#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 3.55 0.00 -1.58 -0.04 -1.26 -3.64 135.00 132.03 1gm1 n PRO 10 Ca 0.00 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1gm1 n PRO 10 Cb 0.00 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 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 3.61 0.28 3.95 0.55 0.00 -1.26 -4.48 105.19 107.84 1gm1 n GLY 11 Ca 0.72 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 5.51 0.04 1.61 2.15 -1.24 -4.72 116.67 120.02 1gm1 s ASP 12 Ca 0.00 0.28 0.04 0.00 0.43 0.00 0.00 52.55 53.30 1gm1 s ASP 12 Cb 0.00 -1.30 -0.04 0.00 -0.30 0.00 0.00 42.92 41.28 1gm1 s ASP 12 CO 0.00 -1.00 -0.02 0.42 -0.17 0.00 0.00 175.17 174.40 1gm1 s THR 13 N -2.77 3.94 -0.08 1.71 -4.23 -1.26 -0.65 115.64 112.30 1gm1 s THR 13 Ca 0.53 -0.83 -0.08 0.00 -1.18 0.00 0.00 61.69 60.13 1gm1 s THR 13 Cb -0.10 -2.80 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1gm1 s THR 13 CO 0.40 0.26 0.22 -0.36 -0.54 0.00 0.00 174.62 174.60 1gm1 s PHE 14 N -1.16 -0.23 0.03 3.99 0.08 -0.38 -5.01 117.98 115.29 1gm1 s PHE 14 Ca 0.22 0.56 -0.20 0.00 0.12 0.00 0.00 56.93 57.62 1gm1 s PHE 14 Cb -0.11 0.08 -0.06 0.00 -0.57 0.00 0.00 43.02 42.35 1gm1 s PHE 14 CO 0.13 -0.13 0.59 -1.21 -0.10 0.00 0.00 175.22 174.50 1gm1 s GLU 15 N 0.02 4.28 -0.24 0.44 2.02 -1.26 -1.40 118.70 122.55 1gm1 s GLU 15 Ca -0.01 0.74 0.01 0.00 0.02 0.00 0.00 54.97 55.73 1gm1 s GLU 15 Cb -0.02 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.95 1gm1 s GLU 15 CO 0.00 0.47 -0.11 0.08 0.02 0.00 0.00 175.26 175.73 1gm1 s VAL 16 N -0.54 2.44 -0.80 2.63 1.01 0.06 -4.99 120.40 120.23 1gm1 s VAL 16 Ca 0.30 -1.25 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1gm1 s VAL 16 Cb -0.19 -2.28 0.21 0.00 0.00 0.00 0.00 36.38 34.12 1gm1 s VAL 16 CO 0.18 0.17 0.70 -1.61 0.00 0.00 0.00 175.10 174.54 1gm1 s GLU 17 N 1.23 3.33 -0.10 2.72 2.02 -1.26 -0.30 118.70 126.35 1gm1 s GLU 17 Ca -0.02 -2.60 -0.03 0.00 0.02 0.00 0.00 54.97 52.33 1gm1 s GLU 17 Cb -0.17 -4.21 -0.03 0.00 0.10 0.00 0.00 34.13 29.82 1gm1 s GLU 17 CO -0.06 -1.25 0.04 -1.17 0.02 0.00 0.00 175.26 172.83 1gm1 s LEU 18 N -0.12 3.78 -0.24 1.80 2.96 -0.36 -4.90 118.68 121.59 1gm1 s LEU 18 Ca 0.19 0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 54.22 1gm1 s LEU 18 Cb -0.13 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1gm1 s LEU 18 CO -0.07 0.37 0.14 0.00 -1.32 0.00 0.00 176.35 175.47 1gm1 s ALA 19 N -0.85 3.48 0.10 5.97 0.00 -1.26 0.40 121.76 129.60 1gm1 s ALA 19 Ca 0.13 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.82 1gm1 s ALA 19 Cb -0.12 -2.26 -0.08 0.00 0.00 0.00 0.00 23.12 20.67 1gm1 s ALA 19 CO 0.03 -0.28 1.44 0.21 0.00 0.00 0.00 175.76 177.16 1gm1 s LYS 20 N 1.23 4.29 -0.23 0.00 2.20 -0.49 -4.98 119.74 121.76 1gm1 s LYS 20 Ca 0.06 2.12 -0.10 0.00 -0.36 0.00 0.00 55.97 57.70 1gm1 s LYS 20 Cb -0.14 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1gm1 s LYS 20 CO 0.05 -0.51 0.13 0.95 -0.36 0.00 0.00 175.35 175.62 1gm1 s THR 21 N 1.42 5.16 -1.50 3.43 -4.23 -1.21 -4.50 115.64 114.21 1gm1 s THR 21 Ca 0.66 0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 61.25 1gm1 s THR 21 Cb -0.37 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.09 1gm1 s THR 21 CO 0.30 0.37 0.29 -0.67 -0.54 0.00 0.00 174.62 174.38 1gm1 n ASP 22 N 4.14 -5.34 0.00 3.99 2.03 -1.26 -1.78 116.55 118.33 1gm1 n ASP 22 Ca -0.15 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.03 1gm1 n ASP 22 Cb 0.52 -4.40 0.00 0.00 -0.72 0.00 0.00 41.12 36.52 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 -1.19 2.01 3.48 0.27 0.00 -1.26 -5.02 105.19 103.49 1gm1 n GLY 23 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.49 4.36 -0.09 1.61 0.01 -0.73 -5.02 113.70 110.34 1gm1 s SER 24 Ca 0.00 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.05 1gm1 s SER 24 Cb 0.00 -1.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 1gm1 s SER 24 CO 0.00 0.27 -0.08 -0.07 0.41 0.00 0.00 173.24 173.77 1gm1 h LEU 25 N 5.96 0.00 0.00 2.44 3.38 -1.95 -3.21 115.31 121.93 1gm1 h LEU 25 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1gm1 h LEU 25 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1gm1 h LEU 25 CO 0.55 0.47 0.00 0.61 0.09 0.00 0.00 178.44 180.16 1gm1 n GLY 26 N 1.72 0.81 2.99 0.83 0.00 -1.26 0.22 105.19 110.50 1gm1 n GLY 26 Ca -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.28 0.03 -0.09 -0.61 2.07 -1.26 -0.88 121.20 120.17 1gm1 s ILE 27 Ca 0.00 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 1gm1 s ILE 27 Cb 0.00 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.38 1gm1 s ILE 27 CO 0.00 -0.12 -0.20 -0.55 -1.91 0.00 0.00 174.94 172.16 1gm1 s SER 28 N -0.35 3.44 0.33 4.50 0.15 -0.32 -4.94 113.70 116.52 1gm1 s SER 28 Ca -0.04 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.25 1gm1 s SER 28 Cb -0.03 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.99 1gm1 s SER 28 CO 0.00 0.20 0.09 0.68 1.20 0.00 0.00 173.24 175.41 1gm1 s VAL 29 N 0.09 2.94 0.25 4.45 -7.23 -1.26 -0.45 120.40 119.19 1gm1 s VAL 29 Ca -0.09 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.24 1gm1 s VAL 29 Cb -0.15 -2.91 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 1gm1 s VAL 29 CO 0.06 -0.21 0.29 0.28 -0.31 0.00 0.00 175.10 175.21 1gm1 s THR 30 N -2.44 0.00 0.00 5.32 -1.32 0.21 -4.67 115.64 112.74 1gm1 s THR 30 Ca 0.36 -1.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 1gm1 s THR 30 Cb -0.02 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 1gm1 s THR 30 CO 0.21 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.23 1gm1 n GLY 31 N -0.39 0.65 0.00 6.08 0.00 -1.26 -0.50 105.19 109.77 1gm1 n GLY 31 Ca 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 0.16 1.32 -0.02 0.00 -0.19 -4.02 105.19 102.45 1gm1 n GLY 32 Ca 0.00 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.15 1gm1 n GLY 32 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1gm1 n VAL 33 N 0.00 1.25 -0.05 1.61 3.14 -0.73 -1.62 118.33 121.93 1gm1 n VAL 33 Ca 0.00 -0.95 -0.01 0.00 -2.96 0.00 0.00 64.34 60.42 1gm1 n VAL 33 Cb 