#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtl n THR 3 N 0.00-11.93 -3.02 12.58 -1.04 -1.26 -5.02 114.28 104.59 3gtl n THR 3 Ca 0.00 2.18 -0.18 0.00 -2.04 0.00 0.00 64.05 64.01 3gtl n THR 3 Cb 0.00 -6.58 0.03 0.00 -1.82 0.00 0.00 70.33 61.96 3gtl n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3gtl s PHE 4 N -1.18 2.18 0.14 -1.42 -0.12 -1.26 -5.04 117.98 111.27 3gtl s PHE 4 Ca -0.12 -0.55 0.06 0.00 -0.05 0.00 0.00 56.93 56.28 3gtl s PHE 4 Cb 0.01 -2.30 -0.04 0.00 -0.63 0.00 0.00 43.02 40.06 3gtl s PHE 4 CO 0.75 -0.75 -0.01 0.50 -0.05 0.00 0.00 175.22 175.66 3gtl s ARG 5 N -4.49 2.42 -0.03 1.99 6.06 -1.26 -5.13 118.95 118.51 3gtl s ARG 5 Ca 0.58 -1.01 0.06 0.00 -2.50 0.00 0.00 55.73 52.87 3gtl s ARG 5 Cb -0.08 -2.41 -0.02 0.00 0.06 0.00 0.00 34.95 32.49 3gtl s ARG 5 CO 0.36 0.49 -0.21 -0.06 -2.50 0.00 0.00 175.30 173.37 3gtl s PHE 6 N -1.53 2.48 0.04 5.12 0.40 -1.26 -3.88 117.98 119.36 3gtl s PHE 6 Ca 0.26 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 55.97 3gtl s PHE 6 Cb -0.10 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.83 3gtl s PHE 6 CO 0.18 0.06 1.18 0.00 0.70 0.00 0.00 175.22 177.34 3gtl s ARG 8 N 1.21 1.32 0.00 0.00 1.70 -1.26 -2.81 118.95 119.12 3gtl s ARG 8 Ca 0.58 -0.40 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 3gtl s ARG 8 Cb -0.28 -2.00 0.00 0.00 -0.57 0.00 0.00 34.95 32.10 3gtl s ARG 8 CO 0.28 -1.90 0.00 -0.25 -1.08 0.00 0.00 175.30 172.35 3gtl n ASP 9 N -3.39 0.00 0.00 -2.89 8.00 -1.26 -4.33 116.55 112.68 3gtl n ASP 9 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 3gtl n ASP 9 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3gtl n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtl n ASN 11 N -1.95 0.00 -0.74 0.00 5.15 -1.12 -5.11 115.26 111.49 3gtl n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3gtl n ASN 11 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3gtl n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gtl n ASN 12 N 0.00 1.38 -4.85 1.20 5.03 -1.26 -4.97 115.26 111.79 3gtl n ASN 12 Ca 0.00 -0.37 -0.35 0.00 0.87 0.00 0.00 54.58 54.73 3gtl n ASN 12 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.70 3gtl n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3gtl s MET 13 N 0.28 3.93 -0.57 3.52 1.75 -1.26 -3.78 119.30 123.17 3gtl s MET 13 Ca 0.00 0.42 -0.16 0.00 -1.25 0.00 0.00 55.69 54.70 3gtl s MET 13 Cb 0.00 -2.92 0.13 0.00 2.84 0.00 0.00 34.83 34.88 3gtl s MET 13 CO 0.00 0.48 0.55 -0.51 -0.65 0.00 0.00 175.02 174.89 3gtl s LEU 14 N -2.02 6.09 0.53 4.11 1.43 -1.25 -4.33 118.68 123.24 3gtl s LEU 14 Ca 0.38 -1.78 -0.09 0.00 -1.03 0.00 0.00 54.13 51.60 3gtl s LEU 14 Cb -0.14 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 3gtl s LEU 14 CO 0.19 -0.89 0.89 -0.31 0.23 0.00 0.00 176.35 176.47 3gtl s TYR 15 N 1.70 3.57 0.37 0.29 1.51 -0.80 -4.71 117.35 119.28 3gtl s TYR 15 Ca 0.05 1.09 0.05 0.00 -1.01 0.00 0.00 57.07 57.25 3gtl s TYR 15 Cb -0.28 -2.53 -0.00 0.00 -0.11 0.00 0.00 41.96 39.04 3gtl s TYR 15 CO 0.03 -0.42 0.53 -1.25 -1.11 0.00 0.00 175.55 173.33 3gtl s PRO 16 N -4.72 3.05 0.11 -1.71 0.04 -1.26 0.02 135.00 130.53 3gtl s PRO 16 Ca 0.52 -0.93 -0.18 0.00 0.04 0.00 0.00 61.00 60.44 3gtl s PRO 16 Cb -0.11 -2.75 0.04 0.00 0.04 0.00 0.00 34.50 31.73 3gtl s PRO 16 CO 0.45 -0.07 0.46 0.50 0.04 0.00 0.00 177.00 178.38 3gtl s ARG 17 N -4.29 1.09 0.28 