#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 -1.74 0.00 -1.58 0.02 -1.26 -4.69 135.00 125.76 1gm1 s PRO 10 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 61.00 60.99 1gm1 s PRO 10 Cb 0.00 -1.53 0.00 0.00 0.02 0.00 0.00 34.50 32.99 1gm1 s PRO 10 CO 0.00 -4.06 0.00 0.41 -0.33 0.00 0.00 177.00 173.02 1gm1 n GLY 11 N -0.33 1.63 3.58 0.52 0.00 -1.26 -5.07 105.19 104.26 1gm1 n GLY 11 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1gm1 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gm1 s ASP 12 N -2.00 6.59 0.10 1.61 2.15 -1.26 -4.93 116.67 118.92 1gm1 s ASP 12 Ca 0.00 0.35 0.06 0.00 0.43 0.00 0.00 52.55 53.39 1gm1 s ASP 12 Cb 0.00 -2.46 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 1gm1 s ASP 12 CO 0.00 -0.95 -0.03 0.42 -0.17 0.00 0.00 175.17 174.44 1gm1 s THR 13 N 3.62 3.83 -0.09 1.71 -4.23 -1.26 -0.66 115.64 118.56 1gm1 s THR 13 Ca 0.38 -1.09 -0.05 0.00 -1.18 0.00 0.00 61.69 59.75 1gm1 s THR 13 Cb -0.11 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 70.95 1gm1 s THR 13 CO 0.23 0.10 0.22 -0.36 -0.54 0.00 0.00 174.62 174.27 1gm1 s PHE 14 N -1.31 -0.28 -0.38 3.99 0.08 -0.20 -5.00 117.98 114.89 1gm1 s PHE 14 Ca 0.25 0.69 -0.22 0.00 0.12 0.00 0.00 56.93 57.77 1gm1 s PHE 14 Cb -0.11 0.02 0.01 0.00 -0.57 0.00 0.00 43.02 42.37 1gm1 s PHE 14 CO 0.17 -0.21 0.75 -1.21 -0.10 0.00 0.00 175.22 174.62 1gm1 s GLU 15 N 1.11 3.66 -0.53 0.44 2.02 -1.26 -1.69 118.70 122.45 1gm1 s GLU 15 Ca -0.08 0.16 -0.16 0.00 0.02 0.00 0.00 54.97 54.90 1gm1 s GLU 15 Cb -0.10 -3.84 0.12 0.00 0.10 0.00 0.00 34.13 30.42 1gm1 s GLU 15 CO -0.07 -0.88 0.49 0.08 0.02 0.00 0.00 175.26 174.90 1gm1 s VAL 16 N 3.04 5.20 -0.69 2.63 1.01 0.13 -4.94 120.40 126.78 1gm1 s VAL 16 Ca 0.29 -1.41 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 1gm1 s VAL 16 Cb -0.13 -4.31 0.15 0.00 0.00 0.00 0.00 36.38 32.08 1gm1 s VAL 16 CO 0.17 -0.83 0.73 -1.61 0.00 0.00 0.00 175.10 173.56 1gm1 s GLU 17 N 1.64 3.26 0.05 2.72 2.02 -1.26 -1.05 118.70 126.08 1gm1 s GLU 17 Ca 0.03 -1.78 0.07 0.00 0.02 0.00 0.00 54.97 53.32 1gm1 s GLU 17 Cb -0.29 -4.40 -0.03 0.00 0.10 0.00 0.00 34.13 29.51 1gm1 s GLU 17 CO 0.04 -1.46 -0.21 -1.17 0.02 0.00 0.00 175.26 172.48 1gm1 s LEU 18 N 1.75 2.17 -0.12 1.80 2.96 0.00 -4.94 118.68 122.30 1gm1 s LEU 18 Ca 0.14 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1gm1 s LEU 18 Cb -0.19 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1gm1 s LEU 18 CO -0.01 0.15 0.08 0.00 -1.32 0.00 0.00 176.35 175.25 1gm1 s ALA 19 N -0.82 3.58 0.52 5.97 0.00 -1.26 0.48 121.76 130.23 1gm1 s ALA 19 Ca 0.07 -0.72 -0.20 0.00 0.00 0.00 0.00 51.96 51.11 1gm1 s ALA 19 Cb -0.09 -1.80 -0.07 0.00 0.00 0.00 0.00 23.12 21.17 1gm1 s ALA 19 CO 0.02 0.51 1.12 -1.59 0.00 0.00 0.00 175.76 175.81 1gm1 s LYS 20 N -0.66 3.50 -0.06 0.00 -2.85 -0.78 -4.83 119.74 114.06 1gm1 s LYS 20 Ca 0.12 1.59 0.03 0.00 -1.00 0.00 0.00 55.97 56.72 1gm1 s LYS 20 Cb -0.12 -2.09 0.00 0.00 -2.06 0.00 0.00 37.83 33.57 1gm1 s LYS 20 CO 0.02 -0.73 -0.15 0.95 0.10 0.00 0.00 