#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm1 s PRO 10 N 0.00 -0.93 0.00 1.64 0.04 -1.26 -4.59 135.00 129.89 1gm1 s PRO 10 Ca 0.00 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1gm1 s PRO 10 Cb 0.00 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1gm1 s PRO 10 CO 0.00 -3.49 0.00 0.41 0.04 0.00 0.00 177.00 173.96 1gm1 n GLY 11 N -1.65 0.77 3.90 0.56 0.00 -1.16 -5.05 105.19 102.56 1gm1 n GLY 11 Ca 0.15 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.33 6.47 0.31 1.61 2.15 -1.26 -4.73 116.67 118.88 1gm1 s ASP 12 Ca 0.00 0.60 -0.03 0.00 0.43 0.00 0.00 52.55 53.55 1gm1 s ASP 12 Cb 0.00 -2.09 -0.04 0.00 -0.30 0.00 0.00 42.92 40.48 1gm1 s ASP 12 CO 0.00 -0.02 0.55 0.42 -0.17 0.00 0.00 175.17 175.94 1gm1 s THR 13 N -1.79 5.06 -0.11 1.71 -4.23 -1.26 -0.30 115.64 114.71 1gm1 s THR 13 Ca 0.42 -0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.73 1gm1 s THR 13 Cb -0.12 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 69.99 1gm1 s THR 13 CO 0.26 -0.40 0.27 -0.36 -0.54 0.00 0.00 174.62 173.85 1gm1 s PHE 14 N -2.16 -0.35 0.00 3.99 0.40 -0.23 -4.94 117.98 114.69 1gm1 s PHE 14 Ca 0.42 0.81 -0.18 0.00 -0.60 0.00 0.00 56.93 57.39 1gm1 s PHE 14 Cb -0.10 0.09 -0.06 0.00 0.51 0.00 0.00 43.02 43.46 1gm1 s PHE 14 CO 0.32 -0.21 0.50 -1.21 0.70 0.00 0.00 175.22 175.33 1gm1 s GLU 15 N 0.80 4.16 -0.43 0.44 2.02 -1.26 -1.08 118.70 123.36 1gm1 s GLU 15 Ca -0.05 0.58 0.03 0.00 0.02 0.00 0.00 54.97 55.54 1gm1 s GLU 15 Cb -0.07 -3.29 0.12 0.00 0.10 0.00 0.00 34.13 31.00 1gm1 s GLU 15 CO -0.05 0.52 0.19 0.08 0.02 0.00 0.00 175.26 176.01 1gm1 s VAL 16 N -0.62 1.93 -1.04 2.63 1.01 0.05 -4.97 120.40 119.38 1gm1 s VAL 16 Ca 0.27 -2.62 -0.16 0.00 0.00 0.00 0.00 61.98 59.48 1gm1 s VAL 16 Cb -0.18 -2.37 0.17 0.00 0.00 0.00 0.00 36.38 34.00 1gm1 s VAL 16 CO 0.15 -0.77 1.21 -1.61 0.00 0.00 0.00 175.10 174.08 1gm1 s GLU 17 N 0.42 3.84 0.22 2.72 2.02 -1.26 -0.17 118.70 126.49 1gm1 s GLU 17 Ca 0.15 -2.27 0.11 0.00 0.02 0.00 0.00 54.97 52.98 1gm1 s GLU 17 Cb -0.23 -4.90 -0.05 0.00 0.10 0.00 0.00 34.13 29.06 1gm1 s GLU 17 CO -0.05 -1.68 -0.17 -0.48 0.02 0.00 0.00 175.26 172.90 1gm1 s LEU 18 N 1.68 2.69 -0.16 1.80 0.05 -0.51 -4.88 118.68 119.35 1gm1 s LEU 18 Ca 0.35 -0.82 -0.08 0.00 0.05 0.00 0.00 54.13 53.63 1gm1 s LEU 18 Cb -0.05 -1.33 -0.04 0.00 -2.05 0.00 0.00 46.19 42.72 1gm1 s LEU 18 CO -0.06 0.08 0.10 0.00 -0.55 0.00 0.00 176.35 175.92 1gm1 s ALA 19 N -2.00 3.61 0.19 1.48 0.00 -1.26 0.14 121.76 123.92 1gm1 s ALA 19 Ca 0.26 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 1gm1 s ALA 19 Cb -0.07 -1.97 -0.08 0.00 0.00 0.00 0.00 23.12 20.99 1gm1 s ALA 19 CO 0.14 0.32 1.28 0.21 0.00 0.00 0.00 175.76 177.71 1gm1 s LYS 20 N -0.11 4.42 -0.26 0.00 2.20 -0.28 -4.80 119.74 120.91 1gm1 s LYS 20 Ca 0.09 2.00 -0.07 0.00 -0.36 0.00 0.00 55.97 57.62 1gm1 s LYS 20 Cb -0.12 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 1gm1 s LYS 20 CO 0.01 -0.21 0.07 0.95 -0.36 0.00 0.00 175.35 175.80 1gm1 s THR 21 N 0.10 4.14 -1.58 3.43 -4.23 -0.80 -4.69 115.64 112.02 1gm1 s THR 21 Ca 0.56 -0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.61 1gm1 s THR 21 Cb -0.35 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.59 1gm1 s THR 21 CO 0.37 0.27 0.66 -0.67 -0.54 0.00 0.00 174.62 174.71 1gm1 n ASP 22 N 4.90 -2.27 0.00 3.99 2.03 -1.26 -0.81 116.55 123.13 1gm1 n ASP 22 Ca -0.16 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.16 1gm1 n ASP 22 Cb 0.50 -2.96 0.00 0.00 -0.72 0.00 0.00 41.12 37.94 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 -1.67 1.36 3.25 0.27 0.00 -1.26 -5.03 105.19 102.11 1gm1 n GLY 23 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1gm1 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gm1 s SER 24 N -3.13 2.82 -0.12 1.61 1.04 0.01 -5.03 113.70 110.90 1gm1 s SER 24 Ca 0.00 -0.45 -0.08 0.00 0.48 0.00 0.00 55.95 55.90 1gm1 s SER 24 Cb 0.00 -0.54 -0.03 0.00 0.10 0.00 0.00 66.02 65.55 1gm1 s SER 24 CO 0.00 0.26 -0.15 0.18 0.98 0.00 0.00 173.24 174.51 1gm1 n LEU 25 N 2.74 1.48 0.00 2.42 4.77 -1.26 -1.91 117.00 125.24 1gm1 n LEU 25 Ca -0.17 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1gm1 n LEU 25 Cb 0.52 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1gm1 n LEU 25 CO 0.24 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 1gm1 n GLY 26 N 1.63 1.39 3.08 -0.72 0.00 -1.26 0.07 105.19 109.38 1gm1 n GLY 26 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 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 1.65 -0.37 -0.61 -4.36 -1.26 -1.43 121.20 112.83 1gm1 s ILE 27 Ca 0.00 -0.72 -0.13 0.00 -0.26 0.00 0.00 60.65 59.54 1gm1 s ILE 27 Cb 0.00 -1.50 0.01 0.00 1.25 0.00 0.00 42.46 42.21 1gm1 s ILE 27 CO 0.00 0.47 0.24 -0.55 0.24 0.00 0.00 174.94 175.34 1gm1 s SER 28 N 1.05 5.92 0.28 4.36 0.15 -0.30 -4.98 113.70 120.17 1gm1 s SER 28 Ca -0.04 -0.72 0.07 0.00 0.70 0.00 0.00 55.95 55.95 1gm1 s SER 28 Cb -0.15 -2.10 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1gm1 s SER 28 CO -0.04 -0.33 0.28 0.68 1.20 0.00 0.00 173.24 175.03 1gm1 s VAL 29 N 1.65 4.34 0.29 4.45 -7.23 -1.26 -0.35 120.40 122.29 1gm1 s VAL 29 Ca 0.05 -1.27 -0.08 0.00 -1.81 0.00 0.00 61.98 58.87 1gm1 s VAL 29 Cb -0.18 -3.44 -0.00 0.00 0.56 0.00 0.00 36.38 33.32 1gm1 s VAL 29 CO 0.09 -0.28 0.47 0.28 -0.31 0.00 0.00 175.10 175.34 1gm1 s THR 30 N -2.15 0.00 0.00 5.32 -1.32 0.52 -4.78 115.64 113.22 1gm1 s THR 30 Ca 0.36 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 1gm1 s THR 30 Cb -0.08 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 1gm1 s THR 30 CO 0.27 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 1gm1 n GLY 31 N -0.46 0.52 0.00 6.08 0.00 -1.26 -0.76 105.19 109.32 1gm1 n GLY 31 Ca -0.01 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.39 0.00 -0.02 0.00 -0.35 -3.92 105.19 99.51 1gm1 n GLY 32 Ca 0.00 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.38 0.45 0.90 1.61 0.24 -0.11 -1.29 118.33 118.75 1gm1 n VAL 33 Ca 0.00 0.11 0.13 0.00 -2.04 0.00 0.00 64.34 62.54 1gm1 n VAL 33 Cb 0.00 -0.79 0.36 0.00 -1.47 0.00 0.00 33.84 