#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 -2.07 0.00 1.97 -0.05 -1.26 -4.98 135.00 128.61 1gm1 n PRO 10 Ca 0.00 -1.67 0.00 0.00 -0.05 0.00 0.00 63.50 61.78 1gm1 n PRO 10 Cb 0.00 -1.33 0.00 0.00 -0.05 0.00 0.00 33.50 32.12 1gm1 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1gm1 n GLY 11 N -3.32 2.14 0.46 0.55 0.00 -1.26 -5.08 105.19 98.68 1gm1 n GLY 11 Ca 0.14 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1gm1 n GLY 11 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gm1 h ASP 12 N 0.00 -1.40 -3.13 1.61 3.58 -1.95 -3.37 116.42 111.76 1gm1 h ASP 12 Ca 0.00 0.13 -0.63 0.00 0.42 0.00 0.00 57.03 56.95 1gm1 h ASP 12 Cb 0.00 0.49 -0.09 0.00 1.72 0.00 0.00 39.33 41.45 1gm1 h ASP 12 CO 0.00 -0.58 -0.60 0.42 -2.88 0.00 0.00 179.24 175.60 1gm1 s THR 13 N -5.63 4.51 0.15 2.25 -4.23 -1.26 -0.41 115.64 111.03 1gm1 s THR 13 Ca -0.16 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.44 1gm1 s THR 13 Cb 0.05 -3.19 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 1gm1 s THR 13 CO 0.56 0.10 0.28 0.72 -0.54 0.00 0.00 174.62 175.74 1gm1 s PHE 14 N -1.43 0.35 0.02 3.99 -0.12 -0.84 -4.94 117.98 115.00 1gm1 s PHE 14 Ca 0.29 -0.72 0.06 0.00 -0.05 0.00 0.00 56.93 56.52 1gm1 s PHE 14 Cb -0.12 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.21 1gm1 s PHE 14 CO 0.22 -0.70 -0.18 -1.21 -0.05 0.00 0.00 175.22 173.30 1gm1 s GLU 15 N -3.95 1.34 -0.18 1.99 2.02 -1.26 -1.67 118.70 116.99 1gm1 s GLU 15 Ca 0.15 -0.79 -0.02 0.00 0.02 0.00 0.00 54.97 54.33 1gm1 s GLU 15 Cb 0.03 -1.37 0.05 0.00 0.10 0.00 0.00 34.13 32.95 1gm1 s GLU 15 CO -0.02 0.36 0.02 0.08 0.02 0.00 0.00 175.26 175.72 1gm1 s VAL 16 N -0.65 0.61 -0.67 2.63 1.01 0.57 -5.01 120.40 118.90 1gm1 s VAL 16 Ca 0.06 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1gm1 s VAL 16 Cb -0.08 -1.03 0.17 0.00 0.00 0.00 0.00 36.38 35.45 1gm1 s VAL 16 CO 0.01 -0.11 0.58 -1.61 0.00 0.00 0.00 175.10 173.97 1gm1 s GLU 17 N 1.83 3.11 -0.05 2.72 2.02 -1.26 -0.79 118.70 126.27 1gm1 s GLU 17 Ca -0.00 -2.18 0.05 0.00 0.02 0.00 0.00 54.97 52.85 1gm1 s GLU 17 Cb -0.16 -4.21 -0.00 0.00 0.10 0.00 0.00 34.13 29.86 1gm1 s GLU 17 CO -0.07 -1.27 -0.20 -1.17 0.02 0.00 0.00 175.26 172.57 1gm1 s LEU 18 N 0.67 1.96 -0.14 1.80 2.96 0.36 -4.94 118.68 121.34 1gm1 s LEU 18 Ca 0.12 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1gm1 s LEU 18 Cb -0.19 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 1gm1 s LEU 18 CO -0.04 0.17 0.13 0.00 -1.32 0.00 0.00 176.35 175.29 1gm1 s ALA 19 N 0.06 3.78 0.84 5.97 0.00 -1.26 0.57 121.76 131.71 1gm1 s ALA 19 Ca -0.06 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 1gm1 s ALA 19 Cb -0.13 -1.98 0.09 0.00 0.00 0.00 0.00 23.12 21.10 1gm1 s ALA 19 CO 0.03 0.50 1.09 -1.59 0.00 0.00 0.00 175.76 175.80 1gm1 s LYS 20 N -0.65 1.74 -0.16 0.00 -2.85 -0.87 -4.79 119.74 112.16 1gm1 s LYS 20 Ca 0.13 1.05 -0.01 0.00 -1.00 0.00 0.00 55.97 56.14 1gm1 s LYS 20 Cb -0.12 -1.85 0.04 0.00 -2.06 0.00 0.00 37.83 33.85 1gm1 s LYS 20 CO 0.02 -1.97 -0.03 0.95 0.10 0.00 0.00 