0.00 0.24 -0.00 0.00 -1.06 0.00 0.00 33.84 33.02 1gm1 n VAL 33 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1gm1 h ASN 34 N 3.68 0.00 -1.90 6.55 -0.00 -1.86 -3.46 115.58 118.60 1gm1 h ASN 34 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 56.30 55.84 1gm1 h ASN 34 Cb 1.10 0.00 0.05 0.00 -0.00 0.00 0.00 38.32 39.47 1gm1 h ASN 34 CO 0.11 0.48 -0.02 0.42 -0.00 0.00 0.00 177.43 178.42 1gm1 s THR 35 N -1.64 2.38 -1.05 -3.57 -4.23 -1.26 -4.98 115.64 101.29 1gm1 s THR 35 Ca -0.04 -0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 59.66 1gm1 s THR 35 Cb 0.01 -2.64 -0.08 0.00 1.34 0.00 0.00 72.50 71.13 1gm1 s THR 35 CO 0.06 0.00 2.99 -1.20 -0.54 0.00 0.00 174.62 175.93 1gm1 n SER 36 N -2.47 7.54 -1.11 3.99 7.64 -1.26 -4.44 113.62 123.52 1gm1 n SER 36 Ca 0.12 -2.73 0.12 0.00 1.01 0.00 0.00 58.87 57.39 1gm1 n SER 36 Cb 0.60 -1.45 0.19 0.00 -1.01 0.00 0.00 64.21 62.54 1gm1 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1gm1 n VAL 37 N 2.67 0.42 -0.12 0.44 0.24 -1.26 -5.01 118.33 115.71 1gm1 n VAL 37 Ca 0.64 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1gm1 n VAL 37 Cb 0.43 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 1gm1 n VAL 37 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gm1 n ARG 38 N 1.45 0.00 -1.58 7.34 5.12 -1.26 -4.67 116.66 123.06 1gm1 n ARG 38 Ca 0.18 0.12 -0.36 0.00 -1.93 0.00 0.00 57.85 55.86 1gm1 n ARG 38 Cb 0.60 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.87 1gm1 n ARG 38 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1gm1 s HIS 39 N -0.10 1.09 0.00 -1.55 3.76 -1.26 -0.53 115.29 116.70 1gm1 s HIS 39 Ca 0.00 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.42 1gm1 s HIS 39 Cb 0.00 -3.61 0.00 0.00 1.11 0.00 0.00 32.58 30.08 1gm1 s HIS 39 CO 0.00 -2.58 0.00 0.41 -0.85 0.00 0.00 174.74 171.72 1gm1 n GLY 40 N 5.99 1.01 3.55 -2.22 0.00 -0.64 -3.88 105.19 109.00 1gm1 n GLY 40 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 1.18 -0.14 -0.02 0.00 0.31 -4.25 107.32 102.40 1gm1 s GLY 41 Ca 0.00 -2.04 -0.23 0.00 0.00 0.00 0.00 44.72 42.44 1gm1 s GLY 41 CO 0.00 2.65 0.72 -0.42 0.00 0.00 0.00 173.10 176.06 1gm1 s ILE 42 N 5.10 4.98 0.17 0.90 -1.09 -1.26 -1.02 121.20 128.99 1gm1 s ILE 42 Ca 0.43 1.43 0.10 0.00 -2.23 0.00 0.00 60.65 60.38 1gm1 s ILE 42 Cb -0.02 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1gm1 s ILE 42 CO -0.03 0.14 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.29 1gm1 s TYR 43 N 1.56 2.07 -0.21 3.97 2.02 0.35 -0.88 117.35 126.23 1gm1 s TYR 43 Ca 0.35 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.35 1gm1 s TYR 43 Cb -0.17 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1gm1 s TYR 43 CO 0.14 0.40 1.24 0.08 -1.57 0.00 0.00 175.55 175.84 1gm1 s VAL 44 N -1.74 4.31 -0.13 0.71 1.01 0.02 -0.62 120.40 123.97 1gm1 s VAL 44 Ca 0.17 1.57 -0.13 0.00 0.00 0.00 0.00 61.98 63.59 1gm1 s VAL 44 Cb -0.07 -4.09 -0.26 0.00 0.00 0.00 0.00 36.38 31.96 1gm1 s VAL 44 CO 0.08 -0.22 0.42 0.50 0.00 0.00 0.00 175.10 175.88 1gm1 h LYS 45 N 