4.56 3.52 0.72 -4.87 118.95 119.95 3gtl s ARG 17 Ca 0.47 -0.56 -0.28 0.00 -0.13 0.00 0.00 55.73 55.23 3gtl s ARG 17 Cb -0.10 0.49 -0.09 0.00 -1.56 0.00 0.00 34.95 33.69 3gtl s ARG 17 CO 0.33 -0.43 0.94 -2.00 -0.81 0.00 0.00 175.30 173.34 3gtl s GLU 18 N -3.46 4.73 -0.58 5.12 2.12 -1.26 -1.11 118.70 124.26 3gtl s GLU 18 Ca 0.01 1.42 -0.21 0.00 0.36 0.00 0.00 54.97 56.55 3gtl s GLU 18 Cb 0.01 -3.07 0.07 0.00 0.26 0.00 0.00 34.13 31.40 3gtl s GLU 18 CO -0.10 0.41 0.81 0.34 -0.54 0.00 0.00 175.26 176.18 3gtl s ASP 19 N -1.37 6.22 0.00 -1.70 -1.08 0.78 -4.85 116.67 114.68 3gtl s ASP 19 Ca 0.45 -0.93 0.00 0.00 -0.52 0.00 0.00 52.55 51.55 3gtl s ASP 19 Cb -0.23 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 3gtl s ASP 19 CO 0.28 -1.17 0.89 0.29 0.52 0.00 0.00 175.17 175.98 3gtl n LYS 20 N 6.92 0.00 0.04 4.34 4.76 -1.26 -2.29 118.16 130.68 3gtl n LYS 20 Ca -0.05 0.46 -0.14 0.00 -2.87 0.00 0.00 58.31 55.71 3gtl n LYS 20 Cb 0.45 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 32.18 3gtl n LYS 20 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3gtl h GLU 21 N 0.00 -0.56 -0.02 1.97 5.08 -1.98 -3.19 114.58 115.88 3gtl h GLU 21 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3gtl h GLU 21 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3gtl h GLU 21 CO 0.00 -0.38 -0.15 -1.71 -1.00 0.00 0.00 179.01 175.77 3gtl n ASN 22 N -5.45 1.80 -2.80 1.42 2.85 -1.26 -5.00 115.26 106.82 3gtl n ASN 22 Ca -0.06 -1.45 -0.07 0.00 -0.11 0.00 0.00 54.58 52.89 3gtl n ASN 22 Cb 0.38 0.12 0.03 0.00 1.24 0.00 0.00 39.78 41.55 3gtl n ASN 22 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3gtl n ASN 23 N 0.18 -5.93 -1.89 1.20 3.02 -0.97 -5.07 115.26 105.80 3gtl n ASN 23 Ca 0.14 -0.37 -0.07 0.00 -0.03 0.00 0.00 54.58 54.26 3gtl n ASN 23 Cb 0.43 -4.22 -0.01 0.00 -0.61 0.00 0.00 39.78 35.36 3gtl n ASN 23 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3gtl n ARG 24 N -2.39 0.32 -4.76 3.52 1.85 -1.17 -5.00 116.66 109.03 3gtl n ARG 24 Ca -0.03 -1.25 -0.33 0.00 -1.00 0.00 0.00 57.85 55.24 3gtl n ARG 24 Cb 0.56 1.21 -0.14 0.00 -1.05 0.00 0.00 32.46 33.03 3gtl n ARG 24 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3gtl s LEU 25 N 0.00 2.75 -0.20 2.89 2.96 -1.26 -0.15 118.68 125.67 3gtl s LEU 25 Ca 0.13 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3gtl s LEU 25 Cb -0.00 -1.62 0.06 0.00 0.50 0.00 0.00 46.19 45.13 3gtl s LEU 25 CO 0.09 0.17 0.06 -0.76 -1.32 0.00 0.00 176.35 174.59 3gtl s LEU 26 N 0.32 0.96 0.51 -0.68 1.43 -0.27 -2.95 118.68 118.00 3gtl s LEU 26 Ca -0.10 -0.81 -0.17 0.00 -1.03 0.00 0.00 54.13 52.01 3gtl s LEU 26 Cb -0.16 -0.50 -0.08 0.00 0.03 0.00 0.00 46.19 45.49 3gtl s LEU 26 CO 0.05 -0.33 1.00 -0.36 0.23 0.00 0.00 176.35 176.94 3gtl s PHE 27 N 1.94 3.32 0.03 0.29 0.40 -1.15 -0.20 117.98 122.60 3gtl s PHE 27 Ca 0.01 1.51 -0.21 0.00 -0.60 0.00 0.00 56.93 57.63 3gtl s PHE 27 Cb -0.17 -2.86 0.04 0.00 0.51 0.00 0.00 43.02 40.55 3gtl s PHE 27 CO -0.10 -0.48 0.47 -1.83 0.70 0.00 0.00 175.22 173.98 3gtl s GLU 28 N -3.87 0.95 0.55 0.44 -1.05 0.10 -2.96 118.70 112.86 3gtl s GLU 28 Ca 0.61 -0.22 0.05 0.00 -0.15 0.00 0.00 54.97 55.25 3gtl s GLU 28 Cb -0.11 0.43 0.05 0.00 -0.44 0.00 0.00 34.13 34.06 3gtl s GLU 28 CO 0.28 -0.32 0.76 0.00 0.95 0.00 0.00 175.26 176.93 3gtl n ARG 30 N -2.27 3.74 0.07 0.00 1.74 -1.26 -4.53 116.66 114.15 3gtl n ARG 30 