#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 -1.58 0.00 1.97 0.02 -1.26 -4.51 135.00 129.64 1gm1 s PRO 10 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 61.00 61.04 1gm1 s PRO 10 Cb 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 34.50 32.97 1gm1 s PRO 10 CO 0.00 -3.97 0.00 0.41 -0.33 0.00 0.00 177.00 173.11 1gm1 n GLY 11 N -0.35 1.20 3.81 0.52 0.00 -1.01 -5.05 105.19 104.31 1gm1 n GLY 11 Ca 0.12 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.43 6.51 0.20 1.61 2.15 -1.24 -4.89 116.67 118.57 1gm1 s ASP 12 Ca 0.00 0.60 -0.02 0.00 0.43 0.00 0.00 52.55 53.56 1gm1 s ASP 12 Cb 0.00 -2.16 -0.05 0.00 -0.30 0.00 0.00 42.92 40.42 1gm1 s ASP 12 CO 0.00 0.28 0.41 0.42 -0.17 0.00 0.00 175.17 176.11 1gm1 s THR 13 N -0.49 5.17 -0.09 1.71 -4.23 -1.26 -0.32 115.64 116.13 1gm1 s THR 13 Ca 0.17 -0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.38 1gm1 s THR 13 Cb -0.14 -3.71 0.03 0.00 1.34 0.00 0.00 72.50 70.02 1gm1 s THR 13 CO 0.06 -0.15 0.24 0.72 -0.54 0.00 0.00 174.62 174.95 1gm1 s PHE 14 N -1.86 -0.28 -0.17 3.99 -0.71 -0.35 -4.95 117.98 113.65 1gm1 s PHE 14 Ca 0.40 0.68 -0.15 0.00 -1.04 0.00 0.00 56.93 56.81 1gm1 s PHE 14 Cb -0.11 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 1gm1 s PHE 14 CO 0.28 -0.15 0.37 -1.21 -1.34 0.00 0.00 175.22 173.17 1gm1 s GLU 15 N 0.41 4.24 -0.63 1.99 8.01 -1.26 -1.70 118.70 129.75 1gm1 s GLU 15 Ca -0.02 0.20 -0.01 0.00 0.01 0.00 0.00 54.97 55.14 1gm1 s GLU 15 Cb -0.04 -3.47 0.16 0.00 -4.31 0.00 0.00 34.13 26.47 1gm1 s GLU 15 CO -0.02 0.11 0.43 0.08 0.01 0.00 0.00 175.26 175.87 1gm1 s VAL 16 N 0.84 3.48 -1.08 2.63 1.01 -0.44 -4.98 120.40 121.86 1gm1 s VAL 16 Ca 0.19 -3.20 -0.13 0.00 0.00 0.00 0.00 61.98 58.83 1gm1 s VAL 16 Cb -0.14 -3.28 0.20 0.00 0.00 0.00 0.00 36.38 33.16 1gm1 s VAL 16 CO 0.07 -0.89 1.20 -1.61 0.00 0.00 0.00 175.10 173.87 1gm1 s GLU 17 N -0.32 3.97 0.30 2.72 2.02 -1.26 -0.24 118.70 125.89 1gm1 s GLU 17 Ca 0.18 -2.59 0.08 0.00 0.02 0.00 0.00 54.97 52.66 1gm1 s GLU 17 Cb -0.20 -4.81 -0.04 0.00 0.10 0.00 0.00 34.13 29.18 1gm1 s GLU 17 CO -0.04 -1.56 0.16 -0.48 0.02 0.00 0.00 175.26 173.36 1gm1 s LEU 18 N 0.81 3.46 -0.16 1.80 0.05 -0.76 -4.87 118.68 119.02 1gm1 s LEU 18 Ca 0.34 -0.55 -0.07 0.00 0.05 0.00 0.00 54.13 53.90 1gm1 s LEU 18 Cb -0.06 -2.00 -0.04 0.00 -2.05 0.00 0.00 46.19 42.04 1gm1 s LEU 18 CO -0.05 -0.18 0.09 0.00 -0.55 0.00 0.00 176.35 175.65 1gm1 s ALA 19 N -2.30 3.57 -0.07 1.48 0.00 -1.26 0.14 121.76 123.32 1gm1 s ALA 19 Ca 0.36 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1gm1 s ALA 19 Cb -0.05 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1gm1 s ALA 19 CO 0.24 0.34 1.45 0.21 0.00 0.00 0.00 175.76 178.00 1gm1 s LYS 20 N -0.14 4.23 -0.27 0.00 2.20 0.14 -4.77 119.74 121.13 1gm1 s LYS 20 Ca 0.08 1.96 -0.16 0.00 -0.36 0.00 0.00 55.97 57.50 1gm1 s LYS 20 Cb -0.12 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 1gm1 s LYS 20 CO 0.01 -0.71 0.42 0.95 -0.36 0.00 0.00 175.35 175.66 1gm1 s THR 21 N 3.29 5.14 0.00 3.43 -4.23 -1.18 -4.35 115.64 117.75 