175.35 175.55 1gm1 s THR 21 N -1.77 1.31 -1.04 3.79 -4.23 -0.76 -4.73 115.64 108.21 1gm1 s THR 21 Ca 0.70 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1gm1 s THR 21 Cb -0.23 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1gm1 s THR 21 CO 0.27 0.39 0.00 -0.67 -0.54 0.00 0.00 174.62 174.07 1gm1 n ASP 22 N 3.47 -5.07 0.00 3.99 2.03 -1.26 -1.62 116.55 118.09 1gm1 n ASP 22 Ca -0.20 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1gm1 n ASP 22 Cb 0.53 -3.43 0.00 0.00 -0.72 0.00 0.00 41.12 37.49 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 -0.60 0.66 3.61 0.27 0.00 -1.26 -5.03 105.19 102.83 1gm1 n GLY 23 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1gm1 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gm1 s SER 24 N -2.31 3.46 -0.07 1.61 0.15 -0.64 -5.08 113.70 110.83 1gm1 s SER 24 Ca 0.00 -1.50 -0.09 0.00 0.70 0.00 0.00 55.95 55.06 1gm1 s SER 24 Cb 0.00 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 1gm1 s SER 24 CO 0.00 -0.67 -0.18 0.18 1.20 0.00 0.00 173.24 173.77 1gm1 n LEU 25 N -0.99 1.41 0.00 3.45 7.99 -1.26 -1.82 117.00 125.78 1gm1 n LEU 25 Ca -0.09 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 1gm1 n LEU 25 Cb 0.67 -0.52 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 1gm1 n LEU 25 CO 0.42 -0.31 0.00 0.61 -1.51 0.00 0.00 177.39 176.60 1gm1 n GLY 26 N 2.37 0.47 2.93 -0.72 0.00 -1.26 -0.29 105.19 108.68 1gm1 n GLY 26 Ca -0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.26 -0.03 -0.61 2.07 -1.26 -0.60 121.20 121.04 1gm1 s ILE 27 Ca 0.00 -0.19 0.07 0.00 -1.41 0.00 0.00 60.65 59.12 1gm1 s ILE 27 Cb 0.00 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.34 1gm1 s ILE 27 CO 0.00 0.04 -0.23 -0.55 -1.91 0.00 0.00 174.94 172.29 1gm1 s SER 28 N -0.17 2.78 0.42 4.50 0.15 -0.21 -4.96 113.70 116.20 1gm1 s SER 28 Ca 0.00 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.29 1gm1 s SER 28 Cb -0.02 -0.40 -0.06 0.00 -1.71 0.00 0.00 66.02 63.83 1gm1 s SER 28 CO -0.00 0.28 0.10 0.68 1.20 0.00 0.00 173.24 175.49 1gm1 s VAL 29 N -0.47 2.12 0.12 4.45 -7.23 -1.26 -0.36 120.40 117.78 1gm1 s VAL 29 Ca 0.07 -1.85 -0.15 0.00 -1.81 0.00 0.00 61.98 58.24 1gm1 s VAL 29 Cb -0.10 -2.97 0.03 0.00 0.56 0.00 0.00 36.38 33.90 1gm1 s VAL 29 CO -0.00 0.00 0.37 0.28 -0.31 0.00 0.00 175.10 175.44 1gm1 s THR 30 N -2.66 0.08 0.00 5.32 -1.32 0.08 -4.54 115.64 112.60 1gm1 s THR 30 Ca 0.37 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1gm1 s THR 30 Cb 0.07 -1.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1gm1 s THR 30 CO 0.20 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 1gm1 n GLY 31 N -0.20 -0.04 0.00 6.08 0.00 -1.26 -0.58 105.19 109.18 1gm1 n GLY 31 Ca -0.16 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1gm1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 32 N 0.00 -1.93 1.97 -0.02 0.00 -0.21 -3.81 105.19 101.19 1gm1 n GLY 32 Ca 0.00 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 1gm1 n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gm1 n VAL 33 N -0.12 2.92 0.00 1.61 0.24 -0.97 -3.65 118.33 118.36 1gm1 n VAL 33 Ca 0.00 -1.46 0.00 0.00 -2.04 0.00 0.00 64.34 60.84 1gm1 n VAL 33 Cb 0.00 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 30.43 1gm1 n VAL 33 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1gm1 n ASN 34 N 2.34 0.00 -5.00 -1.34 3.02 -1.26 -4.96 115.26 108.06 1gm1 n ASN 34 Ca 0.39 0.04 -0.21 0.00 -0.03 0.00 0.00 54.58 54.77 1gm1 n ASN 34 Cb 0.87 -0.46 0.04 0.00 -0.61 0.00 0.00 39.78 39.62 1gm1 n ASN 34 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1gm1 s THR 35 N -0.91 2.18 -0.65 3.41 -4.23 -1.26 -5.00 115.64 109.18 1gm1 s THR 35 Ca 0.00 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.34 1gm1 s THR 35 Cb 0.00 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 1gm1 s THR 35 CO 0.00 0.00 2.90 -1.20 -0.54 0.00 0.00 174.62 175.78 1gm1 n SER 36 N -2.06 6.76 -4.48 3.99 7.64 -1.26 -4.38 113.62 119.82 1gm1 n SER 36 Ca 0.11 -2.97 -0.43 0.00 1.01 0.00 0.00 58.87 56.58 1gm1 n SER 36 Cb 0.62 -1.33 -0.02 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 -0.86 4.66 -0.48 0.44 0.11 -1.26 -4.55 120.40 118.46 1gm1 s VAL 37 Ca 0.61 -1.85 -0.36 0.00 -2.93 0.00 0.00 61.98 57.44 1gm1 s VAL 37 Cb 0.31 -4.90 0.05 0.00 -1.53 0.00 0.00 36.38 30.31 1gm1 s VAL 37 CO -0.13 -1.65 0.66 -1.14 -3.33 0.00 0.00 175.10 169.50 1gm1 n ARG 38 N 6.75 -1.88 0.00 1.54 3.00 -1.26 -1.59 116.66 123.22 1gm1 n ARG 38 Ca 0.32 1.35 0.00 0.00 -0.00 0.00 0.00 57.85 59.52 1gm1 n ARG 38 Cb 0.47 -1.99 0.00 0.00 0.00 0.00 0.00 32.46 30.94 1gm1 n ARG 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1gm1 n HIS 39 N -0.39 0.00 0.00 -0.14 8.25 -1.26 -4.24 115.22 117.44 1gm1 n HIS 39 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1gm1 n HIS 39 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm1 n GLY 40 N 0.00 0.85 3.27 -1.41 0.00 -0.62 -4.87 105.19 102.41 1gm1 n GLY 40 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 1gm1 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gm1 s GLY 41 N -0.00 1.46 -0.31 -0.02 0.00 -1.20 -3.58 107.32 103.66 1gm1 s GLY 41 Ca 0.00 -1.72 -0.24 0.00 0.00 0.00 0.00 44.72 42.76 1gm1 s GLY 41 CO 0.00 -1.56 0.84 -0.42 0.00 0.00 0.00 173.10 171.96 1gm1 s ILE 42 N -3.71 4.74 0.21 0.90 -1.09 -1.26 -1.05 121.20 119.94 1gm1 s ILE 42 Ca 0.30 1.26 0.09 0.00 -2.23 0.00 0.00 60.65 60.08 1gm1 s ILE 42 Cb 0.07 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1gm1 s ILE 42 CO 0.08 -0.30 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.09 1gm1 s TYR 43 N 3.09 2.60 -0.12 3.97 2.02 0.25 -1.95 117.35 127.21 1gm1 s TYR 43 Ca 0.35 -0.24 -0.30 0.00 -0.37 0.00 0.00 57.07 56.51 1gm1 s TYR 43 Cb -0.14 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 1gm1 s TYR 43 CO 0.13 0.56 1.15 0.08 -1.57 0.00 0.00 175.55 175.91 1gm1 s VAL 44 N -1.94 4.43 -0.18 0.71 1.01 0.13 -0.74 120.40 123.82 1gm1 s VAL 44 Ca 0.27 1.73 -0.14 0.00 0.00 0.00 0.00 61.98 63.84 1gm1 s VAL 44 Cb -0.08 -4.12 -0.22 0.00 0.00 0.00 0.00 36.38 31.97 1gm1 s VAL 44 CO 0.16 -0.06 0.22 1.17 0.00 