31.94 1gm1 n VAL 33 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1gm1 n ASN 34 N -1.33 0.40 -4.77 -1.34 4.05 -1.26 -4.85 115.26 106.16 1gm1 n ASN 34 Ca 0.08 0.09 -0.29 0.00 0.45 0.00 0.00 54.58 54.92 1gm1 n ASN 34 Cb 0.17 -0.06 -0.06 0.00 1.23 0.00 0.00 39.78 41.06 1gm1 n ASN 34 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1gm1 s THR 35 N -3.03 4.45 -0.03 -0.44 2.01 -0.41 -5.01 115.64 113.17 1gm1 s THR 35 Ca 0.11 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1gm1 s THR 35 Cb 0.17 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.53 1gm1 s THR 35 CO 0.65 0.03 1.28 -1.20 -0.69 0.00 0.00 174.62 174.69 1gm1 n SER 36 N 0.16 3.62 -4.34 3.53 7.64 -1.26 -4.68 113.62 118.28 1gm1 n SER 36 Ca -0.09 -2.19 -0.46 0.00 1.01 0.00 0.00 58.87 57.14 1gm1 n SER 36 Cb 0.53 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 63.06 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 -0.22 5.82 -0.79 0.44 0.11 -1.26 -4.72 120.40 119.78 1gm1 s VAL 37 Ca 0.04 -3.00 -0.01 0.00 -2.93 0.00 0.00 61.98 56.08 1gm1 s VAL 37 Cb 0.03 -4.55 0.00 0.00 -1.53 0.00 0.00 36.38 30.33 1gm1 s VAL 37 CO 0.01 -1.13 0.64 0.54 -3.33 0.00 0.00 175.10 171.83 1gm1 n ARG 38 N 3.30 -1.47 0.00 1.54 3.00 -1.26 -1.40 116.66 120.37 1gm1 n ARG 38 Ca 0.20 1.05 0.00 0.00 -0.01 0.00 0.00 57.85 59.09 1gm1 n ARG 38 Cb 0.43 -3.61 0.00 0.00 0.00 0.00 0.00 32.46 29.27 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 -2.26 0.00 0.00 -1.55 8.25 -1.26 -3.79 115.22 114.61 1gm1 n HIS 39 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1gm1 n HIS 39 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 -1.86 3.80 -1.41 0.00 -0.98 -4.46 105.19 100.28 1gm1 n GLY 40 Ca 0.00 0.84 -0.36 0.00 0.00 0.00 0.00 46.02 46.50 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 2.68 -0.22 -0.02 0.00 -0.49 -4.07 107.32 105.20 1gm1 s GLY 41 Ca 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 44.72 44.90 1gm1 s GLY 41 CO 0.00 0.73 0.44 -0.42 0.00 0.00 0.00 173.10 173.85 1gm1 s ILE 42 N -1.62 5.16 0.17 0.90 -1.09 -1.26 -1.21 121.20 122.24 1gm1 s ILE 42 Ca 0.48 0.76 0.09 0.00 -2.23 0.00 0.00 60.65 59.76 1gm1 s ILE 42 Cb -0.17 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1gm1 s ILE 42 CO 0.22 0.20 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.61 1gm1 s TYR 43 N 1.65 1.98 0.03 3.97 2.02 0.06 -1.01 117.35 126.05 1gm1 s TYR 43 Ca 0.20 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.17 1gm1 s TYR 43 Cb -0.15 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 1gm1 s TYR 43 CO 0.09 0.37 1.10 0.08 -1.57 0.00 0.00 175.55 175.62 1gm1 s VAL 44 N -1.81 4.40 -0.27 0.71 1.01 0.20 -0.36 120.40 124.27 1gm1 s VAL 44 Ca 0.16 1.72 -0.14 0.00 0.00 0.00 0.00 61.98 63.73 1gm1 s VAL 44 Cb -0.07 -4.10 -0.12 0.00 0.00 0.00 0.00 36.38 32.09 1gm1 s VAL 44 CO 0.07 0.13 -0.35 1.17 0.00 0.00 0.00 175.10 176.12 1gm1 n LYS 45 N 3.95 0.58 -3.74 2.72 4.81 0.52 -1.06 118.16 125.94 1gm1 n LYS 45 Ca 0.08 0.26 -0.10 0.00 -0.87 0.00 0.00 58.31 57.67 1gm1 n LYS 45 Cb 0.48 -1.47 -0.06 