1gm1 s THR 21 Ca 0.65 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1gm1 s THR 21 Cb -0.29 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.80 1gm1 s THR 21 CO 0.24 0.11 0.00 -0.67 -0.54 0.00 0.00 174.62 173.76 1gm1 n ASP 22 N 5.41 -4.49 0.00 3.99 2.03 -1.26 -1.37 116.55 120.86 1gm1 n ASP 22 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1gm1 n ASP 22 Cb 0.50 -3.11 0.00 0.00 -0.72 0.00 0.00 41.12 37.80 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 0.14 0.80 3.19 0.27 0.00 -1.26 -5.10 105.19 103.22 1gm1 n GLY 23 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.91 2.79 0.03 1.61 0.01 -0.47 -5.00 113.70 110.75 1gm1 s SER 24 Ca 0.00 -0.49 -0.19 0.00 1.31 0.00 0.00 55.95 56.58 1gm1 s SER 24 Cb 0.00 -1.08 -0.19 0.00 0.21 0.00 0.00 66.02 64.96 1gm1 s SER 24 CO 0.00 0.16 1.20 -0.07 0.41 0.00 0.00 173.24 174.94 1gm1 h LEU 25 N 6.52 0.55 0.00 2.44 3.38 -1.94 -3.05 115.31 123.20 1gm1 h LEU 25 Ca -0.26 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1gm1 h LEU 25 Cb 1.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1gm1 h LEU 25 CO 0.47 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.73 1gm1 n GLY 26 N 0.75 1.99 3.61 0.83 0.00 -1.26 0.53 105.19 111.64 1gm1 n GLY 26 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1gm1 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gm1 s ILE 27 N -2.00 4.22 -0.21 -0.61 -4.36 -1.26 -0.90 121.20 116.08 1gm1 s ILE 27 Ca 0.00 -0.26 -0.01 0.00 -0.26 0.00 0.00 60.65 60.11 1gm1 s ILE 27 Cb 0.00 -2.81 0.06 0.00 1.25 0.00 0.00 42.46 40.96 1gm1 s ILE 27 CO 0.00 0.55 0.01 -0.44 0.24 0.00 0.00 174.94 175.29 1gm1 s SER 28 N -0.29 3.28 0.31 4.36 0.01 -0.66 -4.83 113.70 115.88 1gm1 s SER 28 Ca 0.06 -0.98 0.06 0.00 1.31 0.00 0.00 55.95 56.40 1gm1 s SER 28 Cb -0.12 -0.81 -0.01 0.00 0.21 0.00 0.00 66.02 65.28 1gm1 s SER 28 CO 0.02 -0.28 0.44 0.68 0.41 0.00 0.00 173.24 174.51 1gm1 s VAL 29 N 1.68 4.39 0.26 3.43 -7.23 -1.26 -0.94 120.40 120.74 1gm1 s VAL 29 Ca -0.02 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.10 1gm1 s VAL 29 Cb -0.18 -3.53 -0.02 0.00 0.56 0.00 0.00 36.38 33.21 1gm1 s VAL 29 CO -0.08 -0.20 0.34 0.28 -0.31 0.00 0.00 175.10 175.12 1gm1 s THR 30 N -2.12 0.00 0.00 5.32 -1.32 0.35 -4.71 115.64 113.16 1gm1 s THR 30 Ca 0.42 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.19 1gm1 s THR 30 Cb -0.09 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1gm1 s THR 30 CO 0.31 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.33 1gm1 n GLY 31 N -0.40 -2.96 0.00 6.08 0.00 -1.26 -0.18 105.19 106.46 1gm1 n GLY 31 Ca 0.01 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.14 0.69 0.15 -0.02 0.00 -0.51 -3.93 105.19 101.44 1gm1 n GLY 32 Ca 0.00 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1gm1 h VAL 33 N 4.04 1.35 -0.55 1.61 3.04 -1.43 -3.27 116.25 121.04 1gm1 h VAL 33 Ca 0.00 -2.46 0.00 0.00 -1.01 0.00 0.00 66.70 63.23 1gm1 h VAL 33 Cb 0.00 2.