0.00 0.00 175.10 176.59 1gm1 n LYS 45 N 5.69 0.65 -3.78 2.72 4.81 0.52 -0.56 118.16 128.21 1gm1 n LYS 45 Ca 0.11 0.41 -0.11 0.00 -0.87 0.00 0.00 58.31 57.85 1gm1 n LYS 45 Cb 0.46 -1.71 -0.07 0.00 0.02 0.00 0.00 35.03 33.74 1gm1 n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gm1 s ALA 46 N -2.46 -0.56 -0.12 3.14 0.00 -0.91 -4.66 121.76 116.18 1gm1 s ALA 46 Ca -0.27 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1gm1 s ALA 46 Cb 0.07 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1gm1 s ALA 46 CO 0.66 -0.45 -0.22 -1.50 0.00 0.00 0.00 175.76 174.25 1gm1 s ILE 47 N -2.96 2.17 -0.16 0.00 1.10 -1.26 -1.05 121.20 119.04 1gm1 s ILE 47 Ca -0.02 -0.96 -0.29 0.00 -0.51 0.00 0.00 60.65 58.86 1gm1 s ILE 47 Cb 0.01 -1.85 -0.01 0.00 0.15 0.00 0.00 42.46 40.75 1gm1 s ILE 47 CO -0.06 0.55 1.17 -0.63 -2.11 0.00 0.00 174.94 173.87 1gm1 s ILE 48 N 0.52 4.42 0.00 2.00 1.09 0.23 -4.98 121.20 124.49 1gm1 s ILE 48 Ca -0.14 1.72 -0.33 0.00 -1.10 0.00 0.00 60.65 60.80 1gm1 s ILE 48 Cb -0.17 -4.11 -0.12 0.00 -1.06 0.00 0.00 42.46 37.00 1gm1 s ILE 48 CO 0.05 -0.12 1.81 -2.65 -0.10 0.00 0.00 174.94 173.94 1gm1 n PRO 49 N 6.18 2.29 -1.01 2.79 -0.02 -1.26 -1.20 135.00 142.76 1gm1 n PRO 49 Ca 0.13 0.84 -0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1gm1 n PRO 49 Cb 0.46 -2.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 5.86 -0.14 -1.90 -0.52 5.02 -1.26 -5.06 118.16 120.15 1gm1 n LYS 50 Ca 0.21 0.20 -0.32 0.00 -2.02 0.00 0.00 58.31 56.38 1gm1 n LYS 50 Cb 0.31 -3.45 0.02 0.00 -0.02 0.00 0.00 35.03 31.89 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 -2.30 1.84 0.16 0.72 0.00 -0.34 -4.86 107.32 102.54 1gm1 s GLY 51 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 1gm1 s GLY 51 CO 0.00 0.43 1.58 0.00 0.00 0.00 0.00 173.10 175.11 1gm1 h ALA 52 N -0.06 -0.31 -0.17 3.20 0.00 -0.94 0.47 119.26 121.44 1gm1 h ALA 52 Ca -0.45 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1gm1 h ALA 52 Cb 1.20 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1gm1 h ALA 52 CO 0.59 -0.80 0.06 0.00 0.00 0.00 0.00 179.25 179.09 1gm1 h ALA 53 N 0.59 0.22 -0.20 0.00 0.00 -0.96 -2.51 119.26 116.40 1gm1 h ALA 53 Ca 0.16 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gm1 h ALA 53 Cb 0.57 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1gm1 h ALA 53 CO -0.58 -0.16 -0.44 1.49 0.00 0.00 0.00 179.25 179.56 1gm1 h GLU 54 N 0.10 -0.40 -0.11 0.00 4.22 -1.68 -3.17 114.58 113.54 1gm1 h GLU 54 Ca 0.06 0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.46 1gm1 h GLU 54 Cb 0.22 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1gm1 h GLU 54 CO -0.00 -0.26 -0.21 1.03 -2.18 0.00 0.00 179.01 177.38 1gm1 h SER 55 N -0.41 0.18 0.32 1.04 0.87 -0.90 -3.10 113.55 111.55 1gm1 h SER 55 Ca 0.04 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1gm1 h SER 55 Cb 0.52 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1gm1 h SER 55 CO -0.40 0.40 -0.33 -0.78 -0.53 0.00 0.00 176.83 175.19 1gm1 h ASP 56 N 0.17 -0.91 0.00 6.23 1.82 -1.43 -3.48 