175.35 174.43 1gm1 s THR 21 N -2.89 0.90 -1.14 3.79 -4.23 -0.42 -4.86 115.64 106.78 1gm1 s THR 21 Ca 0.62 -0.51 -0.19 0.00 -1.18 0.00 0.00 61.69 60.43 1gm1 s THR 21 Cb -0.18 -1.14 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 1gm1 s THR 21 CO 0.57 0.08 0.79 -0.67 -0.54 0.00 0.00 174.62 174.85 1gm1 n ASP 22 N 4.94 -5.21 0.00 3.99 2.03 -1.26 -2.52 116.55 118.52 1gm1 n ASP 22 Ca -0.11 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1gm1 n ASP 22 Cb 0.48 -3.52 0.00 0.00 -0.72 0.00 0.00 41.12 37.36 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 1.86 3.75 0.27 0.00 -1.26 -4.96 105.19 103.19 1gm1 n GLY 23 Ca -0.10 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 0.07 5.39 -0.19 1.61 0.01 -1.05 -5.02 113.70 114.52 1gm1 s SER 24 Ca 0.00 -0.04 -0.15 0.00 1.31 0.00 0.00 55.95 57.07 1gm1 s SER 24 Cb 0.00 -1.41 -0.08 0.00 0.21 0.00 0.00 66.02 64.74 1gm1 s SER 24 CO 0.00 0.19 -0.24 0.18 0.41 0.00 0.00 173.24 173.77 1gm1 n LEU 25 N 0.60 1.90 0.00 2.44 7.99 -1.26 -1.31 117.00 127.36 1gm1 n LEU 25 Ca -0.10 0.43 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 1gm1 n LEU 25 Cb 0.52 -0.82 0.00 0.00 -0.11 0.00 0.00 43.42 43.01 1gm1 n LEU 25 CO 0.42 -0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.79 1gm1 n GLY 26 N 1.46 1.54 3.29 -0.72 0.00 -1.26 -0.05 105.19 109.46 1gm1 n GLY 26 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.54 2.85 -0.15 -0.61 -4.36 -1.26 -1.44 121.20 114.69 1gm1 s ILE 27 Ca 0.00 -0.71 -0.02 0.00 -0.26 0.00 0.00 60.65 59.67 1gm1 s ILE 27 Cb 0.00 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 1gm1 s ILE 27 CO 0.00 0.50 -0.09 -0.55 0.24 0.00 0.00 174.94 175.04 1gm1 s SER 28 N 0.82 4.27 0.31 4.36 0.15 -0.53 -4.99 113.70 118.10 1gm1 s SER 28 Ca -0.04 -0.28 0.08 0.00 0.70 0.00 0.00 55.95 56.40 1gm1 s SER 28 Cb -0.15 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1gm1 s SER 28 CO 0.00 0.14 0.16 0.68 1.20 0.00 0.00 173.24 175.43 1gm1 s VAL 29 N 0.52 3.42 0.19 4.45 -7.23 -1.26 -0.61 120.40 119.88 1gm1 s VAL 29 Ca -0.07 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1gm1 s VAL 29 Cb -0.15 -3.07 -0.05 0.00 0.56 0.00 0.00 36.38 33.67 1gm1 s VAL 29 CO 0.03 -0.23 -0.00 0.28 -0.31 0.00 0.00 175.10 174.87 1gm1 s THR 30 N -2.34 0.81 0.00 5.32 -1.32 0.62 -4.67 115.64 114.06 1gm1 s THR 30 Ca 0.37 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 1gm1 s THR 30 Cb -0.05 -2.20 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 1gm1 s THR 30 CO 0.23 -0.42 0.00 0.61 -2.21 0.00 0.00 174.62 172.83 1gm1 n GLY 31 N -0.30 -0.95 0.00 6.08 0.00 -1.26 -1.02 105.19 107.74 1gm1 n GLY 31 Ca -0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1gm1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 32 N 0.00 2.15 0.33 -0.02 0.00 -0.14 -4.11 105.19 103.40 1gm1 n GLY 32 Ca 0.00 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.42 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 1.04 0.00 1.61 2.07 -1.79 -2.83 116.25 116.34 1gm1 h VAL 33 Ca 0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1gm1 