#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 -0.23 0.00 1.97 0.04 -1.26 -4.34 135.00 131.17 1gm1 s PRO 10 Ca 0.00 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.72 1gm1 s PRO 10 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1gm1 s PRO 10 CO 0.00 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.44 1gm1 n GLY 11 N -2.67 2.95 3.90 0.56 0.00 -0.65 -5.00 105.19 104.29 1gm1 n GLY 11 Ca 0.15 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1gm1 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gm1 s ASP 12 N 0.90 4.90 0.27 1.61 2.15 -1.26 -4.57 116.67 120.67 1gm1 s ASP 12 Ca 0.00 0.86 0.07 0.00 0.43 0.00 0.00 52.55 53.91 1gm1 s ASP 12 Cb 0.00 -1.50 -0.03 0.00 -0.30 0.00 0.00 42.92 41.09 1gm1 s ASP 12 CO 0.00 -1.65 0.24 0.42 -0.17 0.00 0.00 175.17 174.01 1gm1 s THR 13 N -3.45 4.25 -0.09 1.71 -4.23 -1.26 -0.88 115.64 111.69 1gm1 s THR 13 Ca 0.60 -1.36 -0.09 0.00 -1.18 0.00 0.00 61.69 59.66 1gm1 s THR 13 Cb -0.11 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.38 1gm1 s THR 13 CO 0.49 -0.30 0.26 -0.36 -0.54 0.00 0.00 174.62 174.17 1gm1 s PHE 14 N -2.17 -0.27 -0.03 3.99 0.40 -0.54 -4.96 117.98 114.39 1gm1 s PHE 14 Ca 0.35 0.66 -0.21 0.00 -0.60 0.00 0.00 56.93 57.13 1gm1 s PHE 14 Cb -0.07 0.09 -0.05 0.00 0.51 0.00 0.00 43.02 43.50 1gm1 s PHE 14 CO 0.26 -0.15 0.61 -1.21 0.70 0.00 0.00 175.22 175.43 1gm1 s GLU 15 N 0.04 4.36 -0.37 0.44 8.01 -1.26 -1.33 118.70 128.59 1gm1 s GLU 15 Ca -0.01 0.74 0.04 0.00 0.01 0.00 0.00 54.97 55.75 1gm1 s GLU 15 Cb -0.02 -3.38 0.11 0.00 -4.31 0.00 0.00 34.13 26.52 1gm1 s GLU 15 CO 0.01 0.26 0.09 0.08 0.01 0.00 0.00 175.26 175.70 1gm1 s VAL 16 N 0.19 2.24 -0.59 2.63 1.01 0.20 -4.99 120.40 121.09 1gm1 s VAL 16 Ca 0.32 -2.46 -0.21 0.00 0.00 0.00 0.00 61.98 59.63 1gm1 s VAL 16 Cb -0.18 -2.64 0.07 0.00 0.00 0.00 0.00 36.38 33.63 1gm1 s VAL 16 CO 0.17 -0.64 0.81 -1.61 0.00 0.00 0.00 175.10 173.82 1gm1 s GLU 17 N 0.73 3.13 -0.10 2.72 2.02 -1.26 -1.37 118.70 124.58 1gm1 s GLU 17 Ca 0.12 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.25 1gm1 s GLU 17 Cb -0.20 -4.18 0.01 0.00 0.10 0.00 0.00 34.13 29.86 1gm1 s GLU 17 CO -0.07 -1.54 -0.19 -1.17 0.02 0.00 0.00 175.26 172.30 1gm1 s LEU 18 N 3.33 1.92 -0.23 1.80 0.20 0.45 -4.91 118.68 121.22 1gm1 s LEU 18 Ca 0.19 -0.48 -0.10 0.00 0.69 0.00 0.00 54.13 54.43 1gm1 s LEU 18 Cb -0.19 -1.21 -0.05 0.00 -0.43 0.00 0.00 46.19 44.31 1gm1 s LEU 18 CO 0.11 0.09 0.14 0.00 -0.29 0.00 0.00 176.35 176.40 1gm1 s ALA 19 N 0.59 3.53 0.55 5.97 0.00 -1.26 0.20 121.76 131.33 1gm1 s ALA 19 Ca -0.14 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.73 1gm1 s ALA 19 Cb -0.17 -2.24 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 1gm1 s ALA 19 CO 0.05 -0.17 1.13 0.15 0.00 0.00 0.00 175.76 176.91 1gm1 s LYS 20 N 1.02 3.33 -0.86 0.00 1.02 -0.28 -4.83 119.74 119.14 1gm1 s LYS 20 Ca 0.07 1.61 -0.10 0.00 0.02 0.00 0.00 55.97 57.56 1gm1 s LYS 20 Cb -0.14 -2.00 0.22 0.00 -0.52 0.00 0.00 37.83 35.39 1gm1 s LYS 20 CO 0.04 -0.86 0.78 0.95 -0.92 0.00 