116.42 118.81 1gm1 h ASP 56 Ca 0.03 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1gm1 h ASP 56 Cb 0.48 0.30 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1gm1 h ASP 56 CO 0.03 -0.44 0.00 0.61 -1.61 0.00 0.00 179.24 177.84 1gm1 n GLY 57 N -1.37 0.53 0.21 -0.78 0.00 -1.17 -4.92 105.19 97.69 1gm1 n GLY 57 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 2.93 0.00 -5.05 1.61 2.47 -1.89 -3.41 114.38 111.03 1gm1 h ARG 58 Ca 0.00 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 1gm1 h ARG 58 Cb 0.00 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.14 1gm1 h ARG 58 CO 0.00 0.17 -0.57 0.42 0.56 0.00 0.00 179.97 180.55 1gm1 s ILE 59 N -3.31 4.81 0.04 2.04 1.01 -1.26 -4.97 121.20 119.56 1gm1 s ILE 59 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1gm1 s ILE 59 Cb 0.07 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1gm1 s ILE 59 CO 0.66 0.36 0.06 1.57 0.00 0.00 0.00 174.94 177.58 1gm1 n HIS 60 N 4.46 -0.46 -2.29 3.97 -0.00 -1.26 -4.69 115.22 114.95 1gm1 n HIS 60 Ca -0.16 -0.32 -0.42 0.00 0.46 0.00 0.00 57.72 57.28 1gm1 n HIS 60 Cb 0.52 0.06 -0.03 0.00 -0.12 0.00 0.00 29.99 30.43 1gm1 n HIS 60 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1gm1 s LYS 61 N -2.12 4.28 0.00 1.57 2.20 -1.26 -2.40 119.74 122.01 1gm1 s LYS 61 Ca 0.04 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 1gm1 s LYS 61 Cb -0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1gm1 s LYS 61 CO 0.03 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 1gm1 n GLY 62 N 3.62 0.44 3.85 5.54 0.00 0.27 -4.99 105.19 113.93 1gm1 n GLY 62 Ca 0.13 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.60 6.54 -0.26 1.61 1.01 -1.01 -4.07 116.67 117.89 1gm1 s ASP 63 Ca 0.00 1.50 -0.08 0.00 0.71 0.00 0.00 52.55 54.68 1gm1 s ASP 63 Cb 0.00 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 1gm1 s ASP 63 CO 0.00 -0.62 0.08 -0.60 0.21 0.00 0.00 175.17 174.24 1gm1 s ARG 64 N -4.26 3.54 -0.22 8.23 6.06 -0.40 -0.70 118.95 131.21 1gm1 s ARG 64 Ca 0.57 -0.56 -0.19 0.00 -2.50 0.00 0.00 55.73 53.06 1gm1 s ARG 64 Cb -0.10 -3.37 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 1gm1 s ARG 64 CO 0.35 -0.25 0.54 0.08 -2.50 0.00 0.00 175.30 173.52 1gm1 s VAL 65 N 1.60 5.08 -0.13 7.11 1.01 -0.82 -0.31 120.40 133.94 1gm1 s VAL 65 Ca 0.06 0.97 -0.17 0.00 0.00 0.00 0.00 61.98 62.84 1gm1 s VAL 65 Cb -0.16 -3.86 -0.25 0.00 0.00 0.00 0.00 36.38 32.12 1gm1 s VAL 65 CO 0.04 0.13 0.47 -0.07 0.00 0.00 0.00 175.10 175.67 1gm1 h LEU 66 N 8.28 0.28 -7.35 3.92 -0.00 -1.44 -3.42 115.31 115.58 1gm1 h LEU 66 Ca -0.32 -0.80 -0.13 0.00 -0.00 0.00 0.00 57.88 56.64 1gm1 h LEU 66 Cb 1.15 -0.09 -0.24 0.00 -0.00 0.00 0.00 40.66 41.47 1gm1 h LEU 66 CO 0.74 1.59 -0.28 0.00 -0.00 0.00 0.00 178.44 180.49 1gm1 s ALA 67 N -2.45 -0.93 -0.17 1.53 0.00 -0.97 -1.16 121.76 117.61 1gm1 s ALA 67 Ca -0.22 1.07 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1gm1 s ALA 67 Cb 0.05 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1gm1 s ALA 67 CO 0.72 -0.18 -0.17 0.08 