h VAL 33 Cb 0.00 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1gm1 h VAL 33 CO 0.00 0.10 0.00 -1.13 0.02 0.00 0.00 177.57 176.56 1gm1 h ASN 34 N 0.53 0.00 -2.70 0.57 -1.24 -1.90 -3.44 115.58 107.40 1gm1 h ASN 34 Ca 0.20 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.75 1gm1 h ASN 34 Cb 0.15 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.21 1gm1 h ASN 34 CO -0.05 0.00 -0.16 0.28 -1.29 0.00 0.00 177.43 176.21 1gm1 s THR 35 N -3.41 4.56 -0.07 -3.57 -1.32 -1.07 -4.97 115.64 105.78 1gm1 s THR 35 Ca 0.04 -0.52 -0.04 0.00 -1.21 0.00 0.00 61.69 59.97 1gm1 s THR 35 Cb 0.07 -3.66 -0.13 0.00 -1.51 0.00 0.00 72.50 67.26 1gm1 s THR 35 CO 0.61 -0.43 3.01 -1.54 -2.21 0.00 0.00 174.62 174.06 1gm1 n SER 36 N -1.90 5.49 -4.76 8.08 3.41 -1.26 -4.85 113.62 117.82 1gm1 n SER 36 Ca -0.02 -2.58 -0.38 0.00 -0.26 0.00 0.00 58.87 55.63 1gm1 n SER 36 Cb 0.57 -1.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.16 1gm1 n SER 36 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1gm1 s VAL 37 N 0.15 5.10 0.24 -3.33 -7.23 -1.26 -4.95 120.40 109.12 1gm1 s VAL 37 Ca 0.47 0.94 0.11 0.00 -1.81 0.00 0.00 61.98 61.68 1gm1 s VAL 37 Cb 0.24 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.36 1gm1 s VAL 37 CO -0.03 0.42 1.59 -0.09 -0.31 0.00 0.00 175.10 176.68 1gm1 h ARG 38 N 5.94 0.00 -0.97 4.82 1.12 -1.97 -3.34 114.38 119.98 1gm1 h ARG 38 Ca -0.45 0.00 0.31 0.00 -1.11 0.00 0.00 59.98 58.73 1gm1 h ARG 38 Cb 1.19 0.00 -0.16 0.00 -0.01 0.00 0.00 29.97 31.00 1gm1 h ARG 38 CO 0.70 0.63 0.41 0.45 -3.11 0.00 0.00 179.97 179.06 1gm1 h HIS 39 N 0.00 0.64 -5.23 2.20 3.86 -1.98 -3.47 115.15 111.17 1gm1 h HIS 39 Ca -0.01 0.05 -0.20 0.00 -1.16 0.00 0.00 60.37 59.05 1gm1 h HIS 39 Cb 1.15 -0.12 0.16 0.00 1.06 0.00 0.00 27.41 29.66 1gm1 h HIS 39 CO 0.00 -0.28 -0.69 0.41 0.86 0.00 0.00 177.93 178.23 1gm1 n GLY 40 N -1.33 -1.01 0.00 2.45 0.00 -1.26 -4.98 105.19 99.06 1gm1 n GLY 40 Ca 0.29 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1gm1 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 41 N -1.31 -0.74 3.51 -0.02 0.00 -1.26 -4.98 105.19 100.39 1gm1 n GLY 41 Ca -0.06 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 1gm1 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gm1 s ILE 42 N -2.00 4.77 0.12 -0.61 -1.09 -1.26 -0.97 121.20 120.17 1gm1 s ILE 42 Ca 0.00 -0.01 0.07 0.00 -2.23 0.00 0.00 60.65 58.47 1gm1 s ILE 42 Cb 0.00 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 1gm1 s ILE 42 CO 0.00 0.30 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.54 1gm1 s TYR 43 N 1.66 1.52 -0.13 3.97 2.02 -0.19 -1.13 117.35 125.08 1gm1 s TYR 43 Ca 0.07 -0.51 -0.29 0.00 -0.37 0.00 0.00 57.07 55.96 1gm1 s TYR 43 Cb -0.15 -0.80 -0.02 0.00 -0.40 0.00 0.00 41.96 40.59 1gm1 s TYR 43 CO 0.07 0.19 1.21 0.08 -1.57 0.00 0.00 175.55 175.52 1gm1 s VAL 44 N -1.92 4.33 -0.25 0.71 1.01 -0.20 -0.27 120.40 123.82 1gm1 s VAL 44 Ca 0.09 1.63 -0.09 0.00 0.00 0.00 0.00 61.98 63.61 1gm1 s VAL 44 Cb -0.06 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 