0.00 175.35 175.34 1gm1 s THR 21 N -1.79 5.28 -0.99 2.17 -4.23 -0.20 -4.71 115.64 111.17 1gm1 s THR 21 Ca 0.73 -2.86 -0.14 0.00 -1.18 0.00 0.00 61.69 58.24 1gm1 s THR 21 Cb -0.24 -4.26 0.01 0.00 1.34 0.00 0.00 72.50 69.35 1gm1 s THR 21 CO 0.27 -1.04 0.69 -0.67 -0.54 0.00 0.00 174.62 173.34 1gm1 n ASP 22 N 3.50 -5.25 0.00 3.99 2.03 -1.26 -2.53 116.55 117.03 1gm1 n ASP 22 Ca 0.15 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.53 1gm1 n ASP 22 Cb 0.43 -2.68 0.00 0.00 -0.72 0.00 0.00 41.12 38.16 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 -1.77 2.89 3.81 0.27 0.00 -1.26 -5.03 105.19 104.10 1gm1 n GLY 23 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 0.66 6.48 -0.11 1.61 0.01 -1.05 -5.01 113.70 116.28 1gm1 s SER 24 Ca 0.00 0.57 -0.04 0.00 1.31 0.00 0.00 55.95 57.78 1gm1 s SER 24 Cb 0.00 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 1gm1 s SER 24 CO 0.00 0.28 -0.09 -0.07 0.41 0.00 0.00 173.24 173.77 1gm1 h LEU 25 N 5.56 0.00 0.00 2.44 3.38 -1.95 -0.51 115.31 124.23 1gm1 h LEU 25 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1gm1 h LEU 25 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1gm1 h LEU 25 CO 0.66 0.60 0.00 0.61 0.09 0.00 0.00 178.44 180.40 1gm1 n GLY 26 N 1.70 1.86 3.34 0.83 0.00 -1.26 0.15 105.19 111.82 1gm1 n GLY 26 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.86 1.85 -0.06 -0.61 -4.36 -1.26 -0.68 121.20 114.22 1gm1 s ILE 27 Ca 0.00 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 1gm1 s ILE 27 Cb 0.00 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.83 1gm1 s ILE 27 CO 0.00 -0.35 -0.11 -0.55 0.24 0.00 0.00 174.94 174.17 1gm1 s SER 28 N -2.78 1.61 0.21 4.36 0.15 -0.04 -4.85 113.70 112.36 1gm1 s SER 28 Ca 0.17 -0.27 0.06 0.00 0.70 0.00 0.00 55.95 56.62 1gm1 s SER 28 Cb -0.05 -0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 63.49 1gm1 s SER 28 CO 0.07 0.02 0.20 0.68 1.20 0.00 0.00 173.24 175.41 1gm1 s VAL 29 N 0.66 4.60 0.20 4.45 -7.23 -1.26 -0.72 120.40 121.10 1gm1 s VAL 29 Ca -0.13 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1gm1 s VAL 29 Cb -0.15 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 1gm1 s VAL 29 CO 0.03 -0.25 0.13 0.28 -0.31 0.00 0.00 175.10 174.99 1gm1 s THR 30 N -1.96 0.01 0.00 5.32 -1.32 0.35 -4.75 115.64 113.29 1gm1 s THR 30 Ca 0.32 -1.98 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 1gm1 s THR 30 Cb -0.09 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1gm1 s THR 30 CO 0.25 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 1gm1 n GLY 31 N -0.26 0.68 0.00 6.08 0.00 -1.26 -0.77 105.19 109.65 1gm1 n GLY 31 Ca 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1gm1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 32 N 0.00 -0.65 0.30 -0.02 0.00 -0.00 -3.40 105.19 101.41 1gm1 n GLY 32 Ca 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1gm1 h VAL 33 N 0.00 1.26 -0.70 1.61 -1.51 -0.91 -3.30 116.25 112.70 1gm1 h VAL 33 Ca 0.00 -1.17 -0.16 0.00 -1.23 0.00 0.00 66.70 64.14 1gm1 h VAL 33 Cb 0.00 0.87 -0.09 0.00 -2.13 0.00 0.00 31.29 29.94 1gm1 h VAL 33 CO 0.00 0.42 0.20 0.59 -1.23 0.00 0.00 177.57 177.55 1gm1 n ASN 34 N -4.17 5.14 0.00 4.19 3.02 -1.26 -4.36 115.26 117.82 1gm1 n ASN 34 Ca 0.02 -3.15 0.00 0.00 -0.03 0.00 0.00 54.58 51.43 1gm1 n ASN 34 Cb 0.36 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1gm1 n ASN 34 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1gm1 n THR 35 N 0.08 0.00 0.16 3.41 5.66 -1.24 -5.02 114.28 117.33 1gm1 n THR 35 Ca 0.38 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.42 1gm1 n THR 35 Cb 1.35 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 70.26 1gm1 n THR 35 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1gm1 h SER 36 N 0.00 0.00 -3.45 1.09 4.64 -1.89 -3.42 113.55 110.52 1gm1 h SER 36 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1gm1 h SER 36 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1gm1 h SER 36 CO 0.00 0.42 0.96 0.68 -0.87 0.00 0.00 176.83 178.02 1gm1 s VAL 37 N -3.15 4.10 -0.13 0.95 -7.23 -1.26 -4.99 120.40 108.69 1gm1 s VAL 37 Ca 0.03 1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 60.96 1gm1 s VAL 37 Cb 0.08 -4.65 -0.03 0.00 0.56 0.00 0.00 36.38 32.35 1gm1 s VAL 37 CO 0.72 -1.16 1.36 -0.60 -0.31 0.00 0.00 175.10 175.11 1gm1 s ARG 38 N 4.73 4.22 -1.31 4.82 3.52 -1.26 -1.74 118.95 131.94 1gm1 s ARG 38 Ca 0.46 1.80 -0.07 0.00 -0.13 0.00 0.00 55.73 57.79 1gm1 s ARG 38 Cb -0.07 -3.81 0.01 0.00 -1.56 0.00 0.00 34.95 29.51 1gm1 s ARG 38 CO 0.29 -0.73 0.98 0.72 -0.81 0.00 0.00 175.30 175.75 1gm1 n HIS 39 N 6.67 -2.49 -2.05 5.12 8.25 -1.26 -4.95 115.22 124.50 1gm1 n HIS 39 Ca 0.15 0.84 -0.42 0.00 -0.26 0.00 0.00 57.72 58.03 1gm1 n HIS 39 Cb 0.44 -4.65 -0.03 0.00 1.12 0.00 0.00 29.99 26.88 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1gm1 s GLY 40 N -3.17 1.70 0.62 -1.41 0.00 -0.71 -4.92 107.32 99.43 1gm1 s GLY 40 Ca 0.49 1.11 -0.11 0.00 0.00 0.00 0.00 44.72 46.21 1gm1 s GLY 40 CO 0.60 2.69 0.84 0.61 0.00 0.00 0.00 173.10 177.84 1gm1 n GLY 41 N 3.81 -1.39 3.58 0.20 0.00 -1.26 -2.47 105.19 107.66 1gm1 n GLY 41 Ca 0.14 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.82 5.30 0.12 -0.61 -1.09 -1.26 -0.82 121.20 120.01 1gm1 s ILE 42 Ca 0.48 0.14 0.11 0.00 -2.23 0.00 0.00 60.65 59.14 1gm1 s ILE 42 Cb -0.01 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1gm1 s ILE 42 CO 0.33 0.20 -0.27 -0.31 -1.23 0.00 0.00 174.94 173.67 1gm1 s TYR 43 N 1.78 2.27 -0.38 3.97 2.02 0.05 -0.71 117.35 126.35 1gm1 s TYR 43 Ca 0.07 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.10 1gm1 s TYR 43 Cb -0.16 -1.24 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 1gm1 s TYR 43 CO 0.11 0.32 1.29 0.08 -1.57 0.00 0.00 175.55 175.78 1gm1 s VAL 44 N -1.06 4.10 -0.14 0.71 1.01 -0.11 -0.49 120.40 124.43 1gm1 s VAL 44 Ca 0.13 1.19 -0.09 0.00 0.00 0.00 0.00 61.98 63.21 1gm1 s VAL 44 Cb -0.10 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.75 1gm1 s VAL 44 CO 0.06 -0.68 0.33 1.17 0.00 0.00 0.00 175.10 175.97 1gm1 n LYS 45 N 7.65 0.72 -3.79 2.72 0.00 