0.00 0.00 0.00 175.76 176.21 1gm1 s VAL 68 N 0.23 2.36 -1.58 0.00 1.01 -0.16 -0.65 120.40 121.61 1gm1 s VAL 68 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1gm1 s VAL 68 Cb -0.03 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1gm1 s VAL 68 CO 0.00 0.52 0.00 -3.20 0.00 0.00 0.00 175.10 172.42 1gm1 n ASN 69 N 4.38 -4.97 0.00 3.32 2.85 0.74 -0.96 115.26 120.62 1gm1 n ASN 69 Ca -0.20 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1gm1 n ASN 69 Cb 0.51 -4.02 0.00 0.00 1.24 0.00 0.00 39.78 37.51 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 -0.98 1.25 3.68 8.20 0.00 -1.26 -5.00 105.19 111.08 1gm1 n GLY 70 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.80 5.24 -0.02 1.61 1.01 -0.13 -5.05 120.40 120.25 1gm1 s VAL 71 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1gm1 s VAL 71 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1gm1 s VAL 71 CO 0.00 0.29 1.12 -0.55 0.00 0.00 0.00 175.10 175.96 1gm1 s SER 72 N 0.95 7.16 0.00 3.32 0.15 -1.26 -0.98 113.70 123.03 1gm1 s SER 72 Ca 0.17 1.79 0.24 0.00 0.70 0.00 0.00 55.95 58.85 1gm1 s SER 72 Cb -0.14 -2.57 1.25 0.00 -1.71 0.00 0.00 66.02 62.86 1gm1 s SER 72 CO 0.07 -0.46 1.83 0.18 1.20 0.00 0.00 173.24 176.05 1gm1 n LEU 73 N 4.55 0.46 -4.69 3.45 4.77 -0.31 -4.86 117.00 120.36 1gm1 n LEU 73 Ca 0.09 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 1gm1 n LEU 73 Cb 0.48 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1gm1 n LEU 73 CO 0.54 0.09 1.29 -1.61 -1.33 0.00 0.00 177.39 176.37 1gm1 s GLU 74 N -1.96 4.21 0.00 3.23 0.41 -1.26 -1.51 118.70 121.81 1gm1 s GLU 74 Ca 0.35 2.31 0.00 0.00 -0.41 0.00 0.00 54.97 57.22 1gm1 s GLU 74 Cb 0.17 -3.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.01 1gm1 s GLU 74 CO 0.28 -0.70 0.00 0.41 -0.49 0.00 0.00 175.26 174.76 1gm1 n GLY 75 N 3.92 1.68 3.78 -1.39 0.00 -1.26 -5.04 105.19 106.88 1gm1 n GLY 75 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.72 3.05 0.73 4.61 0.00 -0.57 -4.72 121.76 122.14 1gm1 s ALA 76 Ca 0.00 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 1gm1 s ALA 76 Cb 0.00 -3.32 0.14 0.00 0.00 0.00 0.00 23.12 19.94 1gm1 s ALA 76 CO 0.00 -0.38 0.97 0.25 0.00 0.00 0.00 175.76 176.60 1gm1 n THR 77 N -0.20 0.00 0.10 0.00 -2.24 -1.26 -2.29 114.28 108.39 1gm1 n THR 77 Ca 0.06 -1.52 -0.12 0.00 -2.27 0.00 0.00 64.05 60.19 1gm1 n THR 77 Cb 0.49 -0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 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 -0.61 -0.45 -0.89 4.78 2.76 -1.94 -3.01 115.15 115.78 1gm1 h HIS 78 Ca -0.32 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 57.94 1gm1 h HIS 78 Cb 1.18 0.19 -0.06 0.00 1.55 0.00 0.00 27.41 30.27 1gm1 h HIS 78 CO 0.00 -0.26 0.58 -0.22 -1.30 0.00 0.00 177.93 176.73 1gm1 h LYS 79 N -0.34 0.92 0.26 5.26 3.11 -1.96 -2.44 116.57 121.37 1gm1 h LYS 79 Ca 0.02 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1gm1 h LYS 79 Cb 0.36 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 1gm1 h LYS 79 CO -0.09 0.61 -0.17 1.96 -2.81 0.00 