0.00 0.02 0.00 0.00 35.03 34.00 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 -2.51 -0.62 -0.15 3.14 0.00 -0.96 -4.63 121.76 116.02 1gm1 s ALA 46 Ca -0.38 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 1gm1 s ALA 46 Cb 0.15 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 1gm1 s ALA 46 CO 0.48 -0.62 -0.14 -1.50 0.00 0.00 0.00 175.76 173.98 1gm1 s ILE 47 N -3.85 2.76 -0.29 0.00 1.10 -1.26 -1.15 121.20 118.51 1gm1 s ILE 47 Ca 0.06 -0.74 -0.29 0.00 -0.51 0.00 0.00 60.65 59.17 1gm1 s ILE 47 Cb 0.03 -2.17 0.00 0.00 0.15 0.00 0.00 42.46 40.47 1gm1 s ILE 47 CO -0.09 0.51 1.22 -0.63 -2.11 0.00 0.00 174.94 173.84 1gm1 s ILE 48 N 0.79 4.27 0.28 2.00 -1.09 -0.51 -5.00 121.20 121.93 1gm1 s ILE 48 Ca -0.05 1.46 -0.30 0.00 -2.23 0.00 0.00 60.65 59.53 1gm1 s ILE 48 Cb -0.15 -4.23 -0.10 0.00 -1.58 0.00 0.00 42.46 36.40 1gm1 s ILE 48 CO 0.01 -0.44 1.43 -2.16 -1.23 0.00 0.00 174.94 172.54 1gm1 s PRO 49 N 3.93 4.26 0.00 2.79 0.04 -1.26 -2.29 135.00 142.47 1gm1 s PRO 49 Ca 0.53 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.89 1gm1 s PRO 49 Cb -0.16 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1gm1 s PRO 49 CO 0.20 -0.40 0.00 1.63 0.04 0.00 0.00 177.00 178.47 1gm1 n LYS 50 N 1.88 0.00 -2.33 4.56 5.02 -1.26 -5.07 118.16 120.95 1gm1 n LYS 50 Ca 0.05 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.05 1gm1 n LYS 50 Cb 0.40 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 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 -1.94 1.56 0.14 0.72 0.00 -0.97 -4.93 107.32 101.90 1gm1 s GLY 51 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 1gm1 s GLY 51 CO 0.00 -0.15 1.58 0.00 0.00 0.00 0.00 173.10 174.54 1gm1 h ALA 52 N -0.00 -0.50 -0.28 3.20 0.00 -1.17 -0.08 119.26 120.42 1gm1 h ALA 52 Ca -0.46 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1gm1 h ALA 52 Cb 1.20 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1gm1 h ALA 52 CO 0.62 -0.88 0.06 0.00 0.00 0.00 0.00 179.25 179.04 1gm1 h ALA 53 N 0.27 0.37 -0.12 0.00 0.00 -0.67 -2.19 119.26 116.91 1gm1 h ALA 53 Ca 0.10 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1gm1 h ALA 53 Cb 0.60 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1gm1 h ALA 53 CO -0.45 0.05 -0.30 1.49 0.00 0.00 0.00 179.25 180.04 1gm1 h GLU 54 N 0.28 -0.27 0.00 0.00 4.22 -1.66 -3.20 114.58 113.96 1gm1 h GLU 54 Ca 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.53 1gm1 h GLU 54 Cb 0.31 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1gm1 h GLU 54 CO 0.00 -0.18 -0.07 0.77 -2.18 0.00 0.00 179.01 177.35 1gm1 h SER 55 N -0.28 0.00 0.30 1.04 0.02 -0.99 -3.22 113.55 110.42 1gm1 h SER 55 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1gm1 h SER 55 Cb 0.