0.10 -0.56 118.16 125.00 1gm1 n LYS 45 Ca 0.15 0.32 -0.12 0.00 0.00 0.00 0.00 58.31 58.65 1gm1 n LYS 45 Cb 0.48 -1.71 -0.08 0.00 0.00 0.00 0.00 35.03 33.71 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 -2.52 -0.63 -0.20 3.14 0.00 -0.97 -4.78 121.76 115.79 1gm1 s ALA 46 Ca -0.24 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 1gm1 s ALA 46 Cb 0.07 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1gm1 s ALA 46 CO 0.73 -0.31 -0.12 -1.50 0.00 0.00 0.00 175.76 174.56 1gm1 s ILE 47 N -1.84 2.71 -0.07 0.00 1.10 -1.26 -0.86 121.20 120.98 1gm1 s ILE 47 Ca -0.10 -0.72 -0.30 0.00 -0.51 0.00 0.00 60.65 59.02 1gm1 s ILE 47 Cb -0.04 -2.20 -0.03 0.00 0.15 0.00 0.00 42.46 40.35 1gm1 s ILE 47 CO 0.01 0.48 1.12 -0.63 -2.11 0.00 0.00 174.94 173.81 1gm1 s ILE 48 N 1.38 4.46 -0.14 2.00 1.09 0.15 -4.96 121.20 125.17 1gm1 s ILE 48 Ca 0.05 1.76 -0.35 0.00 -1.10 0.00 0.00 60.65 61.01 1gm1 s ILE 48 Cb -0.14 -4.13 -0.12 0.00 -1.06 0.00 0.00 42.46 37.01 1gm1 s ILE 48 CO -0.08 0.01 1.89 -2.65 -0.10 0.00 0.00 174.94 174.01 1gm1 n PRO 49 N 5.05 1.94 -2.08 2.79 -0.02 -1.26 -1.19 135.00 140.23 1gm1 n PRO 49 Ca 0.10 0.70 -0.04 0.00 -2.02 0.00 0.00 63.50 62.24 1gm1 n PRO 49 Cb 0.47 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 6.64 -0.32 -2.48 -0.52 4.76 -1.26 -5.07 118.16 119.91 1gm1 n LYS 50 Ca 0.25 0.20 -0.30 0.00 -2.87 0.00 0.00 58.31 55.59 1gm1 n LYS 50 Cb 0.27 -3.92 -0.01 0.00 -1.84 0.00 0.00 35.03 29.53 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1gm1 s GLY 51 N -2.82 1.71 0.12 0.72 0.00 -0.33 -4.99 107.32 101.73 1gm1 s GLY 51 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 44.72 44.14 1gm1 s GLY 51 CO 0.00 -0.04 1.56 0.00 0.00 0.00 0.00 173.10 174.62 1gm1 h ALA 52 N 0.43 -0.85 -0.27 3.20 0.00 -1.42 -2.85 119.26 117.50 1gm1 h ALA 52 Ca -0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1gm1 h ALA 52 Cb 1.19 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1gm1 h ALA 52 CO 0.62 -1.06 0.11 0.00 0.00 0.00 0.00 179.25 178.92 1gm1 h ALA 53 N -0.25 0.35 -0.67 0.00 0.00 -0.59 -2.85 119.26 115.25 1gm1 h ALA 53 Ca 0.03 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1gm1 h ALA 53 Cb 0.69 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 1gm1 h ALA 53 CO -0.39 -0.06 -0.54 1.49 0.00 0.00 0.00 179.25 179.75 1gm1 h GLU 54 N 0.28 -0.17 -0.04 0.00 4.22 -1.68 -2.62 114.58 114.56 1gm1 h GLU 54 Ca 0.09 0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.44 1gm1 h GLU 54 Cb 0.18 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1gm1 h GLU 54 CO -0.01 -0.11 -0.45 1.03 -2.18 0.00 0.00 179.01 177.29 1gm1 h SER 55 N -0.18 0.10 0.70 1.04 0.87 -1.53 -3.33 113.55 111.23 1gm1 h SER 55 Ca 0.11 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 1gm1 h SER 55 Cb 0.47 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1gm1 h SER 55 CO -0.73 0.53 -0.34 -0.78 -0.53 0.00 0.00 176.83 174.99 1gm1 h ASP 56 N 0.08 -0.80 0.00 6.23 3.58 -1.22 -3.48 116.42 120.81 1gm1 h ASP 56 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1gm1 