Ca 0.11 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 57.07 3gtl n ARG 30 Cb 0.60 -0.96 -0.02 0.00 -1.02 0.00 0.00 32.46 31.06 3gtl n ARG 30 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3gtl h THR 31 N 0.02 1.41 0.00 0.55 2.02 -1.96 -3.47 112.91 111.48 3gtl h THR 31 Ca 0.00 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.77 3gtl h THR 31 Cb 0.23 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3gtl h THR 31 CO 0.00 0.72 0.00 0.00 0.37 0.00 0.00 175.52 176.61 3gtl n SER 33 N 0.00 -0.17 -4.72 0.00 7.64 -1.26 -4.92 113.62 110.18 3gtl n SER 33 Ca 0.00 -1.53 -0.42 0.00 1.01 0.00 0.00 58.87 57.93 3gtl n SER 33 Cb 0.00 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 3gtl n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3gtl s TYR 34 N 0.00 3.12 0.41 1.43 5.04 -1.26 -4.91 117.35 121.18 3gtl s TYR 34 Ca 0.03 0.85 0.04 0.00 -2.44 0.00 0.00 57.07 55.56 3gtl s TYR 34 Cb 0.04 -3.81 -0.05 0.00 0.35 0.00 0.00 41.96 38.49 3gtl s TYR 34 CO -0.02 -2.85 0.04 0.08 -1.34 0.00 0.00 175.55 171.47 3gtl s VAL 35 N 0.78 1.31 -0.13 3.14 1.01 -1.26 -2.78 120.40 122.47 3gtl s VAL 35 Ca 0.65 -2.00 -0.33 0.00 0.00 0.00 0.00 61.98 60.30 3gtl s VAL 35 Cb -0.41 -2.63 0.13 0.00 0.00 0.00 0.00 36.38 33.47 3gtl s VAL 35 CO 0.34 0.00 1.19 -1.83 0.00 0.00 0.00 175.10 174.80 3gtl s GLU 36 N -3.80 0.40 0.66 2.72 -1.05 -1.16 -5.00 118.70 111.47 3gtl s GLU 36 Ca 0.27 -0.17 -0.08 0.00 -0.15 0.00 0.00 54.97 54.84 3gtl s GLU 36 Cb 0.06 0.17 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 3gtl s GLU 36 CO 0.13 -0.18 1.00 -1.83 0.95 0.00 0.00 175.26 175.34 3gtl s GLU 37 N -2.50 2.67 0.06 -4.83 -1.05 -1.26 -2.93 118.70 108.84 3gtl s GLU 37 Ca 0.10 0.07 -0.21 0.00 -0.15 0.00 0.00 54.97 54.78 3gtl s GLU 37 Cb 0.00 -2.16 -0.06 0.00 -0.44 0.00 0.00 34.13 31.47 3gtl s GLU 37 CO -0.05 -0.98 0.63 0.00 0.95 0.00 0.00 175.26 175.81 3gtl s ALA 38 N -3.19 3.51 0.01 -0.84 0.00 -1.15 -4.84 121.76 115.26 3gtl s ALA 38 Ca 0.57 0.10 0.22 0.00 0.00 0.00 0.00 51.96 52.85 3gtl s ALA 38 Cb -0.11 -2.75 0.67 0.00 0.00 0.00 0.00 23.12 20.93 3gtl s ALA 38 CO 0.47 0.27 1.72 0.78 0.00 0.00 0.00 175.76 179.00 3gtl h GLY 39 N 4.98 0.00 -2.66 0.00 0.00 -1.97 -3.46 103.07 99.97 3gtl h GLY 39 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3gtl h GLY 39 CO 0.67 0.00 0.12 -1.35 0.00 0.00 0.00 176.54 175.98 3gtl s SER 40 N -6.25 -0.36 0.01 0.19 1.04 -1.26 -5.05 113.70 102.02 3gtl s SER 40 Ca 0.02 -0.33 0.18 0.00 0.48 0.00 0.00 55.95 56.30 3gtl s SER 40 Cb 0.09 0.61 0.76 0.00 0.10 0.00 0.00 66.02 67.58 3gtl s SER 40 CO 0.66 -1.07 1.57 -0.81 0.98 0.00 0.00 173.24 174.58 3gtl n PRO 41 N -0.37 0.01 -2.35 4.02 -0.04 -1.26 -4.80 135.00 130.22 3gtl n PRO 41 Ca -0.12 0.21 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 3gtl n PRO 41 Cb 0.63 -1.52 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 3gtl n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3gtl s LEU 42 N -3.09 4.03 -0.27 1.53 2.96 -1.26 -4.89 118.68 117.69 3gtl s LEU 42 Ca 0.08 1.52 -0.09 0.00 -0.22 0.00 0.00 54.13 55.42 3gtl s LEU 42 Cb 0.11 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 43.14 3gtl s LEU 42 CO 0.33 -0.98 -0.32 0.52 -1.32 0.00 0.00 176.35 174.59 3gtl n VAL 43 N 5.87 1.49 -3.83 1.68 0.31 -1.26 -4.96 118.33 117.62 3gtl n VAL 43 Ca 0.15 -0.43 -0.12 0.00 -0.01 0.00 0.00 64.34 63.93 3gtl n VAL 43 Cb 