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 1gm1 h VAL 33 CO 0.00 0.73 0.00 -3.20 -1.01 0.00 0.00 177.57 174.09 1gm1 n ASN 34 N -3.92 3.52 -4.88 3.17 5.15 -1.26 -4.57 115.26 112.48 1gm1 n ASN 34 Ca -0.14 -1.98 -0.30 0.00 -0.60 0.00 0.00 54.58 51.56 1gm1 n ASN 34 Cb 0.93 -0.36 -0.01 0.00 -0.53 0.00 0.00 39.78 39.81 1gm1 n ASN 34 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1gm1 s THR 35 N -1.28 4.78 0.00 -0.44 2.01 -1.23 -4.94 115.64 114.54 1gm1 s THR 35 Ca 0.43 0.61 -0.03 0.00 0.31 0.00 0.00 61.69 63.01 1gm1 s THR 35 Cb 0.23 -3.82 -0.15 0.00 0.01 0.00 0.00 72.50 68.77 1gm1 s THR 35 CO 0.31 -0.85 2.47 -1.54 -0.69 0.00 0.00 174.62 174.32 1gm1 n SER 36 N -2.12 3.81 -4.16 3.53 3.41 -1.26 -4.74 113.62 112.09 1gm1 n SER 36 Ca 0.03 -2.17 -0.20 0.00 -0.26 0.00 0.00 58.87 56.28 1gm1 n SER 36 Cb 0.54 -0.98 0.10 0.00 -0.26 0.00 0.00 64.21 63.62 1gm1 n SER 36 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1gm1 n VAL 37 N 2.41 0.00 0.08 -3.33 0.24 -1.26 -5.06 118.33 111.42 1gm1 n VAL 37 Ca 0.24 -1.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.09 1gm1 n VAL 37 Cb 0.60 -0.97 -0.08 0.00 -1.47 0.00 0.00 33.84 31.91 1gm1 n VAL 37 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gm1 h ARG 38 N 0.00 -0.25 0.00 7.34 3.08 -1.94 -3.44 114.38 119.17 1gm1 h ARG 38 Ca -0.28 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1gm1 h ARG 38 Cb 1.04 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1gm1 h ARG 38 CO 0.30 0.14 -0.57 1.58 -1.07 0.00 0.00 179.97 180.36 1gm1 n HIS 39 N -5.00 0.00 0.00 3.04 -0.00 -1.26 -5.09 115.22 106.91 1gm1 n HIS 39 Ca -0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.09 1gm1 n HIS 39 Cb 0.26 0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.25 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1gm1 n GLY 40 N 2.48 -0.87 3.13 1.57 0.00 -1.26 -4.85 105.19 105.39 1gm1 n GLY 40 Ca 0.00 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 1gm1 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gm1 s GLY 41 N 0.00 0.16 -0.24 -0.02 0.00 -1.24 -4.84 107.32 101.14 1gm1 s GLY 41 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 44.72 44.07 1gm1 s GLY 41 CO 0.00 -0.71 0.12 -0.42 0.00 0.00 0.00 173.10 172.10 1gm1 s ILE 42 N -2.82 4.95 0.17 0.90 -1.09 -1.26 -1.42 121.20 120.62 1gm1 s ILE 42 Ca -0.03 0.04 0.09 0.00 -2.23 0.00 0.00 60.65 58.52 1gm1 s ILE 42 Cb 0.00 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.53 1gm1 s ILE 42 CO -0.06 0.34 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.50 1gm1 s TYR 43 N 1.25 1.88 -0.19 3.97 2.02 0.74 -1.22 117.35 125.81 1gm1 s TYR 43 Ca 0.06 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.02 1gm1 s TYR 43 Cb -0.14 -0.93 -0.01 0.00 -0.40 0.00 0.00 41.96 40.47 1gm1 s TYR 43 CO 0.05 0.35 1.23 0.08 -1.57 0.00 0.00 175.55 175.70 1gm1 s VAL 44 N -2.01 4.32 -0.17 0.71 1.01 -0.14 -0.50 120.40 123.63 1gm1 s VAL 44 Ca 0.16 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1gm1 s VAL 44 Cb -0.06 -4.07 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 1gm1 s VAL 44 CO 0.07 -0.19 0.15 2.29 0.00 0.00 0.00 175.10 177.42 1gm1 n LYS 45 N 6.67 0.69 -3.59 2.72 2.85 -0.11 -0.48 118.16 126.90 1gm1 n LYS 45 Ca 0.14 0.18 -0.11 0.00 -1.05 0.00 0.00 58.31 57.47 1gm1 n LYS 45 Cb 0.45 -1.62 -0.04 0.00 -0.65 0.00 0.00 35.03 33.18 1gm1 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1gm1 s ALA 46 N -2.54 -1.12 -0.13 0.58 0.00 -0.84 -4.81 121.76 112.89 1gm1 s ALA 46 Ca -0.22 0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1gm1 s ALA 46 Cb 0.08 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.99 1gm1 s ALA 46 CO 0.73 -0.71 -0.22 -1.50 0.00 0.00 0.00 175.76 174.06 1gm1 s ILE 47 N -3.80 2.04 -0.09 0.00 1.10 -1.26 -1.65 121.20 117.54 1gm1 s ILE 47 Ca 0.04 -0.98 -0.30 0.00 -0.51 0.00 0.00 60.65 58.90 1gm1 s ILE 47 Cb 0.00 -1.80 -0.02 0.00 0.15 0.00 0.00 42.46 40.79 1gm1 s ILE 47 CO -0.10 0.55 1.12 -0.63 -2.11 0.00 0.00 174.94 173.76 1gm1 s ILE 48 N 0.74 4.48 0.24 2.00 -1.09 -0.08 -4.99 121.20 122.50 1gm1 s ILE 48 Ca -0.09 1.78 -0.31 0.00 -2.23 0.00 0.00 60.65 59.80 1gm1 s ILE 48 Cb -0.16 -4.14 -0.13 0.00 -1.58 0.00 0.00 42.46 36.45 1gm1 s ILE 48 CO -0.00 -0.01 1.51 -2.65 -1.23 0.00 0.00 174.94 172.55 1gm1 n PRO 49 N 5.21 2.29 -0.82 2.79 -0.02 -1.26 -2.25 135.00 140.94 1gm1 n PRO 49 Ca 0.10 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1gm1 n PRO 49 Cb 0.47 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 2.39 0.00 -2.01 -0.52 5.02 -1.26 -5.06 118.16 116.71 1gm1 n LYS 50 Ca 0.12 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 1gm1 n LYS 50 Cb 0.33 -2.09 0.01 0.00 -0.02 0.00 0.00 35.03 33.26 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 -1.84 1.99 0.17 0.72 0.00 -0.96 -4.88 107.32 102.52 1gm1 s GLY 51 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.76 1gm1 s GLY 51 CO 0.00 0.55 1.62 0.00 0.00 0.00 0.00 173.10 175.27 1gm1 h ALA 52 N 0.26 -0.05 -0.32 3.20 0.00 -1.02 -0.00 119.26 121.33 1gm1 h ALA 52 Ca -0.46 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1gm1 h ALA 52 Cb 1.21 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1gm1 h ALA 52 CO 0.58 -0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.28 1gm1 h ALA 53 N 0.93 0.41 -0.07 0.00 0.00 -0.22 -2.49 119.26 117.83 1gm1 h ALA 53 Ca 0.18 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gm1 h ALA 53 Cb 0.49 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1gm1 h ALA 53 CO -0.50 0.06 -0.46 1.49 0.00 0.00 0.00 179.25 179.84 1gm1 h GLU 54 N 0.35 -0.54 0.00 0.00 4.22 -1.61 -3.13 114.58 113.87 1gm1 h GLU 54 Ca 0.10 0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.53 1gm1 h GLU 54 Cb 0.26 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1gm1 h GLU 54 CO -0.00 -0.36 -0.22 1.03 -2.18 0.00 0.00 179.01 177.28 1gm1 h SER 55 N -0.56 0.00 0.00 1.04 0.87 -0.95 -3.20 113.55 110.75 1gm1 h SER 55 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1gm1 h SER 55 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1gm1 h SER 55 CO -0.38 0.22 0.00 -0.67 -0.53 0.00 0.00 176.83 175.47 1gm1 n ASP 56 N -3.61 0.00 0.00 6.23 -0.08 -0.94 -4.99 116.55 113.16 1gm1 n ASP 56 Ca -0.01 0.86 0.00 0.00 -1.51 0.00 0.00 54.79 54.13 1gm1 n