h ASP 56 Cb 0.82 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1gm1 h ASP 56 CO 0.06 -0.55 0.00 0.61 -2.88 0.00 0.00 179.24 176.48 1gm1 n GLY 57 N -1.34 0.86 0.21 -0.78 0.00 -1.09 -4.94 105.19 98.10 1gm1 n GLY 57 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 3.96 0.61 -5.51 1.61 2.47 -1.93 -3.42 114.38 112.18 1gm1 h ARG 58 Ca 0.00 -0.44 -0.60 0.00 -1.26 0.00 0.00 59.98 57.68 1gm1 h ARG 58 Cb 0.00 0.07 -0.11 0.00 -1.65 0.00 0.00 29.97 28.29 1gm1 h ARG 58 CO 0.00 1.06 -0.07 0.42 0.56 0.00 0.00 179.97 181.94 1gm1 s ILE 59 N -3.86 5.12 0.31 2.04 1.01 -1.26 -5.05 121.20 119.52 1gm1 s ILE 59 Ca -0.08 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.46 1gm1 s ILE 59 Cb 0.10 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 1gm1 s ILE 59 CO 0.86 0.19 0.39 -2.28 0.00 0.00 0.00 174.94 174.10 1gm1 s HIS 60 N 1.59 1.17 0.08 3.97 2.46 -1.26 -4.76 115.29 118.54 1gm1 s HIS 60 Ca 0.23 -1.34 -0.31 0.00 0.47 0.00 0.00 55.06 54.11 1gm1 s HIS 60 Cb -0.15 -0.26 -0.08 0.00 -0.13 0.00 0.00 32.58 31.95 1gm1 s HIS 60 CO 0.09 -1.00 1.59 0.21 -2.47 0.00 0.00 174.74 173.16 1gm1 s LYS 61 N -3.36 4.22 0.00 2.88 2.20 -1.26 -2.31 119.74 122.10 1gm1 s LYS 61 Ca 0.33 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.22 1gm1 s LYS 61 Cb 0.01 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1gm1 s LYS 61 CO 0.20 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 1gm1 n GLY 62 N 3.88 0.93 3.86 5.54 0.00 0.28 -4.93 105.19 114.74 1gm1 n GLY 62 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.97 6.37 -0.24 1.61 1.01 -0.98 -4.32 116.67 117.16 1gm1 s ASP 63 Ca 0.00 1.44 -0.08 0.00 0.71 0.00 0.00 52.55 54.62 1gm1 s ASP 63 Cb 0.00 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1gm1 s ASP 63 CO 0.00 -0.75 0.08 -0.60 0.21 0.00 0.00 175.17 174.11 1gm1 s ARG 64 N -4.75 3.74 0.07 8.23 3.52 -0.46 -0.93 118.95 128.38 1gm1 s ARG 64 Ca 0.56 -0.44 -0.28 0.00 -0.13 0.00 0.00 55.73 55.44 1gm1 s ARG 64 Cb -0.11 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.89 1gm1 s ARG 64 CO 0.45 -0.11 0.87 0.08 -0.81 0.00 0.00 175.30 175.78 1gm1 s VAL 65 N 1.43 4.63 0.01 7.11 1.01 0.11 -0.58 120.40 134.12 1gm1 s VAL 65 Ca 0.06 1.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.89 1gm1 s VAL 65 Cb -0.15 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 1gm1 s VAL 65 CO 0.04 0.33 -0.01 -0.11 0.00 0.00 0.00 175.10 175.35 1gm1 n LEU 66 N 2.84 0.29 -3.47 3.92 7.94 -0.63 -4.40 117.00 123.49 1gm1 n LEU 66 Ca 0.00 0.04 -0.11 0.00 -1.11 0.00 0.00 56.01 54.83 1gm1 n LEU 66 Cb 0.50 -0.09 -0.10 0.00 0.53 0.00 0.00 43.42 44.26 1gm1 n LEU 66 CO 0.49 -0.15 -0.07 0.00 -1.11 0.00 0.00 177.39 176.55 1gm1 s ALA 67 N -2.02 -0.90 -0.40 1.96 0.00 -0.49 -0.77 121.76 119.14 1gm1 s ALA 67 Ca -0.01 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 52.68 1gm1 s ALA 67 Cb 0.00 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1gm1 s ALA 67 CO 0.01 -1.07 0.55 0.08 0.00 0.00 0.00 175.76 175.33 1gm1 s VAL 68 N 2.51 4.95 -1.40 0.00 1.01 -0.41 -0.79 