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1gm1 h SER 55 CO -0.27 0.07 -0.21 -0.78 -1.14 0.00 0.00 176.83 174.50 1gm1 h ASP 56 N 0.00 -0.55 0.00 3.07 1.82 -1.39 -3.48 116.42 115.89 1gm1 h ASP 56 Ca -0.00 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1gm1 h ASP 56 Cb 0.56 0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1gm1 h ASP 56 CO 0.01 -0.31 0.00 0.61 -1.61 0.00 0.00 179.24 177.94 1gm1 n GLY 57 N -1.26 0.62 0.11 -0.78 0.00 -1.22 -4.95 105.19 97.71 1gm1 n GLY 57 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1gm1 n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gm1 h ARG 58 N 3.85 -0.16 -6.60 1.61 2.47 -1.90 -3.44 114.38 110.22 1gm1 h ARG 58 Ca 0.00 0.01 -0.52 0.00 -1.26 0.00 0.00 59.98 58.21 1gm1 h ARG 58 Cb 0.00 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1gm1 h ARG 58 CO 0.00 0.16 0.41 0.42 0.56 0.00 0.00 179.97 181.51 1gm1 s ILE 59 N -4.88 4.26 0.06 2.04 1.01 -1.26 -5.05 121.20 117.38 1gm1 s ILE 59 Ca -0.15 1.89 -0.10 0.00 0.00 0.00 0.00 60.65 62.30 1gm1 s ILE 59 Cb 0.03 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.29 1gm1 s ILE 59 CO 0.62 0.30 0.22 -2.28 0.00 0.00 0.00 174.94 173.80 1gm1 s HIS 60 N -0.07 0.05 0.08 3.97 2.46 -1.26 -4.85 115.29 115.67 1gm1 s HIS 60 Ca 0.48 -0.33 -0.31 0.00 0.47 0.00 0.00 55.06 55.37 1gm1 s HIS 60 Cb -0.26 -0.01 -0.08 0.00 -0.13 0.00 0.00 32.58 32.10 1gm1 s HIS 60 CO 0.32 -0.49 1.60 -1.59 -2.47 0.00 0.00 174.74 172.10 1gm1 s LYS 61 N -3.05 4.22 0.00 2.88 -2.85 -1.26 -2.34 119.74 117.33 1gm1 s LYS 61 Ca -0.01 2.28 0.00 0.00 -1.00 0.00 0.00 55.97 57.24 1gm1 s LYS 61 Cb 0.01 -3.51 0.00 0.00 -2.06 0.00 0.00 37.83 32.27 1gm1 s LYS 61 CO -0.07 -0.68 0.00 0.41 0.10 0.00 0.00 175.35 175.11 1gm1 n GLY 62 N 3.89 0.60 3.89 0.59 0.00 -0.22 -4.99 105.19 108.96 1gm1 n GLY 62 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1gm1 n GLY 62 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gm1 s ASP 63 N -1.97 5.68 -0.20 1.61 1.47 -0.99 -4.09 116.67 118.17 1gm1 s ASP 63 Ca 0.00 1.10 -0.03 0.00 1.18 0.00 0.00 52.55 54.80 1gm1 s ASP 63 Cb 0.00 -2.01 -0.01 0.00 -0.34 0.00 0.00 42.92 40.56 1gm1 s ASP 63 CO 0.00 -1.15 -0.06 -0.60 0.68 0.00 0.00 175.17 174.04 1gm1 s ARG 64 N -5.22 3.39 0.03 2.11 6.06 0.26 -0.63 118.95 124.95 1gm1 s ARG 64 Ca 0.56 -0.63 -0.21 0.00 -2.50 0.00 0.00 55.73 52.95 1gm1 s ARG 64 Cb -0.11 -2.94 -0.06 0.00 0.06 0.00 0.00 34.95 31.90 1gm1 s ARG 64 CO 0.51 -0.12 0.63 0.08 -2.50 0.00 0.00 175.30 173.90 1gm1 s VAL 65 N 1.26 4.81 -0.22 7.11 1.01 -0.18 -0.06 120.40 134.12 1gm1 s VAL 65 Ca 0.03 1.33 -0.13 0.00 0.00 0.00 0.00 61.98 63.21 1gm1 s VAL 65 Cb -0.14 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1gm1 s VAL 65 CO -0.02 0.44 -0.32 0.18 0.00 0.00 0.00 175.10 175.39 1gm1 n LEU 66 N 2.46 1.77 -3.75 3.92 4.32 -0.20 -4.49 117.00 121.03 1gm1 n LEU 66 Ca -0.07 0.30 -0.13 0.00 -0.02 0.00 0.00 56.01 56.09 1gm1 n LEU 66 Cb 0.51 -0.72 -0.09 0.00 -1.62 0.00 0.00 43.42 41.50 1gm1 n LEU 66 CO 0.44 0.26 0.03 0.00 -1.22 0.00 0.00 177.39 176.90 1gm1 s ALA 67 N -2.56 -0.84 -0.20 -1.18 0.00 -0.70 -1.44 121.76 114.84 1gm1 s ALA 67 Ca -0.32 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1gm1 s ALA 67 Cb 0.10 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.16 1gm1 s ALA 67 CO 0.42 -0.24 -0.14 0.08 0.00 0.00 0.00 175.76 175.88 1gm1 s VAL 