 1gm1 s ALA 67 Ca -0.28 0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1gm1 s ALA 67 Cb 0.11 0.14 0.06 0.00 0.00 0.00 0.00 23.12 23.42 1gm1 s ALA 67 CO 0.35 -0.30 -0.07 0.54 0.00 0.00 0.00 175.76 176.28 1gm1 s VAL 68 N -1.62 2.47 -1.48 0.00 0.11 0.49 -1.32 120.40 119.04 1gm1 s VAL 68 Ca -0.11 -1.53 -0.12 0.00 -2.93 0.00 0.00 61.98 57.28 1gm1 s VAL 68 Cb -0.04 -2.43 0.06 0.00 -1.53 0.00 0.00 36.38 32.44 1gm1 s VAL 68 CO 0.03 -0.05 1.02 -3.20 -3.33 0.00 0.00 175.10 169.57 1gm1 n ASN 69 N 4.50 -5.31 0.00 3.54 5.15 0.77 -0.03 115.26 123.88 1gm1 n ASN 69 Ca -0.14 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.16 1gm1 n ASN 69 Cb 0.43 -4.22 0.00 0.00 -0.53 0.00 0.00 39.78 35.46 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 -1.76 1.20 3.43 8.20 0.00 -1.26 -4.85 105.19 110.15 1gm1 n GLY 70 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.34 4.93 -0.19 1.61 1.01 0.95 -5.04 120.40 121.33 1gm1 s VAL 71 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1gm1 s VAL 71 Cb 0.00 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1gm1 s VAL 71 CO 0.00 -0.22 1.22 -0.44 0.00 0.00 0.00 175.10 175.66 1gm1 s SER 72 N 1.63 6.96 -0.35 3.32 0.01 -1.26 -0.38 113.70 123.62 1gm1 s SER 72 Ca 0.04 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1gm1 s SER 72 Cb -0.19 -2.54 0.34 0.00 0.21 0.00 0.00 66.02 63.85 1gm1 s SER 72 CO 0.08 -0.76 1.82 0.18 0.41 0.00 0.00 173.24 174.97 1gm1 n LEU 73 N 6.61 6.14 -4.46 2.44 4.77 0.09 -4.85 117.00 127.74 1gm1 n LEU 73 Ca 0.14 -3.23 -0.44 0.00 -0.03 0.00 0.00 56.01 52.45 1gm1 n LEU 73 Cb 0.45 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 1gm1 n LEU 73 CO 0.55 1.09 0.99 -1.61 -1.33 0.00 0.00 177.39 177.09 1gm1 s GLU 74 N -2.23 3.54 0.00 3.23 2.02 -1.26 -2.57 118.70 121.43 1gm1 s GLU 74 Ca 0.38 -1.60 0.00 0.00 0.02 0.00 0.00 54.97 53.77 1gm1 s GLU 74 Cb 0.31 -4.87 0.00 0.00 0.10 0.00 0.00 34.13 29.67 1gm1 s GLU 74 CO 0.03 -1.81 0.00 0.41 0.02 0.00 0.00 175.26 173.91 1gm1 n GLY 75 N 5.59 0.92 3.79 -1.39 0.00 -1.26 -5.10 105.19 107.74 1gm1 n GLY 75 Ca 0.21 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 2.50 0.80 4.61 0.00 -1.06 -4.90 121.76 121.70 1gm1 s ALA 76 Ca 0.00 0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 1gm1 s ALA 76 Cb 0.00 -3.25 0.11 0.00 0.00 0.00 0.00 23.12 19.97 1gm1 s ALA 76 CO 0.00 -1.33 1.13 0.95 0.00 0.00 0.00 175.76 176.51 1gm1 s THR 77 N -2.71 2.12 0.16 0.00 -4.23 -1.26 -4.20 115.64 105.53 1gm1 s THR 77 Ca 0.62 -0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 60.81 1gm1 s THR 77 Cb -0.17 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.76 1gm1 s THR 77 CO 0.48 0.00 1.79 -0.74 -0.54 0.00 0.00 174.62 175.62 1gm1 h HIS 78 N -0.97 0.45 -0.73 3.99 2.76 -1.90 -2.91 115.15 115.84 1gm1 h HIS 78 Ca -0.44 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.79 1gm1 h HIS 78 Cb 1.29 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 30.06 1gm1 h HIS 78 CO -0.11 0.25 0.45 0.87 -1.30 0.00 0.00 177.93 178.08 1gm1 h LYS 79 N 0.48 0.83 0.21 5.26 6.56 -1.94 -3.22 116.57 124.75 1gm1 h LYS 79 