120.40 126.26 1gm1 s VAL 68 Ca 0.07 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1gm1 s VAL 68 Cb -0.14 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.15 1gm1 s VAL 68 CO -0.14 -0.43 0.67 -3.20 0.00 0.00 0.00 175.10 172.00 1gm1 n ASN 69 N 5.93 -5.85 0.00 3.32 2.85 0.12 -1.41 115.26 120.23 1gm1 n ASN 69 Ca -0.04 -0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.12 1gm1 n ASN 69 Cb 0.48 -4.63 0.00 0.00 1.24 0.00 0.00 39.78 36.87 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 -1.56 1.58 3.44 8.20 0.00 -1.26 -5.01 105.19 110.59 1gm1 n GLY 70 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.54 4.58 0.20 1.61 1.01 -0.50 -5.01 120.40 119.75 1gm1 s VAL 71 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1gm1 s VAL 71 Cb 0.00 -4.53 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 1gm1 s VAL 71 CO 0.00 -1.18 1.42 -0.44 0.00 0.00 0.00 175.10 174.90 1gm1 s SER 72 N 3.35 6.73 -0.23 3.32 0.01 -1.26 -1.29 113.70 124.32 1gm1 s SER 72 Ca 0.19 2.54 -0.03 0.00 1.31 0.00 0.00 55.95 59.96 1gm1 s SER 72 Cb -0.19 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1gm1 s SER 72 CO 0.11 -0.67 2.69 0.18 0.41 0.00 0.00 173.24 175.95 1gm1 n LEU 73 N 2.94 5.98 -4.65 2.44 4.77 0.05 -4.94 117.00 123.59 1gm1 n LEU 73 Ca 0.09 -3.39 -0.43 0.00 -0.03 0.00 0.00 56.01 52.25 1gm1 n LEU 73 Cb 0.41 -1.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1gm1 n LEU 73 CO 0.60 1.49 1.11 -1.61 -1.33 0.00 0.00 177.39 177.65 1gm1 s GLU 74 N -0.77 4.16 -1.21 3.23 0.41 -1.26 -2.45 118.70 120.81 1gm1 s GLU 74 Ca 0.45 1.61 0.00 0.00 -0.41 0.00 0.00 54.97 56.62 1gm1 s GLU 74 Cb 0.27 -3.80 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 1gm1 s GLU 74 CO -0.08 -0.80 0.00 0.41 -0.49 0.00 0.00 175.26 174.30 1gm1 n GLY 75 N 3.79 0.90 3.77 -1.39 0.00 -1.26 -4.99 105.19 106.01 1gm1 n GLY 75 Ca 0.14 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.49 3.07 0.63 4.61 0.00 -1.02 -4.74 121.76 121.81 1gm1 s ALA 76 Ca 0.00 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 1gm1 s ALA 76 Cb 0.00 -3.36 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1gm1 s ALA 76 CO 0.00 -0.53 0.89 0.95 0.00 0.00 0.00 175.76 177.07 1gm1 s THR 77 N -1.51 2.46 0.15 0.00 -4.23 -1.26 -1.42 115.64 109.84 1gm1 s THR 77 Ca 0.60 -0.51 -0.19 0.00 -1.18 0.00 0.00 61.69 60.41 1gm1 s THR 77 Cb -0.28 -2.96 0.05 0.00 1.34 0.00 0.00 72.50 70.65 1gm1 s THR 77 CO 0.35 0.00 1.67 -0.74 -0.54 0.00 0.00 174.62 175.36 1gm1 h HIS 78 N -0.25 -0.26 -0.74 3.99 2.76 -1.85 -2.51 115.15 116.29 1gm1 h HIS 78 Ca -0.42 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 57.85 1gm1 h HIS 78 Cb 1.30 0.16 -0.06 0.00 1.55 0.00 0.00 27.41 30.36 1gm1 h HIS 78 CO 0.28 -0.18 0.42 0.87 -1.30 0.00 0.00 177.93 178.02 1gm1 h LYS 79 N -0.05 0.74 -0.45 5.26 6.56 -1.96 -3.10 116.57 123.58 1gm1 h LYS 79 Ca 0.16 -0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.76 1gm1 h LYS 79 Cb 0.29 -0.17 -0.05 0.00 -0.57 0.00 0.00 32.23 31.73 1gm1 h LYS 79 CO -0.35 0.49 0.15 0.37 -2.06 0.00 0.00 