ASP 56 Cb 0.35 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1gm1 n ASP 56 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1gm1 n GLY 57 N -0.67 0.56 0.27 0.27 0.00 -1.21 -4.94 105.19 99.47 1gm1 n GLY 57 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 2.88 0.62 -6.25 1.61 3.08 -1.91 -3.42 114.38 110.98 1gm1 h ARG 58 Ca 0.00 -0.17 -0.55 0.00 0.07 0.00 0.00 59.98 59.33 1gm1 h ARG 58 Cb 0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1gm1 h ARG 58 CO 0.00 0.68 0.13 0.42 -1.07 0.00 0.00 179.97 180.14 1gm1 s ILE 59 N -4.86 4.78 0.08 2.04 1.01 -1.26 -5.00 121.20 117.98 1gm1 s ILE 59 Ca -0.08 1.57 -0.00 0.00 0.00 0.00 0.00 60.65 62.13 1gm1 s ILE 59 Cb 0.15 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1gm1 s ILE 59 CO 0.79 0.36 -0.02 -2.28 0.00 0.00 0.00 174.94 173.79 1gm1 s HIS 60 N 0.00 0.68 0.03 3.97 2.46 -1.26 -4.92 115.29 116.24 1gm1 s HIS 60 Ca 0.38 -1.08 -0.34 0.00 0.47 0.00 0.00 55.06 54.48 1gm1 s HIS 60 Cb -0.20 -0.44 -0.13 0.00 -0.13 0.00 0.00 32.58 31.68 1gm1 s HIS 60 CO 0.22 -0.37 1.72 1.17 -2.47 0.00 0.00 174.74 175.01 1gm1 n LYS 61 N 0.03 2.09 -0.20 2.88 4.81 -1.26 -2.14 118.16 124.37 1gm1 n LYS 61 Ca -0.12 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1gm1 n LYS 61 Cb 0.62 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1gm1 n LYS 61 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gm1 n GLY 62 N 3.87 0.66 3.88 3.14 0.00 0.37 -4.99 105.19 112.11 1gm1 n GLY 62 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.89 6.21 -0.12 1.61 1.01 -0.91 -4.55 116.67 117.03 1gm1 s ASP 63 Ca 0.00 1.27 -0.00 0.00 0.71 0.00 0.00 52.55 54.52 1gm1 s ASP 63 Cb 0.00 -2.38 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 1gm1 s ASP 63 CO 0.00 -0.80 -0.10 -0.60 0.21 0.00 0.00 175.17 173.88 1gm1 s ARG 64 N -5.06 3.27 -0.11 8.23 3.52 0.01 -0.96 118.95 127.85 1gm1 s ARG 64 Ca 0.53 -0.63 -0.23 0.00 -0.13 0.00 0.00 55.73 55.27 1gm1 s ARG 64 Cb -0.11 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.59 1gm1 s ARG 64 CO 0.51 0.33 0.69 0.08 -0.81 0.00 0.00 175.30 176.10 1gm1 s VAL 65 N 0.07 5.03 -0.26 7.11 1.01 -0.35 -0.56 120.40 132.44 1gm1 s VAL 65 Ca -0.04 1.39 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 1gm1 s VAL 65 Cb -0.14 -4.02 -0.14 0.00 0.00 0.00 0.00 36.38 32.07 1gm1 s VAL 65 CO 0.04 0.19 -0.23 0.18 0.00 0.00 0.00 175.10 175.28 1gm1 n LEU 66 N 4.25 2.13 -3.73 3.92 4.77 -0.83 -4.53 117.00 122.98 1gm1 n LEU 66 Ca -0.01 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1gm1 n LEU 66 Cb 0.51 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 1gm1 n LEU 66 CO 0.46 0.60 -0.01 0.00 -1.33 0.00 0.00 177.39 177.12 1gm1 s ALA 67 N -2.49 -0.84 -0.16 -1.18 0.00 -0.70 -1.11 121.76 115.27 1gm1 s ALA 67 Ca -0.36 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1gm1 s ALA 67 Cb 0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 1gm1 s ALA 67 CO 0.53 -0.20 -0.11 0.08 0.00 0.00 0.00 175.76 176.06 1gm1 s VAL 68 N 0.81 3.01 -1.15 0.00 1.01 -0.42 -0.89 120.40 122.77 1gm1 s VAL 68 Ca -0.05 