0.00 179.45 178.95 1gm1 h GLN 80 N 0.94 -0.41 -0.56 1.90 1.08 -1.93 -0.91 115.11 115.23 1gm1 h GLN 80 Ca 0.40 0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.57 1gm1 h GLN 80 Cb 0.30 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.80 1gm1 h GLN 80 CO -0.16 -0.27 0.14 0.00 -0.95 0.00 0.00 178.83 177.59 1gm1 h ALA 81 N 0.29 1.19 0.09 3.87 0.00 -1.44 -0.08 119.26 123.19 1gm1 h ALA 81 Ca -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1gm1 h ALA 81 Cb 0.36 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gm1 h ALA 81 CO 0.02 0.55 -0.04 0.28 0.00 0.00 0.00 179.25 180.06 1gm1 h VAL 82 N 0.83 1.01 -0.25 0.00 2.07 -1.33 0.19 116.25 118.76 1gm1 h VAL 82 Ca 0.18 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1gm1 h VAL 82 Cb 0.29 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1gm1 h VAL 82 CO -0.00 0.09 -0.10 -0.33 0.02 0.00 0.00 177.57 177.24 1gm1 h GLU 83 N -0.28 0.40 -0.02 1.57 5.08 -0.97 -0.80 114.58 119.55 1gm1 h GLU 83 Ca -0.01 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.07 1gm1 h GLU 83 Cb 0.24 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1gm1 h GLU 83 CO 0.02 0.52 -0.67 1.15 -1.00 0.00 0.00 179.01 179.02 1gm1 h THR 84 N 0.38 1.38 -0.49 1.13 2.02 -0.90 -2.13 112.91 114.31 1gm1 h THR 84 Ca 0.08 -2.06 -0.08 0.00 0.77 0.00 0.00 66.41 65.11 1gm1 h THR 84 Cb 0.42 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 1gm1 h THR 84 CO 0.02 0.61 0.00 -0.07 0.37 0.00 0.00 175.52 176.46 1gm1 h LEU 85 N 0.05 0.84 -0.34 2.58 3.38 -0.57 -3.30 115.31 117.95 1gm1 h LEU 85 Ca -0.08 -0.31 -0.19 0.00 0.09 0.00 0.00 57.88 57.39 1gm1 h LEU 85 Cb 1.36 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1gm1 h LEU 85 CO 0.13 0.95 -0.69 0.08 0.09 0.00 0.00 178.44 179.00 1gm1 h ARG 86 N 0.72 0.62 -2.77 1.13 0.11 -1.21 -3.27 114.38 109.71 1gm1 h ARG 86 Ca 0.14 -0.46 -0.70 0.00 0.10 0.00 0.00 59.98 59.05 1gm1 h ARG 86 Cb 0.51 0.08 -0.06 0.00 1.11 0.00 0.00 29.97 31.62 1gm1 h ARG 86 CO 0.02 1.09 3.00 -1.71 0.10 0.00 0.00 179.97 182.47 1gm1 n ASN 87 N -3.91 8.33 -4.74 0.08 2.85 -0.80 -4.88 115.26 112.19 1gm1 n ASN 87 Ca -0.05 -2.89 -0.27 0.00 -0.11 0.00 0.00 54.58 51.26 1gm1 n ASN 87 Cb 0.69 -1.45 -0.07 0.00 1.24 0.00 0.00 39.78 40.20 1gm1 n ASN 87 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1gm1 s THR 88 N 0.29 4.20 0.00 -0.44 -4.23 -1.24 -4.93 115.64 109.30 1gm1 s THR 88 Ca 0.61 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1gm1 s THR 88 Cb 0.19 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1gm1 s THR 88 CO -0.08 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1gm1 n GLY 89 N -0.08 1.08 0.07 3.99 0.00 -1.26 -5.01 105.19 103.98 1gm1 n GLY 89 Ca -0.09 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.05 -5.68 1.61 -0.00 -1.98 -3.43 115.11 105.58 1gm1 h GLN 90 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 57.99 1gm1 h GLN 90 Cb 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 27.48 27.36 1gm1 h GLN 90 CO 0.00 0.43 -0.57 0.54 0.00 0.00 0.00 178.83 179.23 1gm1 