1gm1 s VAL 44 CO 0.04 -0.09 -0.18 1.17 0.00 0.00 0.00 175.10 176.04 1gm1 n LYS 45 N 6.05 0.62 -3.51 2.72 0.00 0.22 -0.81 118.16 123.44 1gm1 n LYS 45 Ca 0.13 0.27 -0.15 0.00 0.00 0.00 0.00 58.31 58.55 1gm1 n LYS 45 Cb 0.46 -1.55 -0.05 0.00 0.00 0.00 0.00 35.03 33.89 1gm1 n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gm1 s ALA 46 N -2.50 -1.54 -0.17 3.14 0.00 -0.91 -4.83 121.76 114.94 1gm1 s ALA 46 Ca -0.35 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 1gm1 s ALA 46 Cb 0.11 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 1gm1 s ALA 46 CO 0.56 -0.54 -0.06 -1.50 0.00 0.00 0.00 175.76 174.22 1gm1 s ILE 47 N -2.43 3.50 -0.22 0.00 1.10 -1.26 -1.45 121.20 120.44 1gm1 s ILE 47 Ca -0.05 -0.48 -0.29 0.00 -0.51 0.00 0.00 60.65 59.32 1gm1 s ILE 47 Cb -0.01 -2.54 -0.00 0.00 0.15 0.00 0.00 42.46 40.06 1gm1 s ILE 47 CO -0.01 0.47 1.19 -0.63 -2.11 0.00 0.00 174.94 173.85 1gm1 s ILE 48 N 0.79 4.39 0.10 2.00 -1.09 -0.52 -4.98 121.20 121.88 1gm1 s ILE 48 Ca -0.02 1.65 -0.31 0.00 -2.23 0.00 0.00 60.65 59.74 1gm1 s ILE 48 Cb -0.15 -4.15 -0.10 0.00 -1.58 0.00 0.00 42.46 36.48 1gm1 s ILE 48 CO 0.02 -0.24 1.88 -2.84 -1.23 0.00 0.00 174.94 172.52 1gm1 s PRO 49 N 3.55 4.13 -0.38 2.79 0.02 -1.26 -1.94 135.00 141.92 1gm1 s PRO 49 Ca 0.51 2.61 -0.00 0.00 0.02 0.00 0.00 61.00 64.14 1gm1 s PRO 49 Cb -0.18 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.59 1gm1 s PRO 49 CO 0.14 -0.88 0.05 1.63 -0.33 0.00 0.00 177.00 177.60 1gm1 n LYS 50 N 6.20 -0.62 -2.35 5.54 5.02 -1.26 -5.08 118.16 125.61 1gm1 n LYS 50 Ca 0.18 0.22 -0.28 0.00 -2.02 0.00 0.00 58.31 56.41 1gm1 n LYS 50 Cb 0.39 -3.85 0.02 0.00 -0.02 0.00 0.00 35.03 31.56 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 -2.84 1.58 0.14 0.72 0.00 -0.82 -5.02 107.32 101.08 1gm1 s GLY 51 Ca 0.02 -0.51 -0.27 0.00 0.00 0.00 0.00 44.72 43.96 1gm1 s GLY 51 CO 0.03 -0.26 1.59 0.00 0.00 0.00 0.00 173.10 174.46 1gm1 h ALA 52 N -0.10 -0.48 -0.09 3.20 0.00 -1.03 -3.04 119.26 117.73 1gm1 h ALA 52 Ca -0.46 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1gm1 h ALA 52 Cb 1.23 0.74 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1gm1 h ALA 52 CO 0.61 -0.86 0.03 0.00 0.00 0.00 0.00 179.25 179.03 1gm1 h ALA 53 N 0.29 0.12 -0.82 0.00 0.00 -0.79 -3.19 119.26 114.87 1gm1 h ALA 53 Ca 0.10 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1gm1 h ALA 53 Cb 0.59 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 1gm1 h ALA 53 CO -0.41 -0.26 -0.55 1.49 0.00 0.00 0.00 179.25 179.51 1gm1 h GLU 54 N -0.05 -0.11 0.00 0.00 4.22 -1.70 -2.67 114.58 114.27 1gm1 h GLU 54 Ca 0.03 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.39 1gm1 h GLU 54 Cb 0.23 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1gm1 h GLU 54 CO -0.00 -0.07 -0.41 1.03 -2.18 0.00 0.00 179.01 177.37 1gm1 h SER 55 N -0.12 0.00 0.45 1.04 0.87 -1.58 -3.34 113.55 110.87 1gm1 h SER 55 Ca 0.16 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1gm1 h SER 55 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1gm1 h SER 55 CO -0.84 