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1gm1 s VAL 68 Cb -0.06 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1gm1 s VAL 68 CO -0.06 0.50 0.00 -3.20 0.00 0.00 0.00 175.10 172.34 1gm1 n ASN 69 N 4.03 -4.17 0.00 3.32 2.85 0.70 -1.49 115.26 120.50 1gm1 n ASN 69 Ca -0.18 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1gm1 n ASN 69 Cb 0.52 -3.34 0.00 0.00 1.24 0.00 0.00 39.78 38.20 1gm1 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gm1 n GLY 70 N -1.02 3.02 3.65 8.20 0.00 -1.15 -4.93 105.19 112.97 1gm1 n GLY 70 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1gm1 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gm1 s VAL 71 N -1.66 5.07 0.27 1.61 1.01 -0.56 -5.00 120.40 121.14 1gm1 s VAL 71 Ca 0.00 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 1gm1 s VAL 71 Cb 0.00 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 1gm1 s VAL 71 CO 0.00 0.14 1.48 -0.44 0.00 0.00 0.00 175.10 176.28 1gm1 s SER 72 N 1.23 6.57 -1.03 3.32 0.01 -1.26 -1.31 113.70 121.22 1gm1 s SER 72 Ca 0.25 2.76 -0.06 0.00 1.31 0.00 0.00 55.95 60.21 1gm1 s SER 72 Cb -0.16 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.44 1gm1 s SER 72 CO 0.10 -0.76 2.80 0.18 0.41 0.00 0.00 173.24 175.96 1gm1 n LEU 73 N 2.22 7.52 -4.68 2.44 4.77 -0.27 -4.92 117.00 124.08 1gm1 n LEU 73 Ca 0.07 -4.34 -0.43 0.00 -0.03 0.00 0.00 56.01 51.28 1gm1 n LEU 73 Cb 0.39 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 1gm1 n LEU 73 CO 0.61 1.95 0.89 -1.83 -1.33 0.00 0.00 177.39 177.68 1gm1 s GLU 74 N -0.09 4.34 -2.04 3.23 -1.05 -1.26 -3.51 118.70 118.32 1gm1 s GLU 74 Ca 0.61 1.45 0.00 0.00 -0.15 0.00 0.00 54.97 56.88 1gm1 s GLU 74 Cb 0.24 -3.60 0.00 0.00 -0.44 0.00 0.00 34.13 30.34 1gm1 s GLU 74 CO -0.10 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.05 1gm1 n GLY 75 N 3.26 1.65 3.77 -3.83 0.00 -1.26 -4.89 105.19 103.89 1gm1 n GLY 75 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.68 3.11 1.05 4.61 0.00 -1.23 -4.70 121.76 121.93 1gm1 s ALA 76 Ca 0.00 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 1gm1 s ALA 76 Cb 0.00 -3.37 0.24 0.00 0.00 0.00 0.00 23.12 19.98 1gm1 s ALA 76 CO 0.00 -0.53 1.26 0.95 0.00 0.00 0.00 175.76 177.43 1gm1 s THR 77 N -1.46 1.86 0.01 0.00 -4.23 -1.26 -1.19 115.64 109.37 1gm1 s THR 77 Ca 0.58 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.86 1gm1 s THR 77 Cb -0.30 -2.83 -0.17 0.00 1.34 0.00 0.00 72.50 70.54 1gm1 s THR 77 CO 0.37 0.00 1.36 -0.74 -0.54 0.00 0.00 174.62 175.07 1gm1 h HIS 78 N -2.00 0.13 -0.30 3.99 2.76 -1.93 -3.19 115.15 114.62 1gm1 h HIS 78 Ca -0.44 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 57.74 1gm1 h HIS 78 Cb 1.25 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 30.16 1gm1 h HIS 78 CO -1.60 0.49 0.20 0.87 -1.30 0.00 0.00 177.93 176.59 1gm1 h LYS 79 N -0.26 0.21 0.30 5.26 1.79 -1.95 -2.76 116.57 119.15 1gm1 h LYS 79 Ca 0.01 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1gm1 h LYS 79 Cb 0.46 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1gm1 h LYS 79 CO 0.01 0.14 -0.31 1.96 -1.08 0.00 0.00 179.45 180.16 1gm1 h GLN 80 N 0.21 -0.62 -0.55 3.15 1.08 -1.93 0.57 115.11 117.03 1gm1 h GLN 80 Ca 0.13 0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 1gm1 h GLN 80 Cb 0.25 0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1gm1 h GLN 80 CO -0.02 -0.41 0.09 0.00 -0.95 0.00 0.00 178.83 177.54 1gm1 h ALA 81 N -0.09 1.13 -0.08 3.87 0.00 -1.59 -1.45 119.26 121.05 1gm1 h ALA 81 Ca -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1gm1 h ALA 81 Cb 0.59 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gm1 h ALA 81 CO -0.07 0.58 -0.04 0.28 0.00 0.00 0.00 179.25 180.00 1gm1 h VAL 82 N 0.83 1.32 -0.56 0.00 2.07 -1.34 0.12 116.25 118.69 1gm1 h VAL 82 Ca 0.17 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1gm1 h VAL 82 Cb 0.36 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1gm1 h VAL 82 CO 0.01 0.29 0.19 -0.33 0.02 0.00 0.00 177.57 177.75 1gm1 h GLU 83 N -0.21 0.83 -0.23 1.57 5.08 -0.84 -0.22 114.58 120.57 1gm1 h GLU 83 Ca 0.02 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1gm1 h GLU 83 Cb 0.48 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1gm1 h GLU 83 CO 0.01 0.70 -0.05 1.15 -1.00 0.00 0.00 179.01 179.83 1gm1 h THR 84 N 0.81 1.28 -0.29 1.13 2.02 -1.16 -2.26 112.91 114.44 1gm1 h THR 84 Ca 0.19 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 1gm1 h THR 84 Cb 0.21 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1gm1 h THR 84 CO -0.01 0.32 -0.17 -0.07 0.37 0.00 0.00 175.52 175.96 1gm1 h LEU 85 N 0.17 0.51 -0.66 2.58 3.38 -0.54 -3.13 115.31 117.61 1gm1 h LEU 85 Ca 0.06 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1gm1 h LEU 85 Cb 0.50 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1gm1 h LEU 85 CO 0.02 0.69 -0.63 0.08 0.09 0.00 0.00 178.44 178.69 1gm1 h ARG 86 N 0.47 0.14 -1.95 1.13 -0.00 -1.00 -3.14 114.38 110.03 1gm1 h ARG 86 Ca 0.08 -0.10 -0.43 0.00 -0.00 0.00 0.00 59.98 59.53 1gm1 h ARG 86 Cb 0.56 0.02 -0.15 0.00 -0.00 0.00 0.00 29.97 30.40 1gm1 h ARG 86 CO 0.04 0.73 0.26 -1.71 -0.00 0.00 0.00 179.97 179.28 1gm1 n ASN 87 N -3.82 6.25 -4.76 0.08 5.15 -0.86 -4.89 115.26 112.42 1gm1 n ASN 87 Ca -0.02 -3.06 -0.27 0.00 -0.60 0.00 0.00 54.58 50.63 1gm1 n ASN 87 Cb 0.63 -1.25 -0.06 0.00 -0.53 0.00 0.00 39.78 38.58 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 -1.69 4.27 0.00 -0.44 -4.23 -1.19 -4.97 115.64 107.39 1gm1 s THR 88 Ca 0.57 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1gm1 s THR 88 Cb 0.36 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1gm1 s THR 88 CO -0.16 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1gm1 n GLY 89 N -0.20 1.74 0.03 3.99 0.00 -1.26 -5.07 105.19 104.42 1gm1 n GLY 89 Ca -0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.07 -5.44 1.61 -0.00 -1.95 -3.41 115.11 105.85 1gm1 h GLN 90 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.05 1gm1 h GLN 90 Cb 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 27.48 27.39 1gm1 h GLN 90 CO 0.00 -0.05 -0.42 0.54 0.00 0.00 0.00 178.83 178.91 1gm1 s VAL 91 N -2.11 5.37 -0.22 2.39 