s VAL 91 N -4.18 4.77 -0.10 2.39 0.11 -1.26 -1.87 120.40 120.27 1gm1 s VAL 91 Ca -0.16 -0.06 0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1gm1 s VAL 91 Cb 0.01 -3.07 0.01 0.00 -1.53 0.00 0.00 36.38 31.81 1gm1 s VAL 91 CO 0.65 0.57 -0.16 -0.69 -3.33 0.00 0.00 175.10 172.14 1gm1 s VAL 92 N -0.57 1.49 -0.32 2.04 1.01 0.18 -4.98 120.40 119.26 1gm1 s VAL 92 Ca 0.11 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1gm1 s VAL 92 Cb -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1gm1 s VAL 92 CO 0.02 0.44 0.15 -1.00 0.00 0.00 0.00 175.10 174.71 1gm1 s HIS 93 N 0.82 3.18 0.33 5.22 3.76 -1.26 -0.82 115.29 126.53 1gm1 s HIS 93 Ca -0.10 -0.72 0.07 0.00 -0.15 0.00 0.00 55.06 54.16 1gm1 s HIS 93 Cb -0.16 -2.35 -0.02 0.00 1.11 0.00 0.00 32.58 31.17 1gm1 s HIS 93 CO 0.01 -0.51 0.37 -0.51 -0.85 0.00 0.00 174.74 173.25 1gm1 s LEU 94 N 1.58 3.79 -0.10 0.89 1.43 -0.22 -0.19 118.68 125.86 1gm1 s LEU 94 Ca 0.04 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1gm1 s LEU 94 Cb -0.17 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.59 1gm1 s LEU 94 CO 0.06 -0.38 -0.12 -0.22 0.23 0.00 0.00 176.35 175.92 1gm1 s LEU 95 N -4.07 1.55 0.15 1.79 2.96 0.18 -0.69 118.68 120.55 1gm1 s LEU 95 Ca 0.42 -0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1gm1 s LEU 95 Cb -0.08 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 1gm1 s LEU 95 CO 0.29 -0.02 -0.04 -1.48 -1.32 0.00 0.00 176.35 173.77 1gm1 s LEU 96 N 1.15 2.34 0.04 -0.68 -0.00 -0.68 -1.11 118.68 119.73 1gm1 s LEU 96 Ca -0.04 -1.09 0.08 0.00 -0.00 0.00 0.00 54.13 53.07 1gm1 s LEU 96 Cb -0.14 -0.15 -0.03 0.00 -0.00 0.00 0.00 46.19 45.87 1gm1 s LEU 96 CO -0.03 -0.48 -0.21 -0.70 -0.00 0.00 0.00 176.35 174.94 1gm1 s GLU 97 N -3.85 1.98 -1.25 1.48 2.12 0.58 -1.03 118.70 118.74 1gm1 s GLU 97 Ca 0.19 -1.02 -0.17 0.00 0.36 0.00 0.00 54.97 54.33 1gm1 s GLU 97 Cb 0.05 -2.12 -0.02 0.00 0.26 0.00 0.00 34.13 32.30 1gm1 s GLU 97 CO 0.01 0.53 2.13 1.17 -0.54 0.00 0.00 175.26 178.56 1gm1 n LYS 98 N 1.66 2.45 0.00 4.30 3.00 0.17 -1.27 118.16 128.46 1gm1 n LYS 98 Ca -0.16 -2.39 0.00 0.00 -0.00 0.00 0.00 58.31 55.76 1gm1 n LYS 98 Cb 0.52 -3.19 0.00 0.00 0.00 0.00 0.00 35.03 32.36 1gm1 n LYS 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1gm1 n GLY 99 N 4.27 -0.48 0.11 3.14 0.00 -1.26 -4.48 105.19 106.49 1gm1 n GLY 99 Ca 0.51 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 1gm1 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLN 100 N -0.51 0.68 -4.13 1.61 10.64 -1.26 -4.72 117.38 119.69 1gm1 n GLN 100 Ca 0.00 0.11 -0.15 0.00 -1.83 0.00 0.00 57.00 55.13 1gm1 n GLN 100 Cb 0.00 -1.58 -0.14 0.00 -0.86 0.00 0.00 30.24 27.66 1gm1 n GLN 100 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1gm1 s VAL 101 N -2.52 0.43 -2.00 -0.39 0.11 -1.26 -4.84 120.40 109.93 1gm1 s VAL 101 Ca -0.17 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 58.49 1gm1 s VAL 101 Cb 0.07 -0.41 0.16 0.00 -1.53 0.00 0.00 36.38 34.67 1gm1 s VAL 101 CO 0.76 -0.02 0.80 -2.65 -3.33 0.00 0.00 175.10 170.65