Ca 0.18 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.73 1gm1 h LYS 79 Cb 0.05 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 31.49 1gm1 h LYS 79 CO -0.10 0.55 -0.29 1.96 -2.06 0.00 0.00 179.45 179.51 1gm1 h GLN 80 N 0.85 -0.54 -0.80 3.15 7.50 -1.88 0.50 115.11 123.88 1gm1 h GLN 80 Ca 0.31 0.04 0.14 0.00 0.50 0.00 0.00 58.65 59.63 1gm1 h GLN 80 Cb 0.08 0.12 -0.09 0.00 0.05 0.00 0.00 27.48 27.64 1gm1 h GLN 80 CO -0.14 -0.36 0.38 0.00 -1.50 0.00 0.00 178.83 177.22 1gm1 h ALA 81 N 0.08 1.17 0.10 3.87 0.00 -1.66 -0.15 119.26 122.66 1gm1 h ALA 81 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1gm1 h ALA 81 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1gm1 h ALA 81 CO -0.11 -0.12 -0.05 0.28 0.00 0.00 0.00 179.25 179.25 1gm1 h VAL 82 N 0.56 1.13 -0.05 0.00 2.07 -1.43 -0.75 116.25 117.79 1gm1 h VAL 82 Ca 0.43 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1gm1 h VAL 82 Cb 0.61 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1gm1 h VAL 82 CO -0.36 0.26 -0.21 -0.33 0.02 0.00 0.00 177.57 176.95 1gm1 h GLU 83 N -0.66 0.07 0.12 1.57 5.08 -0.88 -0.72 114.58 119.16 1gm1 h GLU 83 Ca -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1gm1 h GLU 83 Cb 0.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1gm1 h GLU 83 CO 0.02 0.28 -0.06 1.15 -1.00 0.00 0.00 179.01 179.41 1gm1 h THR 84 N 0.07 0.99 -0.69 1.13 2.02 -0.99 -0.30 112.91 115.14 1gm1 h THR 84 Ca 0.01 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1gm1 h THR 84 Cb 0.41 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1gm1 h THR 84 CO 0.03 0.10 0.43 -0.07 0.37 0.00 0.00 175.52 176.38 1gm1 h LEU 85 N -0.35 0.81 -0.50 2.58 3.38 -0.64 -2.05 115.31 118.54 1gm1 h LEU 85 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1gm1 h LEU 85 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1gm1 h LEU 85 CO 0.03 0.61 0.26 0.03 0.09 0.00 0.00 178.44 179.45 1gm1 h ARG 86 N 0.94 0.70 -2.27 1.13 2.47 -1.14 -3.26 114.38 112.96 1gm1 h ARG 86 Ca 0.25 -0.09 -0.71 0.00 -1.26 0.00 0.00 59.98 58.17 1gm1 h ARG 86 Cb -0.07 -0.13 -0.20 0.00 -1.65 0.00 0.00 29.97 27.92 1gm1 h ARG 86 CO -0.05 0.57 1.35 -1.71 0.56 0.00 0.00 179.97 180.68 1gm1 n ASN 87 N -4.64 7.41 -4.72 7.04 5.15 -0.13 -4.95 115.26 120.43 1gm1 n ASN 87 Ca 0.02 -3.42 -0.33 0.00 -0.60 0.00 0.00 54.58 50.26 1gm1 n ASN 87 Cb 0.10 -1.23 -0.08 0.00 -0.53 0.00 0.00 39.78 38.04 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 -2.91 4.39 0.00 -0.44 -4.23 -1.16 -4.87 115.64 106.41 1gm1 s THR 88 Ca 0.51 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1gm1 s THR 88 Cb 0.28 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1gm1 s THR 88 CO -0.19 0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1gm1 n GLY 89 N 1.25 1.09 0.24 3.99 0.00 -1.26 -5.01 105.19 105.49 1gm1 n GLY 89 Ca -0.14 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.51 -5.92 1.61 4.15 -1.98 -3.44 115.11 109.01 1gm1 h GLN 90 Ca 0.00 0.03 -0.67 0.00 0.77 0.00 0.00 58.65 58.78 1gm1 h GLN 90 Cb 0.00 0.12 -0.19 0.00 0.21 0.00 0.00 27.48 27.62 1gm1 h GLN 90 CO 0.00 -0.25 -0.68 0.08 -1.93 0.00 0.00 178.83 176.05 1gm1 s VAL 91 N -3.69 3.84 -0.13 2.39 1.01 -1.26 -1.83 120.40 120.73 1gm1 s VAL 91 Ca -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1gm1 s VAL 91 Cb 0.01 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1gm1 s VAL 91 CO 0.35 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 175.19 1gm1 s VAL 92 N -0.56 1.51 -0.65 2.92 1.01 0.17 -4.98 120.40 119.82 1gm1 s VAL 92 Ca 0.09 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1gm1 s VAL 92 Cb -0.12 -1.40 0.16 0.00 0.00 0.00 0.00 36.38 35.03 1gm1 s VAL 92 CO 0.02 0.45 0.59 -2.28 0.00 0.00 0.00 175.10 173.88 1gm1 s HIS 93 N 1.26 3.47 0.37 5.22 2.46 -1.26 0.14 115.29 126.94 1gm1 s HIS 93 Ca -0.00 -1.64 -0.09 0.00 0.47 0.00 0.00 55.06 53.80 1gm1 s HIS 93 Cb -0.14 -3.77 -0.06 0.00 -0.13 0.00 0.00 32.58 28.48 1gm1 s HIS 93 CO -0.06 -1.00 0.70 -0.51 -2.47 0.00 0.00 174.74 171.39 1gm1 s LEU 94 N 0.98 3.90 -0.04 8.88 1.43 0.55 -0.16 118.68 134.22 1gm1 s LEU 94 Ca 0.09 0.99 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 1gm1 s LEU 94 Cb -0.22 -3.85 -0.00 0.00 0.03 0.00 0.00 46.19 42.15 1gm1 s LEU 94 CO -0.02 -0.34 -0.16 -0.22 0.23 0.00 0.00 176.35 175.85 1gm1 s LEU 95 N -3.77 1.89 0.23 1.79 2.96 -0.44 -0.85 118.68 120.49 1gm1 s LEU 95 Ca 0.49 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 53.96 1gm1 s LEU 95 Cb -0.10 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 1gm1 s LEU 95 CO 0.31 0.14 0.43 -1.48 -1.32 0.00 0.00 176.35 174.42 1gm1 s LEU 96 N 0.06 0.45 -0.02 -0.68 0.05 -0.67 -1.18 118.68 116.70 1gm1 s LEU 96 Ca -0.03 -0.92 0.05 0.00 0.05 0.00 0.00 54.13 53.27 1gm1 s LEU 96 Cb -0.11 1.61 -0.03 0.00 -2.05 0.00 0.00 46.19 45.62 1gm1 s LEU 96 CO 0.02 -1.08 -0.16 -0.70 -0.55 0.00 0.00 176.35 173.88 1gm1 s GLU 97 N -4.01 2.36 -0.15 1.48 2.12 0.50 -0.89 118.70 120.12 1gm1 s GLU 97 Ca 0.22 -0.79 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 1gm1 s GLU 97 Cb 0.00 -2.31 -0.01 0.00 0.26 0.00 0.00 34.13 32.07 1gm1 s GLU 97 CO 0.07 0.59 1.21 0.21 -0.54 0.00 0.00 175.26 176.80 1gm1 s LYS 98 N -0.96 4.27 0.10 4.30 2.36 -0.20 -1.08 119.74 128.53 1gm1 s LYS 98 Ca 0.13 1.61 -0.23 0.00 -2.55 0.00 0.00 55.97 54.92 1gm1 s LYS 98 Cb -0.11 -3.70 -0.07 0.00 -1.05 0.00 0.00 37.83 32.91 1gm1 s LYS 98 CO 0.02 -0.63 0.70 0.20 1.55 0.00 0.00 175.35 177.19 1gm1 s GLY 99 N 1.73 2.80 0.49 5.54 0.00 -1.26 -1.66 107.32 114.97 1gm1 s GLY 99 Ca 0.53 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 45.47 1gm1 s GLY 99 CO 0.15 0.80 0.67 0.61 0.00 0.00 0.00 173.10 175.33 1gm1 n GLN 100 N 1.97 0.01 -4.25 2.90 10.64 -1.26 -4.72 117.38 122.67 1gm1 n GLN 100 Ca -0.06 -1.69 -0.28 0.00 -1.83 0.00 0.00 57.00 53.13 1gm1 n GLN 100 Cb 0.50 -0.49 -0.10 0.00 -0.86 0.00 0.00 30.24 29.29 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 -2.04 3.30 -2.00 -0.39 -7.23 -1.26 -4.97 120.40 105.82 1gm1 s VAL 101 Ca 0.44 -1.42 0.20 0.00 -1.81 0.00 0.00 61.98 59.38 1gm1 s VAL 101 Cb -0.02 -2.58 0.57 0.00 0.56 0.00 0.00 36.38 34.91 1gm1 s VAL 101 CO 0.29 0.02 1.59 -0.81 -0.31 0.00 0.00 175.10 175.88