179.45 178.05 1gm1 h GLN 80 N 0.76 0.31 -0.44 3.15 -0.00 -1.84 0.82 115.11 117.86 1gm1 h GLN 80 Ca 0.34 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.97 1gm1 h GLN 80 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.61 1gm1 h GLN 80 CO -0.20 0.20 0.29 0.00 0.00 0.00 0.00 178.83 179.12 1gm1 h ALA 81 N 1.30 0.56 -0.41 3.38 0.00 -1.52 -2.41 119.26 120.17 1gm1 h ALA 81 Ca 0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1gm1 h ALA 81 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1gm1 h ALA 81 CO -0.22 0.03 -0.01 0.28 0.00 0.00 0.00 179.25 179.33 1gm1 h VAL 82 N 0.60 1.26 -0.65 0.00 2.07 -1.28 0.10 116.25 118.35 1gm1 h VAL 82 Ca 0.16 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1gm1 h VAL 82 Cb -0.05 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1gm1 h VAL 82 CO -0.03 0.35 0.42 -0.33 0.02 0.00 0.00 177.57 177.99 1gm1 h GLU 83 N 0.55 0.81 -0.16 1.57 4.39 -0.81 -0.11 114.58 120.82 1gm1 h GLU 83 Ca 0.11 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 1gm1 h GLU 83 Cb 0.49 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1gm1 h GLU 83 CO 0.02 0.54 -0.62 1.15 -1.16 0.00 0.00 179.01 178.94 1gm1 h THR 84 N 0.84 1.33 -0.43 1.13 2.02 -1.29 -1.60 112.91 114.90 1gm1 h THR 84 Ca 0.25 -1.90 -0.05 0.00 0.77 0.00 0.00 66.41 65.48 1gm1 h THR 84 Cb -0.04 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 1gm1 h THR 84 CO -0.08 0.59 0.06 -0.07 0.37 0.00 0.00 175.52 176.39 1gm1 h LEU 85 N 0.42 0.62 -0.79 2.58 3.38 -0.52 -2.57 115.31 118.42 1gm1 h LEU 85 Ca -0.01 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1gm1 h LEU 85 Cb 1.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1gm1 h LEU 85 CO 0.12 0.65 -0.58 0.03 0.09 0.00 0.00 178.44 178.75 1gm1 h ARG 86 N 0.64 0.08 -2.02 1.13 3.08 -0.95 -3.25 114.38 113.08 1gm1 h ARG 86 Ca 0.14 -0.05 -0.34 0.00 0.07 0.00 0.00 59.98 59.80 1gm1 h ARG 86 Cb 0.31 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.25 1gm1 h ARG 86 CO 0.00 0.64 0.06 -1.71 -1.07 0.00 0.00 179.97 177.89 1gm1 n ASN 87 N -3.86 5.88 -4.84 7.04 2.85 -0.61 -4.91 115.26 116.80 1gm1 n ASN 87 Ca -0.02 -2.81 -0.21 0.00 -0.11 0.00 0.00 54.58 51.43 1gm1 n ASN 87 Cb 0.59 -1.34 -0.04 0.00 1.24 0.00 0.00 39.78 40.23 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 -0.44 3.66 0.00 -0.44 -4.23 -1.23 -4.92 115.64 108.03 1gm1 s THR 88 Ca 0.63 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1gm1 s THR 88 Cb 0.34 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1gm1 s THR 88 CO -0.10 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1gm1 n GLY 89 N -1.34 2.01 0.13 3.99 0.00 -1.26 -5.06 105.19 103.66 1gm1 n GLY 89 Ca -0.03 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 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 0.32 -5.11 1.61 -0.00 -1.98 -3.40 115.11 106.56 1gm1 h GLN 90 Ca 0.00 -0.15 -0.64 0.00 -0.00 0.00 0.00 58.65 57.87 1gm1 h GLN 90 Cb 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 27.48 27.32 1gm1 h GLN 90 CO 0.00 0.65 -0.24 0.08 0.00 0.00 0.00 