68 N -0.94 1.85 -1.36 0.00 1.01 -0.12 -0.61 120.40 120.24 1gm1 s VAL 68 Ca -0.10 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 1gm1 s VAL 68 Cb -0.04 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1gm1 s VAL 68 CO 0.03 0.28 0.80 -3.20 0.00 0.00 0.00 175.10 173.02 1gm1 n ASN 69 N 4.63 -5.92 0.00 3.32 5.15 0.77 -1.22 115.26 121.99 1gm1 n ASN 69 Ca -0.17 -0.37 0.00 0.00 -0.60 0.00 0.00 54.58 53.44 1gm1 n ASN 69 Cb 0.47 -4.65 0.00 0.00 -0.53 0.00 0.00 39.78 35.07 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 -1.66 2.58 3.52 8.20 0.00 -1.26 -4.98 105.19 111.60 1gm1 n GLY 70 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.55 5.06 -0.06 1.61 1.01 -0.36 -5.04 120.40 120.06 1gm1 s VAL 71 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 1gm1 s VAL 71 Cb 0.00 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1gm1 s VAL 71 CO 0.00 -0.31 1.48 -0.44 0.00 0.00 0.00 175.10 175.83 1gm1 s SER 72 N 1.80 6.79 0.20 3.32 0.01 -1.26 -0.94 113.70 123.62 1gm1 s SER 72 Ca 0.15 2.07 0.01 0.00 1.31 0.00 0.00 55.95 59.49 1gm1 s SER 72 Cb -0.16 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 63.65 1gm1 s SER 72 CO 0.14 -0.82 1.48 -0.07 0.41 0.00 0.00 173.24 174.38 1gm1 h LEU 73 N 9.47 0.40 0.00 2.44 3.38 -1.61 -3.48 115.31 125.90 1gm1 h LEU 73 Ca -0.36 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1gm1 h LEU 73 Cb 1.16 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1gm1 h LEU 73 CO 0.94 0.96 0.00 1.21 0.09 0.00 0.00 178.44 181.64 1gm1 n GLU 74 N -3.85 0.00 0.00 1.13 2.13 -1.26 -2.29 120.64 116.49 1gm1 n GLU 74 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1gm1 n GLU 74 Cb 0.67 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.38 1gm1 n GLU 74 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gm1 n GLY 75 N 0.00 1.15 3.76 8.31 0.00 -1.26 -5.11 105.19 112.05 1gm1 n GLY 75 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1gm1 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm1 s ALA 76 N -2.00 1.95 0.57 4.61 0.00 -0.97 -4.70 121.76 121.22 1gm1 s ALA 76 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1gm1 s ALA 76 Cb 0.00 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 20.00 1gm1 s ALA 76 CO 0.00 -1.99 0.80 0.95 0.00 0.00 0.00 175.76 175.52 1gm1 s THR 77 N -3.04 2.62 0.13 0.00 -4.23 -1.26 -0.93 115.64 108.92 1gm1 s THR 77 Ca 0.62 -0.64 -0.29 0.00 -1.18 0.00 0.00 61.69 60.20 1gm1 s THR 77 Cb -0.16 -2.98 -0.06 0.00 1.34 0.00 0.00 72.50 70.64 1gm1 s THR 77 CO 0.56 0.00 1.59 -0.74 -0.54 0.00 0.00 174.62 175.49 1gm1 h HIS 78 N 0.00 -1.11 -0.75 3.99 2.76 -1.90 -2.76 115.15 115.38 1gm1 h HIS 78 Ca -0.42 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 57.88 1gm1 h HIS 78 Cb 1.30 0.49 -0.05 0.00 1.55 0.00 0.00 27.41 30.70 1gm1 h HIS 78 CO 0.35 -0.47 0.49 0.87 -1.30 0.00 0.00 177.93 177.87 1gm1 h LYS 79 N -0.52 0.69 -0.35 5.26 1.79 -1.96 -2.66 116.57 118.82 1gm1 h LYS 79 Ca 0.06 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.54 1gm1 h LYS 79 Cb 0.62 