0.41 -0.34 -0.78 -0.53 0.00 0.00 176.83 174.75 1gm1 h ASP 56 N 0.00 -0.89 0.00 6.23 3.58 -1.46 -3.47 116.42 120.41 1gm1 h ASP 56 Ca -0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1gm1 h ASP 56 Cb 0.81 0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1gm1 h ASP 56 CO 0.05 -0.51 0.00 0.61 -2.88 0.00 0.00 179.24 176.52 1gm1 n GLY 57 N -1.46 0.88 0.14 -0.78 0.00 -1.25 -4.98 105.19 97.73 1gm1 n GLY 57 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 1.68 -0.28 -6.43 1.61 3.08 -1.91 -3.46 114.38 108.67 1gm1 h ARG 58 Ca 0.00 0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.53 1gm1 h ARG 58 Cb 0.00 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.13 1gm1 h ARG 58 CO 0.00 -0.18 0.90 0.42 -1.07 0.00 0.00 179.97 180.03 1gm1 s ILE 59 N -2.48 3.34 0.06 2.04 1.01 -1.26 -5.02 121.20 118.89 1gm1 s ILE 59 Ca -0.04 0.79 -0.03 0.00 0.00 0.00 0.00 60.65 61.37 1gm1 s ILE 59 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1gm1 s ILE 59 CO 0.13 0.01 0.02 -2.28 0.00 0.00 0.00 174.94 172.82 1gm1 s HIS 60 N 2.35 0.42 0.05 3.97 2.46 -1.26 -4.91 115.29 118.37 1gm1 s HIS 60 Ca 0.69 -0.92 -0.35 0.00 0.47 0.00 0.00 55.06 54.94 1gm1 s HIS 60 Cb -0.36 -0.30 -0.14 0.00 -0.13 0.00 0.00 32.58 31.64 1gm1 s HIS 60 CO 0.29 -0.41 1.58 1.17 -2.47 0.00 0.00 174.74 174.91 1gm1 n LYS 61 N 0.14 1.77 -0.03 2.88 4.81 -1.26 -2.39 118.16 124.09 1gm1 n LYS 61 Ca -0.15 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1gm1 n LYS 61 Cb 0.61 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.28 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 3.42 0.36 3.88 3.14 0.00 0.01 -4.98 105.19 111.01 1gm1 n GLY 62 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.41 6.13 -0.15 1.61 1.01 -1.01 -4.45 116.67 117.40 1gm1 s ASP 63 Ca 0.00 1.33 -0.05 0.00 0.71 0.00 0.00 52.55 54.54 1gm1 s ASP 63 Cb 0.00 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 1gm1 s ASP 63 CO 0.00 -0.90 0.03 -0.60 0.21 0.00 0.00 175.17 173.91 1gm1 s ARG 64 N -5.16 3.66 -0.01 8.23 3.52 -0.34 -1.03 118.95 127.82 1gm1 s ARG 64 Ca 0.55 -0.38 -0.18 0.00 -0.13 0.00 0.00 55.73 55.59 1gm1 s ARG 64 Cb -0.11 -3.06 -0.05 0.00 -1.56 0.00 0.00 34.95 30.17 1gm1 s ARG 64 CO 0.53 0.40 0.51 0.08 -0.81 0.00 0.00 175.30 176.01 1gm1 s VAL 65 N -0.02 4.96 -0.16 7.11 1.01 -0.28 -0.86 120.40 132.17 1gm1 s VAL 65 Ca 0.05 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.93 1gm1 s VAL 65 Cb -0.12 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1gm1 s VAL 65 CO 0.01 0.47 -0.31 0.18 0.00 0.00 0.00 175.10 175.45 1gm1 n LEU 66 N 2.49 1.78 -3.69 3.92 4.32 -0.96 -4.68 117.00 120.19 1gm1 n LEU 66 Ca -0.09 0.30 -0.11 0.00 -0.02 0.00 0.00 56.01 56.09 1gm1 n LEU 66 Cb 0.51 -0.71 -0.11 0.00 -1.62 0.00 0.00 43.42 41.49 1gm1 n LEU 66 CO 0.41 -0.30 -0.02 0.00 -1.22 0.00 0.00 177.39 176.26 1gm1 s ALA 67 N -2.88 -0.88 -0.35 -1.18 0.00 -0.57 -0.72 121.76 115.17 1gm1 s ALA 67 Ca -0.26 1.