8.33 0.22 -2.31 2.72 3.64 -1.03 -1.66 116.57 126.48 1gm1 h LYS 45 Ca -0.25 -0.38 -0.07 0.00 -1.27 0.00 0.00 60.65 58.68 1gm1 h LYS 45 Cb 1.09 0.14 -0.19 0.00 -0.41 0.00 0.00 32.23 32.87 1gm1 h LYS 45 CO 0.99 1.18 0.09 0.00 -2.27 0.00 0.00 179.45 179.43 1gm1 s ALA 46 N -2.50 -1.53 -0.25 5.00 0.00 -0.92 -4.80 121.76 116.75 1gm1 s ALA 46 Ca -0.22 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 1gm1 s ALA 46 Cb 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 1gm1 s ALA 46 CO 0.74 -0.38 0.01 -1.50 0.00 0.00 0.00 175.76 174.64 1gm1 s ILE 47 N -1.43 3.66 -0.24 0.00 1.10 -1.26 -1.18 121.20 121.86 1gm1 s ILE 47 Ca -0.10 -0.57 -0.29 0.00 -0.51 0.00 0.00 60.65 59.17 1gm1 s ILE 47 Cb -0.01 -2.77 -0.00 0.00 0.15 0.00 0.00 42.46 39.82 1gm1 s ILE 47 CO 0.07 0.27 1.26 -0.63 -2.11 0.00 0.00 174.94 173.79 1gm1 s ILE 48 N 1.49 4.26 0.13 2.00 -1.09 -0.06 -4.93 121.20 123.00 1gm1 s ILE 48 Ca 0.04 1.48 -0.35 0.00 -2.23 0.00 0.00 60.65 59.59 1gm1 s ILE 48 Cb -0.16 -4.11 -0.14 0.00 -1.58 0.00 0.00 42.46 36.47 1gm1 s ILE 48 CO -0.00 -0.30 1.54 -2.65 -1.23 0.00 0.00 174.94 172.29 1gm1 n PRO 49 N 6.91 1.93 -1.03 2.79 -0.02 -1.26 -1.88 135.00 142.43 1gm1 n PRO 49 Ca 0.14 0.70 -0.01 0.00 -2.02 0.00 0.00 63.50 62.30 1gm1 n PRO 49 Cb 0.46 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 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 3.34 -0.21 -2.03 -0.52 5.02 -1.26 -5.05 118.16 117.45 1gm1 n LYS 50 Ca 0.18 0.31 -0.29 0.00 -2.02 0.00 0.00 58.31 56.49 1gm1 n LYS 50 Cb 0.27 -3.69 0.05 0.00 -0.02 0.00 0.00 35.03 31.63 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 -2.46 1.62 0.12 0.72 0.00 -0.79 -4.89 107.32 101.65 1gm1 s GLY 51 Ca 0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 44.72 43.88 1gm1 s GLY 51 CO 0.00 -0.14 1.56 0.00 0.00 0.00 0.00 173.10 174.52 1gm1 h ALA 52 N -0.60 -0.79 0.02 3.20 0.00 -0.94 -0.52 119.26 119.62 1gm1 h ALA 52 Ca -0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1gm1 h ALA 52 Cb 1.27 0.92 0.00 0.00 0.00 0.00 0.00 17.79 19.98 1gm1 h ALA 52 CO 0.63 -1.04 -0.01 0.00 0.00 0.00 0.00 179.25 178.84 1gm1 h ALA 53 N -0.16 -0.02 -0.31 0.00 0.00 -0.52 -2.23 119.26 116.02 1gm1 h ALA 53 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gm1 h ALA 53 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1gm1 h ALA 53 CO -0.41 -0.44 0.00 -1.91 0.00 0.00 0.00 179.25 176.49 1gm1 n GLU 54 N -5.03 0.00 0.14 0.00 0.00 -1.23 -3.20 120.64 111.32 1gm1 n GLU 54 Ca -0.08 0.90 0.12 0.00 0.00 0.00 0.00 57.16 58.11 1gm1 n GLU 54 Cb 0.10 -1.45 0.50 0.00 0.00 0.00 0.00 31.44 30.60 1gm1 n GLU 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1gm1 n SER 55 N -2.71 0.71 0.37 4.31 2.88 -0.20 -2.96 113.62 116.02 1gm1 n SER 55 Ca 0.00 0.68 -0.16 0.00 -1.33 0.00 0.00 58.87 58.06 1gm1 n SER 55 Cb 0.00 -0.83 -0.08 0.00 -0.75 0.00 0.00 64.21 62.56 1gm1 n SER 55 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1gm1 h ASP 56 N 0.00 -0.81 0.00 -3.46 3.58 -1.36 -3.49 116.42 110.88 1gm1 h ASP 56 