0.45 -1.73 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 3gtl n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3gtl s TYR 44 N -2.50 -0.10 -0.13 3.52 5.04 -1.26 -5.02 117.35 116.91 3gtl s TYR 44 Ca -0.37 0.21 -0.10 0.00 -2.44 0.00 0.00 57.07 54.37 3gtl s TYR 44 Cb 0.13 0.02 0.04 0.00 0.35 0.00 0.00 41.96 42.50 3gtl s TYR 44 CO 0.51 -0.21 0.32 0.50 -1.34 0.00 0.00 175.55 175.33 3gtl s ARG 45 N -0.68 0.34 -0.24 4.97 3.52 -1.26 -5.03 118.95 120.57 3gtl s ARG 45 Ca -0.08 0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 55.93 3gtl s ARG 45 Cb -0.04 0.08 -0.11 0.00 -1.56 0.00 0.00 34.95 33.32 3gtl s ARG 45 CO 0.01 -0.09 -0.30 1.58 -0.81 0.00 0.00 175.30 175.69 3gtl n HIS 46 N 3.41 0.00 -2.85 5.12 -0.00 -1.26 -4.98 115.22 114.66 3gtl n HIS 46 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.54 3gtl n HIS 46 Cb 0.56 -0.87 -0.01 0.00 -0.00 0.00 0.00 29.99 29.68 3gtl n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3gtl n GLU 47 N -4.02 -2.68 0.04 1.57 1.02 -1.26 -4.97 120.64 110.35 3gtl n GLU 47 Ca -0.47 2.27 -0.20 0.00 -0.02 0.00 0.00 57.16 58.73 3gtl n GLU 47 Cb 0.84 -3.93 -0.14 0.00 -0.02 0.00 0.00 31.44 28.19 3gtl n GLU 47 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gtl h LEU 48 N 3.46 0.45 -8.95 -4.62 3.38 -2.08 -3.42 115.31 103.54 3gtl h LEU 48 Ca -0.07 -0.93 -0.63 0.00 0.09 0.00 0.00 57.88 56.34 3gtl h LEU 48 Cb 0.43 -0.15 -0.15 0.00 0.09 0.00 0.00 40.66 40.88 3gtl h LEU 48 CO 0.06 1.45 -0.34 -0.63 0.09 0.00 0.00 178.44 179.07 3gtl s ILE 49 N -2.44 5.23 0.30 1.22 1.01 -1.26 -5.08 121.20 120.18 3gtl s ILE 49 Ca -0.15 0.43 0.11 0.00 0.00 0.00 0.00 60.65 61.04 3gtl s ILE 49 Cb 0.02 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 3gtl s ILE 49 CO 0.82 0.20 -0.16 -0.89 0.00 0.00 0.00 174.94 174.91 3gtl s THR 50 N 1.88 2.36 0.00 2.92 2.01 -1.26 -5.04 115.64 118.51 3gtl s THR 50 Ca 0.12 -2.33 0.00 0.00 0.31 0.00 0.00 61.69 59.80 3gtl s THR 50 Cb -0.16 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.93 3gtl s THR 50 CO 0.10 -0.33 0.00 0.59 -0.69 0.00 0.00 174.62 174.29 3gtl n ASN 51 N -0.68 1.54 -4.66 3.53 4.13 -1.26 -4.99 115.26 112.88 3gtl n ASN 51 Ca -0.05 -0.25 -0.43 0.00 1.68 0.00 0.00 54.58 55.53 3gtl n ASN 51 Cb 0.61 0.80 -0.02 0.00 -1.54 0.00 0.00 39.78 39.64 3gtl n ASN 51 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 3gtl s ILE 52 N -1.11 4.61 0.00 2.41 1.10 -1.26 -2.70 121.20 124.25 3gtl s ILE 52 Ca 0.00 1.93 0.00 0.00 -0.51 0.00 0.00 60.65 62.07 3gtl s ILE 52 Cb 0.00 -4.30 0.00 0.00 0.15 0.00 0.00 42.46 38.31 3gtl s ILE 52 CO 0.00 -0.22 0.00 0.61 -2.11 0.00 0.00 174.94 173.22 3gtl n GLY 53 N 3.44 1.70 0.00 1.50 0.00 -1.26 -5.03 105.19 105.54 3gtl n GLY 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3gtl n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtl n GLU 54 N -0.30 0.00 -1.65 1.61 1.02 -1.10 -3.17 120.64 117.06 3gtl n GLU 54 Ca 0.00 0.00 -0.60 0.00 -0.02 0.00 0.00 57.16 56.54 3gtl n GLU 54 Cb 0.00 -0.25 -0.08 0.00 -0.02 0.00 0.00 31.44 31.09 3gtl n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3gtl n THR 55 N 0.00 0.08 -3.72 2.62 -1.04 -1.26 -3.24 114.28 107.71 3gtl n THR 55 Ca 0.00 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.87 3gtl n THR 55 Cb 0.00 -0.64 -0.13 0.00 -1.82 0.00 0.00 70.33 67.74 3gtl n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtl s ALA 