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.87 1gm1 s ALA 67 Cb 0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1gm1 s ALA 67 CO 0.39 -0.43 0.29 0.08 0.00 0.00 0.00 175.76 176.09 1gm1 s VAL 68 N 1.83 5.24 -1.55 0.00 1.01 -0.28 -1.54 120.40 125.11 1gm1 s VAL 68 Ca -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 1gm1 s VAL 68 Cb -0.10 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1gm1 s VAL 68 CO -0.11 -0.10 0.62 -3.20 0.00 0.00 0.00 175.10 172.31 1gm1 n ASN 69 N 5.22 -6.08 0.00 3.32 5.15 0.98 -1.03 115.26 122.81 1gm1 n ASN 69 Ca -0.11 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 1gm1 n ASN 69 Cb 0.49 -4.91 0.00 0.00 -0.53 0.00 0.00 39.78 34.83 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 -1.53 0.74 3.43 8.20 0.00 -1.26 -4.99 105.19 109.78 1gm1 n GLY 70 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.21 5.21 -0.00 1.61 1.01 -0.20 -5.05 120.40 120.77 1gm1 s VAL 71 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1gm1 s VAL 71 Cb 0.00 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1gm1 s VAL 71 CO 0.00 -0.46 1.29 -0.55 0.00 0.00 0.00 175.10 175.38 1gm1 s SER 72 N 2.11 6.97 -0.15 3.32 0.15 -1.26 -1.12 113.70 123.71 1gm1 s SER 72 Ca 0.06 1.99 -0.00 0.00 0.70 0.00 0.00 55.95 58.70 1gm1 s SER 72 Cb -0.21 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.66 1gm1 s SER 72 CO 0.09 -0.62 1.83 0.18 1.20 0.00 0.00 173.24 175.93 1gm1 n LEU 73 N 4.97 5.48 -4.66 3.45 4.77 0.10 -4.89 117.00 126.22 1gm1 n LEU 73 Ca 0.11 -2.68 -0.43 0.00 -0.03 0.00 0.00 56.01 52.98 1gm1 n LEU 73 Cb 0.45 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 1gm1 n LEU 73 CO 0.57 1.01 1.09 -1.61 -1.33 0.00 0.00 177.39 177.12 1gm1 s GLU 74 N -0.92 4.24 -0.15 3.23 2.02 -1.26 -2.58 118.70 123.28 1gm1 s GLU 74 Ca 0.16 1.69 0.00 0.00 0.02 0.00 0.00 54.97 56.84 1gm1 s GLU 74 Cb 0.12 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1gm1 s GLU 74 CO 0.00 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.00 1gm1 n GLY 75 N 3.62 0.45 3.76 -1.39 0.00 -1.26 -4.98 105.19 105.39 1gm1 n GLY 75 Ca 0.14 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.78 3.40 0.76 4.61 0.00 -1.07 -4.78 121.76 122.92 1gm1 s ALA 76 Ca 0.00 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1gm1 s ALA 76 Cb 0.00 -3.39 0.15 0.00 0.00 0.00 0.00 23.12 19.87 1gm1 s ALA 76 CO 0.00 -0.40 0.99 0.25 0.00 0.00 0.00 175.76 176.60 1gm1 n THR 77 N 0.87 0.00 -0.07 0.00 -2.24 -1.26 -2.53 114.28 109.04 1gm1 n THR 77 Ca 0.00 -1.43 -0.13 0.00 -2.27 0.00 0.00 64.05 60.22 1gm1 n THR 77 Cb 0.44 -0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 67.62 1gm1 n THR 77 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1gm1 h HIS 78 N -0.74 0.52 -0.87 4.78 2.76 -1.85 -2.65 115.15 117.11 1gm1 h HIS 78 Ca -0.33 -0.15 0.07 0.00 -2.20 0.00 0.00 60.37 57.76 1gm1 h HIS 78 Cb 1.16 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.94 1gm1 h HIS 78 CO 0.00 0.78 0.54 0.87 -1.30 0.00 0.00 177.93 178.82 1gm1 h LYS 79 N 0.12 0.94 0.16 5.26 6.56 -1.95 -1.30 116.57 126.35 1gm1 h LYS 79 Ca 0.04 -0.06 0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1gm1 h LYS 79 Cb 0.67 -0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 32.10 1gm1 h LYS 79 CO 0.04 0.62 -0.18 0.37 -2.06 0.00 0.00 179.45 178.25 1gm1 h GLN 80 N 0.97 -0.36 -0.26 3.15 -0.00 -1.89 -0.67 115.11 116.04 1gm1 h GLN 80 Ca 0.38 0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.97 1gm1 h GLN 80 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.75 1gm1 h GLN 80 CO -0.18 -0.24 -0.18 0.00 0.00 0.00 0.00 178.83 178.23 1gm1 h ALA 81 N 0.42 0.38 -0.06 3.38 0.00 -1.44 -2.72 119.26 119.21 1gm1 h ALA 81 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1gm1 h ALA 81 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1gm1 h ALA 81 CO -0.05 0.29 0.01 0.28 0.00 0.00 0.00 179.25 179.78 1gm1 h VAL 82 N 0.31 1.22 -0.16 0.00 2.07 -1.19 0.16 116.25 118.67 1gm1 h VAL 82 Ca 0.05 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 1gm1 h VAL 82 Cb 0.71 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1gm1 h VAL 82 CO 0.05 0.19 -0.20 -0.33 0.02 0.00 0.00 177.57 177.29 1gm1 h GLU 83 N -0.15 0.27 -0.28 1.57 4.39 -1.22 0.66 114.58 119.81 1gm1 h GLU 83 Ca 0.02 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1gm1 h GLU 83 Cb 0.29 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1gm1 h GLU 83 CO 0.00 0.47 -0.04 1.15 -1.16 0.00 0.00 179.01 179.43 1gm1 h THR 84 N 0.25 1.27 0.00 1.13 2.02 -1.28 0.49 112.91 116.79 1gm1 h THR 84 Ca 0.04 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.11 1gm1 h THR 84 Cb 0.51 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1gm1 h THR 84 CO 0.03 0.33 -0.40 -0.07 0.37 0.00 0.00 175.52 175.78 1gm1 h LEU 85 N 0.29 0.00 -0.04 2.58 3.38 -0.29 -3.16 115.31 118.07 1gm1 h LEU 85 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1gm1 h LEU 85 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1gm1 h LEU 85 CO 0.02 0.40 -0.20 0.03 0.09 0.00 0.00 178.44 178.78 1gm1 h ARG 86 N 0.00 0.20 -2.37 1.13 3.08 -0.80 -3.37 114.38 112.24 1gm1 h ARG 86 Ca -0.00 -0.17 -0.61 0.00 0.07 0.00 0.00 59.98 59.26 1gm1 h ARG 86 Cb 0.74 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.70 1gm1 h ARG 86 CO 0.05 0.83 1.58 -1.71 -1.07 0.00 0.00 179.97 179.65 1gm1 n ASN 87 N -4.55 7.34 -4.34 7.04 5.15 0.16 -4.94 115.26 121.12 1gm1 n ASN 87 Ca -0.09 -3.09 -0.27 0.00 -0.60 0.00 0.00 54.58 50.53 1gm1 n ASN 87 Cb 0.45 -1.33 0.16 0.00 -0.53 0.00 0.00 39.78 38.52 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 -1.24 2.05 0.00 -0.44 -4.23 -1.24 -4.89 115.64 105.64 1gm1 s THR 88 Ca 0.58 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1gm1 s THR 88 Cb 0.27 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1gm1 s THR 88 CO -0.14 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1gm1 n GLY 89 N -3.41 0.18 0.07 3.99 0.00 -1.26 -5.02 105.19 99.74 1gm1 n GLY 89 Ca 0.15 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.03 -5.58 1.61 -0.00 -2.00 -3.44 115.11 105.68 1gm1 h GLN 90 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 58.65 58.02 1gm1 h GLN 90 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 27.48 27.40 1gm1 h