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1gm1 h ASP 56 Cb 0.37 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1gm1 h ASP 56 CO 0.00 -0.45 0.00 0.61 -2.88 0.00 0.00 179.24 176.52 1gm1 n GLY 57 N -0.80 1.77 0.13 -0.78 0.00 -1.15 -4.96 105.19 99.39 1gm1 n GLY 57 Ca -0.12 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1gm1 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gm1 n ARG 58 N -1.06 0.71 -3.48 1.61 5.12 -1.26 -4.95 116.66 113.35 1gm1 n ARG 58 Ca 0.00 0.27 -0.39 0.00 -1.93 0.00 0.00 57.85 55.80 1gm1 n ARG 58 Cb 0.05 -1.66 -0.10 0.00 -1.16 0.00 0.00 32.46 29.59 1gm1 n ARG 58 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1gm1 s ILE 59 N -2.53 5.23 0.38 0.55 1.01 -1.26 -4.95 121.20 119.64 1gm1 s ILE 59 Ca -0.27 0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1gm1 s ILE 59 Cb 0.07 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1gm1 s ILE 59 CO 0.70 0.13 0.09 -1.00 0.00 0.00 0.00 174.94 174.86 1gm1 s HIS 60 N 1.92 1.86 0.19 3.97 3.76 -1.26 -4.71 115.29 121.02 1gm1 s HIS 60 Ca 0.11 -1.13 -0.32 0.00 -0.15 0.00 0.00 55.06 53.57 1gm1 s HIS 60 Cb -0.16 -1.24 -0.11 0.00 1.11 0.00 0.00 32.58 32.18 1gm1 s HIS 60 CO 0.11 -0.14 1.63 0.21 -0.85 0.00 0.00 174.74 175.70 1gm1 s LYS 61 N -3.80 4.17 0.00 1.40 2.20 -1.26 -2.31 119.74 120.15 1gm1 s LYS 61 Ca 0.28 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 1gm1 s LYS 61 Cb 0.05 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1gm1 s LYS 61 CO 0.14 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 1gm1 n GLY 62 N 3.71 0.43 3.83 5.54 0.00 -0.62 -4.85 105.19 113.24 1gm1 n GLY 62 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.58 6.12 -0.22 1.61 1.01 -0.98 -4.18 116.67 117.44 1gm1 s ASP 63 Ca 0.00 1.62 -0.06 0.00 0.71 0.00 0.00 52.55 54.82 1gm1 s ASP 63 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 1gm1 s ASP 63 CO 0.00 -0.94 0.04 -0.60 0.21 0.00 0.00 175.17 173.88 1gm1 s ARG 64 N -4.42 3.67 0.02 8.23 6.06 0.15 -0.80 118.95 131.86 1gm1 s ARG 64 Ca 0.59 -0.48 -0.24 0.00 -2.50 0.00 0.00 55.73 53.10 1gm1 s ARG 64 Cb -0.13 -3.21 -0.05 0.00 0.06 0.00 0.00 34.95 31.63 1gm1 s ARG 64 CO 0.41 -0.06 0.73 0.08 -2.50 0.00 0.00 175.30 173.96 1gm1 s VAL 65 N 1.22 4.82 -0.16 7.11 1.01 -0.06 -0.74 120.40 133.61 1gm1 s VAL 65 Ca 0.04 1.54 -0.09 0.00 0.00 0.00 0.00 61.98 63.47 1gm1 s VAL 65 Cb -0.14 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 1gm1 s VAL 65 CO 0.02 0.35 -0.22 0.18 0.00 0.00 0.00 175.10 175.43 1gm1 n LEU 66 N 3.00 1.29 -3.73 3.92 4.32 -0.87 -4.50 117.00 120.43 1gm1 n LEU 66 Ca -0.03 0.22 -0.14 0.00 -0.02 0.00 0.00 56.01 56.05 1gm1 n LEU 66 Cb 0.51 -0.53 -0.09 0.00 -1.62 0.00 0.00 43.42 41.69 1gm1 n LEU 66 CO 0.47 0.23 0.07 0.00 -1.22 0.00 0.00 177.39 176.94 1gm1 s ALA 67 N -2.36 -0.91 -0.27 -1.18 0.00 -0.73 -1.47 121.76 114.85 1gm1 s ALA 67 Ca -0.23 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1gm1 s ALA 67 Cb 0.08 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1gm1 s ALA 67 CO 0.30 -0.26 -0.08 0.08 0.00 0.00 0.00 175.76 