56 N 1.91 -0.51 -0.37 2.41 0.00 -1.26 -4.99 121.76 118.95 3gtl s ALA 56 Ca 0.96 0.94 -0.28 0.00 0.00 0.00 0.00 51.96 53.58 3gtl s ALA 56 Cb -1.22 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 21.29 3gtl s ALA 56 CO 0.64 -0.24 0.53 0.41 0.00 0.00 0.00 175.76 177.10 3gtl n GLY 57 N 4.35 -0.24 2.71 0.00 0.00 -1.26 -4.89 105.19 105.86 3gtl n GLY 57 Ca -0.23 0.97 -0.32 0.00 0.00 0.00 0.00 46.02 46.44 3gtl n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtl n VAL 58 N 0.07 3.36 -2.01 1.61 0.31 -1.26 -5.05 118.33 115.35 3gtl n VAL 58 Ca -0.04 -5.09 -0.37 0.00 -0.01 0.00 0.00 64.34 58.83 3gtl n VAL 58 Cb 0.60 -1.33 0.02 0.00 -0.91 0.00 0.00 33.84 32.22 3gtl n VAL 58 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3gtl s VAL 59 N -5.02 2.58 0.64 2.52 1.01 -1.26 -4.86 120.40 116.01 3gtl s VAL 59 Ca 0.48 0.41 0.26 0.00 0.00 0.00 0.00 61.98 63.13 3gtl s VAL 59 Cb 0.35 -3.20 0.29 0.00 0.00 0.00 0.00 36.38 33.82 3gtl s VAL 59 CO -0.22 -0.03 1.79 -0.61 0.00 0.00 0.00 175.10 176.02 3gtl h GLN 60 N 1.49 0.00 0.00 2.72 5.75 -2.02 -0.46 115.11 122.60 3gtl h GLN 60 Ca -0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3gtl h GLN 60 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.83 3gtl h GLN 60 CO 0.58 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 176.51 3gtl n ASP 61 N -3.06 0.09 0.30 -0.69 8.00 -1.26 -3.84 116.55 116.09 3gtl n ASP 61 Ca 0.02 0.52 0.18 0.00 0.71 0.00 0.00 54.79 56.22 3gtl n ASP 61 Cb 0.56 -0.54 1.01 0.00 -0.02 0.00 0.00 41.12 42.13 3gtl n ASP 61 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3gtl h ILE 62 N 0.00 0.34 0.00 0.53 2.10 -1.42 0.85 117.51 119.91 3gtl h ILE 62 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3gtl h ILE 62 Cb 0.23 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 3gtl h ILE 62 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 3gtl n GLY 63 N -1.25 -0.62 0.08 8.18 0.00 -1.25 -2.76 105.19 107.57 3gtl n GLY 63 Ca -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3gtl n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gtl n SER 64 N -1.58 1.83 -4.70 1.61 3.41 0.29 -4.97 113.62 109.52 3gtl n SER 64 Ca 0.00 -0.04 -0.60 0.00 -0.26 0.00 0.00 58.87 57.97 3gtl n SER 64 Cb 0.03 0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 3gtl n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtl n ASP 65 N -2.76 1.80 0.13 4.04 2.03 -1.11 -4.81 116.55 115.86 3gtl n ASP 65 Ca -0.28 1.12 0.12 0.00 0.52 0.00 0.00 54.79 56.27 3gtl n ASP 65 Cb 0.93 -1.05 0.10 0.00 -0.72 0.00 0.00 41.12 40.38 3gtl n ASP 65 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3gtl h PRO 66 N 5.99 0.00 -0.51 -0.67 0.13 -1.93 -3.32 132.00 131.69 3gtl h PRO 66 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3gtl h PRO 66 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3gtl h PRO 66 CO 0.93 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.95 3gtl n THR 67 N -2.68 0.18 -4.09 1.56 -2.24 -1.26 -4.77 114.28 100.99 3gtl n THR 67 Ca 0.02 -0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.36 3gtl n THR 67 Cb 0.52 -0.21 -0.16 0.00 -2.10 0.00 0.00 70.33 68.38 3gtl n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gtl s LEU 68 N -0.64 2.23 1.01 3.22 1.43 -1.25 -5.13 118.68 119.55 3gtl s LEU 68 Ca 0.05 -0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 3gtl s LEU 68 Cb 0.03 