GLN 90 CO 0.00 0.52 -0.42 0.08 0.00 0.00 0.00 178.83 179.01 1gm1 s VAL 91 N -3.92 5.39 -0.19 2.39 1.01 -1.26 -2.05 120.40 121.77 1gm1 s VAL 91 Ca -0.16 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1gm1 s VAL 91 Cb 0.01 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1gm1 s VAL 91 CO 0.66 0.53 0.01 -0.69 0.00 0.00 0.00 175.10 175.61 1gm1 s VAL 92 N -0.46 4.09 -0.37 2.92 1.01 0.19 -4.96 120.40 122.83 1gm1 s VAL 92 Ca 0.15 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 1gm1 s VAL 92 Cb -0.13 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1gm1 s VAL 92 CO 0.04 0.44 0.19 -2.28 0.00 0.00 0.00 175.10 173.49 1gm1 s HIS 93 N 0.82 3.25 0.12 5.22 2.46 -1.26 -0.49 115.29 125.41 1gm1 s HIS 93 Ca 0.01 -1.04 0.08 0.00 0.47 0.00 0.00 55.06 54.58 1gm1 s HIS 93 Cb -0.14 -2.42 -0.04 0.00 -0.13 0.00 0.00 32.58 29.86 1gm1 s HIS 93 CO 0.02 -0.66 -0.20 -0.48 -2.47 0.00 0.00 174.74 170.94 1gm1 s LEU 94 N 1.53 2.33 -0.09 8.88 0.05 0.03 -0.01 118.68 131.40 1gm1 s LEU 94 Ca 0.01 -0.73 0.02 0.00 0.05 0.00 0.00 54.13 53.49 1gm1 s LEU 94 Cb -0.19 -0.87 -0.02 0.00 -2.05 0.00 0.00 46.19 43.06 1gm1 s LEU 94 CO 0.06 0.04 -0.15 -0.22 -0.55 0.00 0.00 176.35 175.52 1gm1 s LEU 95 N -2.09 2.63 0.31 1.48 2.96 -0.59 -0.31 118.68 123.07 1gm1 s LEU 95 Ca 0.09 -0.31 -0.11 0.00 -0.22 0.00 0.00 54.13 53.58 1gm1 s LEU 95 Cb -0.09 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.05 1gm1 s LEU 95 CO 0.05 0.24 0.55 -1.48 -1.32 0.00 0.00 176.35 174.39 1gm1 s LEU 96 N -0.10 0.44 -0.08 -0.68 -0.00 -0.67 -1.51 118.68 116.06 1gm1 s LEU 96 Ca -0.02 -1.13 0.05 0.00 -0.00 0.00 0.00 54.13 53.03 1gm1 s LEU 96 Cb -0.14 1.95 -0.01 0.00 -0.00 0.00 0.00 46.19 47.99 1gm1 s LEU 96 CO 0.04 -1.31 -0.23 -0.70 -0.00 0.00 0.00 176.35 174.14 1gm1 s GLU 97 N -3.38 2.85 0.37 1.48 2.12 -0.04 -1.99 118.70 120.11 1gm1 s GLU 97 Ca 0.23 -0.87 -0.24 0.00 0.36 0.00 0.00 54.97 54.44 1gm1 s GLU 97 Cb -0.02 -2.27 -0.10 0.00 0.26 0.00 0.00 34.13 32.00 1gm1 s GLU 97 CO 0.13 0.28 0.98 0.21 -0.54 0.00 0.00 175.26 176.31 1gm1 s LYS 98 N 0.10 4.39 -1.28 4.30 2.36 0.46 -1.20 119.74 128.88 1gm1 s LYS 98 Ca -0.11 1.34 -0.16 0.00 -2.55 0.00 0.00 55.97 54.49 1gm1 s LYS 98 Cb -0.16 -2.60 0.11 0.00 -1.05 0.00 0.00 37.83 34.13 1gm1 s LYS 98 CO 0.06 0.10 1.67 0.41 1.55 0.00 0.00 175.35 179.14 1gm1 n GLY 99 N 0.26 3.14 3.95 5.54 0.00 -1.26 -4.80 105.19 112.02 1gm1 n GLY 99 Ca 0.04 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 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 2.92 1.16 -0.25 1.61 -2.07 -1.26 -4.95 119.66 116.82 1gm1 s GLN 100 Ca 0.48 -0.61 -0.06 0.00 -1.82 0.00 0.00 55.36 53.35 1gm1 s GLN 100 Cb 0.02 -2.04 -0.01 0.00 -1.09 0.00 0.00 33.01 29.89 1gm1 s GLN 100 CO 0.03 -1.97 0.04 0.08 -1.32 0.00 0.00 175.29 172.16 1gm1 s VAL 101 N -3.58 3.95 -2.00 3.63 1.01 -1.26 -5.11 120.40 117.04 1gm1 s VAL 101 Ca 0.70 -0.41 0.24 0.00 0.00 0.00 0.00 61.98 62.51 1gm1 s VAL 101 Cb -0.05 -2.89 0.68 0.00 0.00 0.00 0.00 36.38 34.11 1gm1 s VAL 101 CO 0.49 0.29 1.78 -0.81 0.00 0.00 0.00 175.10 176.85