175.81 1gm1 s VAL 68 N -1.05 2.47 -1.30 0.00 1.01 0.04 -2.25 120.40 119.33 1gm1 s VAL 68 Ca -0.11 -1.47 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 1gm1 s VAL 68 Cb -0.04 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1gm1 s VAL 68 CO 0.04 0.00 1.12 -3.20 0.00 0.00 0.00 175.10 173.06 1gm1 n ASN 69 N 4.52 -6.18 0.00 3.32 5.15 0.13 -1.86 115.26 120.34 1gm1 n ASN 69 Ca -0.14 -0.51 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 1gm1 n ASN 69 Cb 0.43 -4.81 0.00 0.00 -0.53 0.00 0.00 39.78 34.87 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 -1.93 3.08 3.64 8.20 0.00 -1.25 -4.99 105.19 111.94 1gm1 n GLY 70 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.74 4.82 0.22 1.61 1.01 -0.78 -5.03 120.40 119.52 1gm1 s VAL 71 Ca 0.00 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 1gm1 s VAL 71 Cb 0.00 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1gm1 s VAL 71 CO 0.00 -0.10 1.20 -0.94 0.00 0.00 0.00 175.10 175.26 1gm1 s SER 72 N 1.35 7.08 0.00 3.32 1.04 -1.26 -0.78 113.70 124.44 1gm1 s SER 72 Ca 0.35 2.30 0.27 0.00 0.48 0.00 0.00 55.95 59.35 1gm1 s SER 72 Cb -0.15 -2.62 0.87 0.00 0.10 0.00 0.00 66.02 64.23 1gm1 s SER 72 CO 0.08 -0.35 1.64 0.18 0.98 0.00 0.00 173.24 175.77 1gm1 n LEU 73 N 2.08 0.70 -4.55 2.42 4.77 -0.54 -4.84 117.00 117.03 1gm1 n LEU 73 Ca 0.03 -0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.60 1gm1 n LEU 73 Cb 0.44 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1gm1 n LEU 73 CO 0.56 0.14 1.50 -0.70 -1.33 0.00 0.00 177.39 177.56 1gm1 s GLU 74 N -2.62 2.51 0.00 3.23 2.12 -1.26 -1.10 118.70 121.58 1gm1 s GLU 74 Ca 0.23 0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.82 1gm1 s GLU 74 Cb 0.19 -4.71 0.00 0.00 0.26 0.00 0.00 34.13 29.88 1gm1 s GLU 74 CO 0.54 -3.13 0.00 0.41 -0.54 0.00 0.00 175.26 172.54 1gm1 n GLY 75 N 6.26 1.20 3.78 -1.50 0.00 -1.25 -4.93 105.19 108.76 1gm1 n GLY 75 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.80 2.43 0.83 4.61 0.00 -0.26 -4.77 121.76 123.80 1gm1 s ALA 76 Ca 0.00 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 1gm1 s ALA 76 Cb 0.00 -3.25 0.17 0.00 0.00 0.00 0.00 23.12 20.04 1gm1 s ALA 76 CO 0.00 -1.49 1.14 0.95 0.00 0.00 0.00 175.76 176.36 1gm1 s THR 77 N -2.82 2.03 0.06 0.00 -4.23 -1.26 -1.77 115.64 107.64 1gm1 s THR 77 Ca 0.61 -0.38 -0.20 0.00 -1.18 0.00 0.00 61.69 60.55 1gm1 s THR 77 Cb -0.17 -2.66 -0.12 0.00 1.34 0.00 0.00 72.50 70.90 1gm1 s THR 77 CO 0.52 0.00 1.46 -0.74 -0.54 0.00 0.00 174.62 175.32 1gm1 h HIS 78 N -1.02 0.38 -0.93 3.99 2.76 -1.95 -2.97 115.15 115.42 1gm1 h HIS 78 Ca -0.38 -0.08 0.06 0.00 -2.20 0.00 0.00 60.37 57.77 1gm1 h HIS 78 Cb 1.25 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 30.05 1gm1 h HIS 78 CO -0.68 0.59 0.59 -0.22 -1.30 0.00 0.00 177.93 176.91 1gm1 h LYS 79 N 0.06 1.05 -0.03 5.26 1.63 -1.95 -2.13 116.57 120.45 1gm1 h LYS 79 Ca 0.05 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1gm1 h LYS 79 Cb 0.47 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1gm1 h LYS 