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 31.07 1gm1 h LYS 79 CO -0.33 0.45 0.06 1.96 -1.08 0.00 0.00 179.45 180.51 1gm1 h GLN 80 N 0.71 0.17 -0.53 3.15 1.08 -1.88 0.16 115.11 117.96 1gm1 h GLN 80 Ca 0.34 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.47 1gm1 h GLN 80 Cb 0.39 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1gm1 h GLN 80 CO -0.12 0.11 0.10 0.00 -0.95 0.00 0.00 178.83 177.97 1gm1 h ALA 81 N 1.27 0.70 -0.29 3.87 0.00 -1.40 -0.92 119.26 122.49 1gm1 h ALA 81 Ca 0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1gm1 h ALA 81 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1gm1 h ALA 81 CO -0.23 0.43 0.04 0.28 0.00 0.00 0.00 179.25 179.76 1gm1 h VAL 82 N 0.76 1.24 -0.84 0.00 2.07 -1.21 0.11 116.25 118.38 1gm1 h VAL 82 Ca 0.16 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1gm1 h VAL 82 Cb 0.38 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1gm1 h VAL 82 CO 0.01 0.27 0.40 -0.33 0.02 0.00 0.00 177.57 177.94 1gm1 h GLU 83 N 0.29 1.21 -0.50 1.57 5.08 -0.64 0.20 114.58 121.79 1gm1 h GLU 83 Ca 0.09 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1gm1 h GLU 83 Cb 0.36 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1gm1 h GLU 83 CO 0.01 0.93 0.03 1.15 -1.00 0.00 0.00 179.01 180.13 1gm1 h THR 84 N 1.19 1.26 -0.43 1.13 2.02 -1.00 -0.65 112.91 116.43 1gm1 h THR 84 Ca 0.29 -1.02 -0.09 0.00 0.77 0.00 0.00 66.41 66.36 1gm1 h THR 84 Cb 0.12 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1gm1 h THR 84 CO -0.04 0.36 -0.09 -0.07 0.37 0.00 0.00 175.52 176.05 1gm1 h LEU 85 N 0.72 0.73 -1.12 2.58 3.38 -0.52 -2.71 115.31 118.37 1gm1 h LEU 85 Ca 0.14 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1gm1 h LEU 85 Cb 0.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1gm1 h LEU 85 CO 0.02 0.86 -0.44 0.03 0.09 0.00 0.00 178.44 179.00 1gm1 h ARG 86 N 0.68 0.01 -1.90 1.13 3.08 -0.82 -3.21 114.38 113.35 1gm1 h ARG 86 Ca 0.12 -0.01 -0.26 0.00 0.07 0.00 0.00 59.98 59.90 1gm1 h ARG 86 Cb 0.55 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.50 1gm1 h ARG 86 CO 0.03 0.45 0.06 -1.71 -1.07 0.00 0.00 179.97 177.73 1gm1 n ASN 87 N -4.02 5.84 -4.86 7.04 2.85 -0.26 -4.89 115.26 116.96 1gm1 n ASN 87 Ca -0.02 -2.78 -0.21 0.00 -0.11 0.00 0.00 54.58 51.46 1gm1 n ASN 87 Cb 0.46 -1.24 -0.04 0.00 1.24 0.00 0.00 39.78 40.21 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 -0.74 3.86 0.00 -0.44 -4.23 -1.22 -4.96 115.64 107.91 1gm1 s THR 88 Ca 0.44 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1gm1 s THR 88 Cb 0.26 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1gm1 s THR 88 CO -0.06 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1gm1 n GLY 89 N -1.34 1.91 0.25 3.99 0.00 -1.26 -5.06 105.19 103.68 1gm1 n GLY 89 Ca -0.03 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.55 -4.99 1.61 5.75 -1.96 -3.44 115.11 111.52 1gm1 h GLN 90 Ca 0.00 0.04 -0.64 0.00 -0.15 0.00 0.00 58.65 57.90 1gm1 h GLN 90 Cb 0.00 0.13 -0.16 0.00 1.07 0.00 0.00 27.48 28.51 1gm1 h GLN 90 CO 0.00 -0.37 -0.41 0.08 -2.65 