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3gtl s LEU 68 CO 0.02 -0.05 -0.37 -0.81 0.23 0.00 0.00 176.35 175.38 3gtl n PRO 69 N 4.63 -0.44 -3.69 1.29 -0.04 -1.26 -4.86 135.00 130.62 3gtl n PRO 69 Ca -0.19 -0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.02 3gtl n PRO 69 Cb 0.49 -1.43 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 3gtl n PRO 69 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gtl s ARG 70 N -2.84 0.14 0.51 0.54 0.52 -1.26 -3.76 118.95 112.80 3gtl s ARG 70 Ca 0.48 0.61 0.03 0.00 -0.52 0.00 0.00 55.73 56.33 3gtl s ARG 70 Cb -0.13 -0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.23 3gtl s ARG 70 CO 0.71 -0.24 0.13 -1.54 0.02 0.00 0.00 175.30 174.39 3gtl s SER 71 N 1.91 4.29 -0.53 0.23 1.04 -1.26 -5.06 113.70 114.31 3gtl s SER 71 Ca -0.03 -1.49 -0.02 0.00 0.48 0.00 0.00 55.95 54.89 3gtl s SER 71 Cb -0.11 0.40 0.30 0.00 0.10 0.00 0.00 66.02 66.71 3gtl s SER 71 CO -0.08 -0.90 2.14 -0.90 0.98 0.00 0.00 173.24 174.48 3gtl n ASP 72 N -1.40 7.07 0.00 7.02 5.75 -1.26 -4.71 116.55 129.02 3gtl n ASP 72 Ca -0.13 -3.45 0.00 0.00 -0.01 0.00 0.00 54.79 51.21 3gtl n ASP 72 Cb 0.66 -1.06 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 3gtl n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gtl n ARG 73 N -0.15 1.90 0.00 0.11 5.12 -1.26 -5.08 116.66 117.29 3gtl n ARG 73 Ca 0.48 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 3gtl n ARG 73 Cb 0.56 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 3gtl n ARG 73 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 3gtl n GLU 74 N 0.00 0.00 -3.49 5.56 2.13 -1.26 -4.76 120.64 118.82 3gtl n GLU 74 Ca 0.00 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.44 3gtl n GLU 74 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 3gtl n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gtl n PRO 76 N 2.14 -0.10 0.14 0.00 -0.02 -1.26 -2.36 135.00 133.53 3gtl n PRO 76 Ca -0.13 0.54 -0.06 0.00 -2.02 0.00 0.00 63.50 61.83 3gtl n PRO 76 Cb 0.52 -0.80 -0.03 0.00 -0.02 0.00 0.00 33.50 33.18 3gtl n PRO 76 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3gtl h LYS 77 N 0.00 -0.35 0.00 -0.52 1.57 -1.98 -3.42 116.57 111.87 3gtl h LYS 77 Ca 0.04 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3gtl h LYS 77 Cb 0.09 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3gtl h LYS 77 CO -0.22 -0.24 0.00 0.00 -0.57 0.00 0.00 179.45 178.43 3gtl n HIS 79 N -1.73 0.00 -2.06 0.00 8.25 -1.00 -4.97 115.22 113.71 3gtl n HIS 79 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3gtl n HIS 79 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3gtl n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3gtl s SER 80 N -1.60 6.72 -0.16 0.41 1.04 -1.26 -4.70 113.70 114.14 3gtl s SER 80 Ca 0.00 2.52 -0.01 0.00 0.48 0.00 0.00 55.95 58.94 3gtl s SER 80 Cb 0.00 -2.60 0.07 0.00 0.10 0.00 0.00 66.02 63.59 3gtl s SER 80 CO 0.00 -0.70 2.20 0.54 0.98 0.00 0.00 173.24 176.26 3gtl n ARG 81 N 3.27 1.52 -4.87 4.02 1.74 -1.26 -4.05 116.66 117.02 3gtl n ARG 81 Ca 0.10 -0.90 -0.33 0.00 -0.77 0.00 0.00 57.85 55.96 3gtl n ARG 81 Cb 0.41 -1.42 -0.14 0.00 -1.02 0.00 0.00 32.46 30.29 3gtl n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3gtl s GLU 82 N -0.79 2.91 -0.19 5.56 0.41 -1.26 -4.73 118.70 120.62 3gtl s GLU 82 Ca 0.23 -0.71 -0.34 0.00 -0.41 0.00 0.00 54.97 53.74 3gtl s GLU 82 Cb 0.15 -2.48 0.14 0.00 -1.78 0.00 0.00 34.13 30.17 3gtl s GLU 82 CO -0.02 0.42 1.19 0.54 -0.49 0.00 0.00 175.26 176.91 3gtl s ASN 83 N -0.20 -0.15 -0.18 -0.19 6.03 -1.26 -3.12 114.94 115.87 3gtl s ASN 83 Ca 0.00 0.02 -0.05 0.00 -1.03 0.00 0.00 52.86 51.80 3gtl s ASN 83 Cb -0.13 0.15 0.09 0.00 -3.03 0.00 0.00 41.25 38.33 3gtl s ASN 83 CO 0.03 -0.24 0.35 0.54 -2.03 0.00 0.00 177.10 175.75 3gtl s VAL 84 N -2.33 -0.54 0.52 3.54 0.11 -1.12 -4.15 120.40 116.43 3gtl s VAL 84 Ca 0.09 0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.31 3gtl s VAL 84 Cb -0.01 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 3gtl s VAL 84 CO -0.05 0.03 0.17 0.72 -3.33 0.00 0.00 175.10 172.65 3gtl s PHE 85 N 2.52 1.81 0.00 1.54 -0.12 -1.25 -2.09 117.98 120.40 3gtl s PHE 85 Ca 0.03 -0.89 0.00 0.00 -0.05 0.00 0.00 56.93 56.02 3gtl s PHE 85 Cb -0.13 -1.75 0.00 0.00 -0.63 0.00 0.00 43.02 40.51 3gtl s PHE 85 CO -0.12 -0.05 0.00 1.97 -0.05 0.00 0.00 175.22 176.97 3gtl n PHE 86 N -1.46 0.00 -1.84 3.49 1.16 -1.23 -4.31 117.46 113.26 3gtl n PHE 86 Ca -0.11 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.18 3gtl n PHE 86 Cb 0.66 0.00 0.11 0.00 -1.61 0.00 0.00 39.48 38.64 3gtl n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3gtl s GLN 87 N -2.00 1.67 -0.78 3.97 -0.21 -1.26 -2.88 119.66 118.17 3gtl s GLN 87 Ca 0.00 0.08 -0.31 0.00 0.02 0.00 0.00 55.36 55.14 3gtl s GLN 87 Cb 0.00 -1.92 -0.17 0.00 1.00 0.00 0.00 33.01 31.92 3gtl s GLN 87 CO 0.00 -1.79 2.54 0.45 -2.12 0.00 0.00 175.29 174.37 3gtl n SER 88 N -3.45 0.96 0.00 5.90 2.88 -1.25 -4.73 113.62 113.94 3gtl n SER 88 Ca 0.09 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 3gtl n SER 88 Cb 0.61 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 3gtl n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gtl n GLN 89 N 8.51 0.00 -2.61 -1.46 1.13 -1.20 -4.11 117.38 117.65 3gtl n GLN 89 Ca 0.56 0.08 -0.42 0.00 -1.94 0.00 0.00 57.00 55.28 3gtl n GLN 89 Cb 0.16 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.00 3gtl n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3gtl s GLN 90 N -2.12 3.85 -0.84 -1.09 0.74 -1.19 -4.89 119.66 114.13 3gtl s GLN 90 Ca 0.00 -1.74 -0.06 0.00 0.05 0.00 0.00 55.36 53.61 3gtl s GLN 90 Cb 0.00 -5.43 -0.10 0.00 1.10 0.00 0.00 33.01 28.58 3gtl s GLN 90 CO 0.00 -2.20 2.49 0.54 -0.55 0.00 0.00 175.29 175.57 3gtl n ARG 91 N 8.35 2.30 -0.90 1.67 5.12 -1.26 -4.86 116.66 127.08 3gtl n ARG 91 Ca 0.42 -1.43 -0.07 0.00 -1.93 0.00 0.00 57.85 54.83 3gtl n ARG 91 Cb 0.48 -2.37 0.05 0.00 -1.16 0.00 0.00 32.46 29.45 3gtl n ARG 91 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3gtl n ARG 92 N 3.62 0.06 0.01 5.56 0.63 -1.26 -5.04 116.66 120.24 3gtl n ARG 92 Ca 0.49 -0.70 0.11 0.00 -0.92 0.00 0.00 57.85 56.83 3gtl n ARG 92 Cb 0.30 -0.28 -0.09 0.00 0.45 0.00 0.00 32.46 32.84 3gtl n ARG 92 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3gtl n LYS 93 N -1.66 0.40 -1.67 -0.14 5.02 -1.26 -4.50 118.16 114.36 3gtl n LYS 93 Ca 0.05 -0.07 -0.01 0.00 -2.02 0.00 0.00 58.31 56.25 3gtl n LYS 93 Cb 0.17 -1.56 0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3gtl n LYS 93 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3gtl n ASP 94 N -2.04 1.95 -4.90 4.39 3.85 -1.26 -5.09 116.55 113.45 3gtl n ASP 94 Ca -0.00 -2.77 -0.28 0.00 -0.71 0.00 0.00 54.79 51.03 3gtl n ASP 94 Cb 0.48 -0.41 0.04 0.00 -1.35 0.00 0.00 41.12 