0.11 -1.26 -0.69 120.40 123.99 1gm1 s VAL 91 Ca -0.01 0.35 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 1gm1 s VAL 91 Cb 0.00 -3.53 0.05 0.00 -1.53 0.00 0.00 36.38 31.38 1gm1 s VAL 91 CO 0.03 0.45 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.49 1gm1 s VAL 92 N 0.13 1.56 -0.59 2.04 1.01 0.12 -4.99 120.40 119.68 1gm1 s VAL 92 Ca 0.13 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1gm1 s VAL 92 Cb -0.12 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.60 1gm1 s VAL 92 CO 0.02 0.01 0.75 -1.00 0.00 0.00 0.00 175.10 174.87 1gm1 s HIS 93 N 1.40 2.94 0.12 5.22 3.76 -1.26 -1.82 115.29 125.65 1gm1 s HIS 93 Ca -0.04 -0.78 -0.11 0.00 -0.15 0.00 0.00 55.06 53.98 1gm1 s HIS 93 Cb -0.18 -3.99 -0.06 0.00 1.11 0.00 0.00 32.58 29.46 1gm1 s HIS 93 CO -0.07 -1.32 0.46 -0.51 -0.85 0.00 0.00 174.74 172.45 1gm1 s LEU 94 N 2.98 4.31 -0.15 0.89 2.01 0.67 -0.22 118.68 129.17 1gm1 s LEU 94 Ca 0.15 0.87 -0.01 0.00 0.01 0.00 0.00 54.13 55.15 1gm1 s LEU 94 Cb -0.22 -3.19 -0.01 0.00 0.01 0.00 0.00 46.19 42.78 1gm1 s LEU 94 CO 0.08 0.11 -0.12 -0.22 1.01 0.00 0.00 176.35 177.22 1gm1 s LEU 95 N -2.12 2.73 0.05 1.79 2.96 -0.07 -1.32 118.68 122.71 1gm1 s LEU 95 Ca 0.37 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1gm1 s LEU 95 Cb -0.14 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 1gm1 s LEU 95 CO 0.19 0.12 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.05 1gm1 s LEU 96 N 0.61 2.30 -0.10 -0.68 0.20 -0.69 -1.72 118.68 118.60 1gm1 s LEU 96 Ca -0.07 -0.62 0.03 0.00 0.69 0.00 0.00 54.13 54.16 1gm1 s LEU 96 Cb -0.15 -0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.47 1gm1 s LEU 96 CO 0.03 -0.25 -0.19 -0.70 -0.29 0.00 0.00 176.35 174.94 1gm1 s GLU 97 N -1.96 3.05 0.01 1.98 2.12 0.27 -1.22 118.70 122.96 1gm1 s GLU 97 Ca -0.07 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.16 1gm1 s GLU 97 Cb -0.07 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 1gm1 s GLU 97 CO -0.01 0.26 1.15 0.21 -0.54 0.00 0.00 175.26 176.33 1gm1 s LYS 98 N 0.18 4.44 0.00 4.30 2.47 0.57 -0.81 119.74 130.89 1gm1 s LYS 98 Ca -0.11 1.66 0.00 0.00 -1.56 0.00 0.00 55.97 55.96 1gm1 s LYS 98 Cb -0.16 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.78 1gm1 s LYS 98 CO 0.06 -0.27 0.00 0.41 0.16 0.00 0.00 175.35 175.71 1gm1 n GLY 99 N 3.19 0.44 3.72 5.54 0.00 -1.26 -2.41 105.19 114.41 1gm1 n GLY 99 Ca 0.09 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 1gm1 n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gm1 s GLN 100 N 1.02 -0.44 -0.16 1.61 -2.07 -1.26 -4.55 119.66 113.82 1gm1 s GLN 100 Ca 0.00 -0.17 -0.10 0.00 -1.82 0.00 0.00 55.36 53.27 1gm1 s GLN 100 Cb 0.00 -1.70 -0.05 0.00 -1.09 0.00 0.00 33.01 30.18 1gm1 s GLN 100 CO 0.00 -3.17 0.18 0.08 -1.32 0.00 0.00 175.29 171.06 1gm1 s VAL 101 N -3.33 5.40 -2.00 3.63 1.01 -1.26 -5.02 120.40 118.83 1gm1 s VAL 101 Ca 0.72 0.30 0.22 0.00 0.00 0.00 0.00 61.98 63.22 1gm1 s VAL 101 Cb -0.08 -3.49 0.62 0.00 0.00 0.00 0.00 36.38 33.43 1gm1 s VAL 101 CO 0.55 0.49 1.68 -0.81 0.00 0.00 0.00 175.10 177.01