79 CO 0.02 0.69 -0.10 1.96 -3.45 0.00 0.00 179.45 178.57 1gm1 h GLN 80 N 1.08 -0.16 -0.72 1.90 1.08 -1.93 0.72 115.11 117.09 1gm1 h GLN 80 Ca 0.40 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.55 1gm1 h GLN 80 Cb 0.15 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1gm1 h GLN 80 CO -0.17 -0.10 0.23 0.00 -0.95 0.00 0.00 178.83 177.84 1gm1 h ALA 81 N 0.84 0.94 -0.25 3.87 0.00 -1.36 0.18 119.26 123.48 1gm1 h ALA 81 Ca 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1gm1 h ALA 81 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1gm1 h ALA 81 CO -0.13 0.62 0.00 0.28 0.00 0.00 0.00 179.25 180.02 1gm1 h VAL 82 N 1.06 1.25 -1.00 0.00 2.07 -1.23 0.14 116.25 118.54 1gm1 h VAL 82 Ca 0.23 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.89 1gm1 h VAL 82 Cb 0.30 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1gm1 h VAL 82 CO -0.01 0.28 0.66 -0.33 0.02 0.00 0.00 177.57 178.19 1gm1 h GLU 83 N 0.22 1.24 -0.36 1.57 5.08 -0.73 -1.70 114.58 119.90 1gm1 h GLU 83 Ca 0.07 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1gm1 h GLU 83 Cb 0.41 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1gm1 h GLU 83 CO 0.01 0.82 -0.16 1.15 -1.00 0.00 0.00 179.01 179.84 1gm1 h THR 84 N 1.28 1.28 -0.16 1.13 2.02 -0.72 -1.10 112.91 116.65 1gm1 h THR 84 Ca 0.40 -1.27 -0.11 0.00 0.77 0.00 0.00 66.41 66.19 1gm1 h THR 84 Cb -0.02 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1gm1 h THR 84 CO -0.12 0.42 -0.40 -0.07 0.37 0.00 0.00 175.52 175.72 1gm1 h LEU 85 N 0.53 0.36 -0.60 2.58 3.38 -0.51 -2.73 115.31 118.33 1gm1 h LEU 85 Ca 0.08 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1gm1 h LEU 85 Cb 0.70 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1gm1 h LEU 85 CO 0.05 0.73 -0.63 0.08 0.09 0.00 0.00 178.44 178.76 1gm1 h ARG 86 N 0.29 0.26 -2.03 1.13 -0.00 -1.29 -3.21 114.38 109.52 1gm1 h ARG 86 Ca 0.03 -0.19 -0.08 0.00 -0.00 0.00 0.00 59.98 59.74 1gm1 h ARG 86 Cb 0.83 0.03 -0.03 0.00 -0.00 0.00 0.00 29.97 30.80 1gm1 h ARG 86 CO 0.07 0.80 -0.15 -1.71 -0.00 0.00 0.00 179.97 178.98 1gm1 n ASN 87 N -3.86 4.92 -4.80 0.08 5.15 -0.42 -4.85 115.26 111.49 1gm1 n ASN 87 Ca -0.03 -2.36 -0.26 0.00 -0.60 0.00 0.00 54.58 51.33 1gm1 n ASN 87 Cb 0.64 -1.18 -0.05 0.00 -0.53 0.00 0.00 39.78 38.65 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 0.62 4.47 0.00 -0.44 -4.23 -1.21 -4.92 115.64 109.92 1gm1 s THR 88 Ca 0.29 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1gm1 s THR 88 Cb 0.14 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1gm1 s THR 88 CO 0.00 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1gm1 n GLY 89 N -0.34 1.47 0.25 3.99 0.00 -1.26 -5.03 105.19 104.26 1gm1 n GLY 89 Ca -0.08 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.54 -5.48 1.61 4.15 -1.95 -3.45 115.11 109.45 1gm1 h GLN 90 Ca 0.00 0.04 -0.59 0.00 0.77 0.00 0.00 58.65 58.86 1gm1 h GLN 90 Cb 0.00 0.12 -0.11 0.00 0.21 0.00 0.00 27.48 27.71 1gm1 h GLN 90 CO 0.00 -0.36 -0.24 0.54 -1.93 0.00 0.00 178.83 176.84 1gm1 s VAL 91 N -3.40 