0.00 0.00 178.83 175.48 1gm1 s VAL 91 N -3.44 5.26 -0.27 2.39 1.01 -1.26 -1.13 120.40 122.96 1gm1 s VAL 91 Ca -0.08 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1gm1 s VAL 91 Cb 0.01 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1gm1 s VAL 91 CO 0.25 0.21 -0.01 -0.69 0.00 0.00 0.00 175.10 174.86 1gm1 s VAL 92 N 1.87 3.26 -0.59 2.92 1.01 0.12 -4.96 120.40 124.03 1gm1 s VAL 92 Ca 0.10 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1gm1 s VAL 92 Cb -0.16 -2.67 0.13 0.00 0.00 0.00 0.00 36.38 33.67 1gm1 s VAL 92 CO 0.11 0.14 0.62 -1.00 0.00 0.00 0.00 175.10 174.97 1gm1 s HIS 93 N 1.38 3.19 0.38 5.22 3.76 -1.26 -1.42 115.29 126.54 1gm1 s HIS 93 Ca 0.01 -1.22 -0.01 0.00 -0.15 0.00 0.00 55.06 53.70 1gm1 s HIS 93 Cb -0.17 -3.90 -0.03 0.00 1.11 0.00 0.00 32.58 29.59 1gm1 s HIS 93 CO -0.02 -1.14 0.60 -0.51 -0.85 0.00 0.00 174.74 172.82 1gm1 s LEU 94 N 1.95 3.92 -0.06 0.89 1.43 0.76 -0.16 118.68 127.40 1gm1 s LEU 94 Ca 0.08 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 53.74 1gm1 s LEU 94 Cb -0.26 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1gm1 s LEU 94 CO 0.03 -0.37 -0.13 -0.22 0.23 0.00 0.00 176.35 175.89 1gm1 s LEU 95 N -4.41 1.73 0.27 1.79 0.20 0.22 -0.77 118.68 117.71 1gm1 s LEU 95 Ca 0.42 -0.30 -0.07 0.00 0.69 0.00 0.00 54.13 54.87 1gm1 s LEU 95 Cb -0.10 -0.83 -0.01 0.00 -0.43 0.00 0.00 46.19 44.82 1gm1 s LEU 95 CO 0.38 0.07 0.40 -1.48 -0.29 0.00 0.00 176.35 175.43 1gm1 s LEU 96 N 0.45 0.75 0.07 -0.68 0.05 -0.24 -1.03 118.68 118.06 1gm1 s LEU 96 Ca -0.11 -1.23 0.07 0.00 0.05 0.00 0.00 54.13 52.91 1gm1 s LEU 96 Cb -0.14 1.35 -0.03 0.00 -2.05 0.00 0.00 46.19 45.33 1gm1 s LEU 96 CO 0.03 -1.13 -0.18 -0.70 -0.55 0.00 0.00 176.35 173.82 1gm1 s GLU 97 N -3.71 1.04 0.22 1.48 2.12 0.91 -1.07 118.70 119.69 1gm1 s GLU 97 Ca 0.29 -1.01 -0.30 0.00 0.36 0.00 0.00 54.97 54.32 1gm1 s GLU 97 Cb 0.01 -1.17 -0.08 0.00 0.26 0.00 0.00 34.13 33.15 1gm1 s GLU 97 CO 0.14 0.27 1.07 0.21 -0.54 0.00 0.00 175.26 176.41 1gm1 s LYS 98 N -1.64 4.66 0.00 4.30 2.47 0.59 -0.57 119.74 129.55 1gm1 s LYS 98 Ca 0.03 1.70 0.00 0.00 -1.56 0.00 0.00 55.97 56.14 1gm1 s LYS 98 Cb -0.09 -3.25 0.00 0.00 -1.46 0.00 0.00 37.83 33.02 1gm1 s LYS 98 CO 0.03 0.20 0.00 0.41 0.16 0.00 0.00 175.35 176.15 1gm1 n GLY 99 N 1.67 0.65 3.72 5.54 0.00 -1.26 -2.99 105.19 112.53 1gm1 n GLY 99 Ca 0.01 -1.82 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1gm1 n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gm1 s GLN 100 N 1.53 -0.49 -0.12 1.61 -1.52 -1.26 -4.25 119.66 115.16 1gm1 s GLN 100 Ca 0.00 -0.20 0.03 0.00 -1.95 0.00 0.00 55.36 53.24 1gm1 s GLN 100 Cb 0.00 -1.69 0.01 0.00 -0.22 0.00 0.00 33.01 31.10 1gm1 s GLN 100 CO 0.00 -3.20 -0.22 0.14 -0.25 0.00 0.00 175.29 171.75 1gm1 s VAL 101 N -3.35 2.00 -2.00 1.09 -7.23 -1.26 -5.00 120.40 104.65 1gm1 s VAL 101 Ca 0.72 -0.96 0.17 0.00 -1.81 0.00 0.00 61.98 60.10 1gm1 s VAL 101 Cb -0.07 -1.75 0.47 0.00 0.56 0.00 0.00 36.38 35.59 1gm1 s VAL 101 CO 0.55 0.54 1.40 -2.65 -0.31 0.00 0.00 175.10 174.63