178.83 179.32 1gm1 s VAL 91 N -4.53 5.17 -0.24 2.39 1.01 -1.26 -1.13 120.40 121.80 1gm1 s VAL 91 Ca -0.14 0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 1gm1 s VAL 91 Cb 0.05 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1gm1 s VAL 91 CO 0.74 0.08 0.01 -0.69 0.00 0.00 0.00 175.10 175.24 1gm1 s VAL 92 N 2.07 3.73 -0.67 2.92 1.01 0.13 -4.91 120.40 124.68 1gm1 s VAL 92 Ca 0.14 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 1gm1 s VAL 92 Cb -0.16 -2.76 0.17 0.00 0.00 0.00 0.00 36.38 33.63 1gm1 s VAL 92 CO 0.11 0.33 0.60 -1.00 0.00 0.00 0.00 175.10 175.14 1gm1 s HIS 93 N 1.52 3.52 -0.04 5.22 3.76 -1.26 -0.41 115.29 127.60 1gm1 s HIS 93 Ca 0.05 -1.79 -0.09 0.00 -0.15 0.00 0.00 55.06 53.07 1gm1 s HIS 93 Cb -0.15 -3.73 -0.05 0.00 1.11 0.00 0.00 32.58 29.76 1gm1 s HIS 93 CO -0.00 -0.99 0.27 -1.17 -0.85 0.00 0.00 174.74 172.00 1gm1 s LEU 94 N 0.77 4.41 -0.17 0.89 2.96 -0.47 0.14 118.68 127.21 1gm1 s LEU 94 Ca 0.11 0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 54.63 1gm1 s LEU 94 Cb -0.20 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 1gm1 s LEU 94 CO -0.03 0.33 0.04 -0.22 -1.32 0.00 0.00 176.35 175.14 1gm1 s LEU 95 N -1.28 3.69 0.19 -0.68 0.20 0.03 0.61 118.68 121.43 1gm1 s LEU 95 Ca 0.22 0.04 0.02 0.00 0.69 0.00 0.00 54.13 55.10 1gm1 s LEU 95 Cb -0.14 -1.92 -0.05 0.00 -0.43 0.00 0.00 46.19 43.65 1gm1 s LEU 95 CO 0.11 0.18 0.02 -1.48 -0.29 0.00 0.00 176.35 174.90 1gm1 s LEU 96 N 0.30 2.00 -0.02 -0.68 0.05 -0.44 -1.40 118.68 118.48 1gm1 s LEU 96 Ca 0.02 -1.22 0.04 0.00 0.05 0.00 0.00 54.13 53.01 1gm1 s LEU 96 Cb -0.13 -0.04 -0.03 0.00 -2.05 0.00 0.00 46.19 43.95 1gm1 s LEU 96 CO 0.01 -0.61 -0.11 -0.70 -0.55 0.00 0.00 176.35 174.39 1gm1 s GLU 97 N -3.94 2.48 -0.13 1.48 2.12 0.26 -1.46 118.70 119.50 1gm1 s GLU 97 Ca 0.27 -0.73 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 1gm1 s GLU 97 Cb 0.06 -2.42 -0.02 0.00 0.26 0.00 0.00 34.13 32.02 1gm1 s GLU 97 CO 0.06 0.61 1.14 0.21 -0.54 0.00 0.00 175.26 176.74 1gm1 s LYS 98 N -1.08 4.32 0.30 4.30 2.36 -0.05 -1.35 119.74 128.54 1gm1 s LYS 98 Ca 0.14 1.55 -0.23 0.00 -2.55 0.00 0.00 55.97 54.88 1gm1 s LYS 98 Cb -0.11 -3.62 -0.09 0.00 -1.05 0.00 0.00 37.83 32.96 1gm1 s LYS 98 CO 0.04 -0.51 0.86 0.20 1.55 0.00 0.00 175.35 177.48 1gm1 s GLY 99 N 1.46 2.67 -0.18 5.54 0.00 -1.26 -1.63 107.32 113.92 1gm1 s GLY 99 Ca 0.52 0.36 0.08 0.00 0.00 0.00 0.00 44.72 45.68 1gm1 s GLY 99 CO 0.16 0.74 0.12 0.61 0.00 0.00 0.00 173.10 174.73 1gm1 n GLN 100 N 0.45 0.68 -2.88 2.90 10.64 -1.26 -4.79 117.38 123.12 1gm1 n GLN 100 Ca 0.01 0.14 -0.37 0.00 -1.83 0.00 0.00 57.00 54.94 1gm1 n GLN 100 Cb 0.51 -1.60 -0.06 0.00 -0.86 0.00 0.00 30.24 28.23 1gm1 n GLN 100 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1gm1 s VAL 101 N -2.53 4.30 -2.18 -0.39 1.01 -1.26 -5.09 120.40 114.27 1gm1 s VAL 101 Ca -0.19 1.71 0.31 0.00 0.00 0.00 0.00 61.98 63.81 1gm1 s VAL 101 Cb 0.07 -4.03 0.78 0.00 0.00 0.00 0.00 36.38 33.20 1gm1 s VAL 101 CO 0.75 0.26 2.06 -0.81 0.00 0.00 0.00 175.10 177.35