5.24 -0.22 2.39 0.11 -1.26 -1.39 120.40 121.85 1gm1 s VAL 91 Ca -0.08 0.68 0.02 0.00 -2.93 0.00 0.00 61.98 59.67 1gm1 s VAL 91 Cb 0.01 -3.70 0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1gm1 s VAL 91 CO 0.25 0.31 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.49 1gm1 s VAL 92 N 0.93 2.06 -0.69 2.04 1.01 0.16 -4.97 120.40 120.94 1gm1 s VAL 92 Ca 0.19 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 1gm1 s VAL 92 Cb -0.14 -2.05 0.18 0.00 0.00 0.00 0.00 36.38 34.36 1gm1 s VAL 92 CO 0.07 0.20 0.61 -1.00 0.00 0.00 0.00 175.10 174.98 1gm1 s HIS 93 N 1.21 3.54 0.25 5.22 3.76 -1.26 -1.22 115.29 126.79 1gm1 s HIS 93 Ca -0.03 -1.84 0.06 0.00 -0.15 0.00 0.00 55.06 53.10 1gm1 s HIS 93 Cb -0.17 -3.72 -0.03 0.00 1.11 0.00 0.00 32.58 29.76 1gm1 s HIS 93 CO -0.08 -0.99 0.30 -0.51 -0.85 0.00 0.00 174.74 172.61 1gm1 s LEU 94 N 0.69 4.11 -0.05 0.89 1.43 0.59 -0.70 118.68 125.65 1gm1 s LEU 94 Ca 0.12 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1gm1 s LEU 94 Cb -0.19 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.39 1gm1 s LEU 94 CO -0.04 -0.06 -0.13 -0.22 0.23 0.00 0.00 176.35 176.12 1gm1 s LEU 95 N -3.93 1.77 0.15 1.79 2.96 -0.95 -0.76 118.68 119.71 1gm1 s LEU 95 Ca 0.34 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 1gm1 s LEU 95 Cb -0.09 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 1gm1 s LEU 95 CO 0.27 0.08 0.23 -1.48 -1.32 0.00 0.00 176.35 174.13 1gm1 s LEU 96 N 0.37 1.18 -0.08 -0.68 -0.00 -0.50 -1.78 118.68 117.20 1gm1 s LEU 96 Ca -0.09 -0.90 0.04 0.00 -0.00 0.00 0.00 54.13 53.17 1gm1 s LEU 96 Cb -0.13 1.00 -0.02 0.00 -0.00 0.00 0.00 46.19 47.05 1gm1 s LEU 96 CO 0.03 -0.84 -0.19 -0.70 -0.00 0.00 0.00 176.35 174.65 1gm1 s GLU 97 N -3.97 2.78 0.36 1.48 2.12 0.08 -1.25 118.70 120.30 1gm1 s GLU 97 Ca 0.17 -0.79 -0.25 0.00 0.36 0.00 0.00 54.97 54.45 1gm1 s GLU 97 Cb 0.04 -2.35 -0.10 0.00 0.26 0.00 0.00 34.13 31.99 1gm1 s GLU 97 CO -0.01 0.39 1.00 0.21 -0.54 0.00 0.00 175.26 176.31 1gm1 s LYS 98 N -0.15 4.40 -0.18 4.30 2.47 0.18 -0.67 119.74 130.09 1gm1 s LYS 98 Ca -0.02 1.43 -0.29 0.00 -1.56 0.00 0.00 55.97 55.53 1gm1 s LYS 98 Cb -0.14 -2.70 -0.05 0.00 -1.46 0.00 0.00 37.83 33.48 1gm1 s LYS 98 CO 0.04 0.09 2.08 0.20 0.16 0.00 0.00 175.35 177.92 1gm1 s GLY 99 N -1.56 0.79 0.34 5.54 0.00 -1.26 -4.29 107.32 106.88 1gm1 s GLY 99 Ca 0.53 0.82 0.14 0.00 0.00 0.00 0.00 44.72 46.21 1gm1 s GLY 99 CO 0.26 3.63 1.73 0.06 0.00 0.00 0.00 173.10 178.78 1gm1 h GLN 100 N 13.61 0.00 -4.86 2.90 3.07 -1.86 -3.35 115.11 124.62 1gm1 h GLN 100 Ca -0.42 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 57.65 1gm1 h GLN 100 Cb 1.23 0.00 -0.34 0.00 0.08 0.00 0.00 27.48 28.45 1gm1 h GLN 100 CO 0.97 0.46 -0.75 0.54 0.09 0.00 0.00 178.83 180.14 1gm1 s VAL 101 N -3.84 2.67 -2.09 1.86 0.11 -1.26 -4.88 120.40 112.97 1gm1 s VAL 101 Ca -0.02 -1.32 0.31 0.00 -2.93 0.00 0.00 61.98 58.03 1gm1 s VAL 101 Cb 0.13 -2.47 0.84 0.00 -1.53 0.00 0.00 36.38 33.36 1gm1 s VAL 101 CO 0.73 0.05 2.14 -0.81 -3.33 0.00 0.00 175.10 173.87