39.88 3gtl n ASP 94 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3gtl s THR 95 N -2.44 3.60 0.86 2.12 2.01 -1.26 -5.08 115.64 115.44 3gtl s THR 95 Ca 0.36 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.45 3gtl s THR 95 Cb 0.37 -3.47 0.15 0.00 0.01 0.00 0.00 72.50 69.56 3gtl s THR 95 CO -0.08 -0.54 1.21 -0.94 -0.69 0.00 0.00 174.62 173.58 3gtl s SER 96 N -4.33 3.79 -0.55 3.53 1.04 -1.26 -5.00 113.70 110.93 3gtl s SER 96 Ca 0.56 0.32 0.01 0.00 0.48 0.00 0.00 55.95 57.31 3gtl s SER 96 Cb -0.11 -0.58 0.45 0.00 0.10 0.00 0.00 66.02 65.88 3gtl s SER 96 CO 0.48 -2.30 1.75 0.23 0.98 0.00 0.00 173.24 174.38 3gtl n MET 97 N -3.44 3.01 -2.37 4.02 2.81 -1.26 -4.66 117.12 115.22 3gtl n MET 97 Ca 0.13 -3.60 -0.33 0.00 -1.81 0.00 0.00 57.70 52.08 3gtl n MET 97 Cb 0.60 -2.29 -0.02 0.00 -0.71 0.00 0.00 33.22 30.80 3gtl n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3gtl s VAL 98 N -4.78 3.87 -0.14 2.03 1.01 -1.26 -4.98 120.40 116.15 3gtl s VAL 98 Ca 0.60 1.05 -0.06 0.00 0.00 0.00 0.00 61.98 63.56 3gtl s VAL 98 Cb 0.47 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3gtl s VAL 98 CO -0.01 -0.37 0.07 -0.76 0.00 0.00 0.00 175.10 174.03 3gtl s LEU 99 N -3.87 3.94 -0.31 3.92 1.43 -1.26 -3.82 118.68 118.71 3gtl s LEU 99 Ca 0.65 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 3gtl s LEU 99 Cb -0.15 -1.97 0.07 0.00 0.03 0.00 0.00 46.19 44.17 3gtl s LEU 99 CO 0.26 0.29 0.00 -0.36 0.23 0.00 0.00 176.35 176.77 3gtl s PHE 100 N -0.30 3.43 0.02 0.29 0.40 -1.14 -1.43 117.98 119.25 3gtl s PHE 100 Ca 0.09 -2.36 -0.20 0.00 -0.60 0.00 0.00 56.93 53.86 3gtl s PHE 100 Cb -0.12 -2.39 -0.06 0.00 0.51 0.00 0.00 43.02 40.97 3gtl s PHE 100 CO 0.01 -0.89 0.58 -0.06 0.70 0.00 0.00 175.22 175.57 3gtl s PHE 101 N 1.11 3.72 -0.38 0.36 0.40 0.24 -3.55 117.98 119.88 3gtl s PHE 101 Ca -0.01 1.21 0.01 0.00 -0.60 0.00 0.00 56.93 57.54 3gtl s PHE 101 Cb -0.20 -2.56 0.11 0.00 0.51 0.00 0.00 43.02 40.88 3gtl s PHE 101 CO -0.04 0.44 0.14 0.08 0.70 0.00 0.00 175.22 176.53 3gtl s VAL 102 N -0.52 2.79 0.80 -0.44 1.01 -0.89 -0.91 120.40 122.26 3gtl s VAL 102 Ca 0.30 -2.26 -0.14 0.00 0.00 0.00 0.00 61.98 59.89 3gtl s VAL 102 Cb -0.19 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.30 3gtl s VAL 102 CO 0.18 -0.66 1.16 0.00 0.00 0.00 0.00 175.10 175.78 3gtl n LEU 104 N -3.09 1.20 0.09 0.00 4.77 -1.18 -3.13 117.00 115.65 3gtl n LEU 104 Ca 0.13 0.24 -0.05 0.00 -0.03 0.00 0.00 56.01 56.31 3gtl n LEU 104 Cb 0.50 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3gtl n LEU 104 CO 0.48 0.55 0.27 0.28 -1.33 0.00 0.00 177.39 177.64 3gtl h SER 105 N 0.01 0.00 0.00 -1.43 0.02 -1.93 -3.34 113.55 106.88 3gtl h SER 105 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3gtl h SER 105 Cb 2.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.60 3gtl h SER 105 CO 0.06 0.85 -0.06 0.00 -1.14 0.00 0.00 176.83 176.54 3gtl n SER 107 N -0.93 0.08 -4.45 0.00 7.64 -1.18 -4.81 113.62 109.98 3gtl n SER 107 Ca 0.09 -0.37 -0.40 0.00 1.01 0.00 0.00 58.87 59.19 3gtl n SER 107 Cb 0.53 -0.47 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 3gtl n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3gtl s HIS 108 N -2.98 3.22 -0.22 1.43 5.65 -1.25 -4.88 115.29 116.27 3gtl s HIS 108 Ca 0.06 -0.59 -0.24 0.00 0.25 0.00 0.00 55.06 54.54 3gtl s HIS 108 Cb -0.04 -2.45 -0.01 0.00 -1.18 0.00 0.00 32.58 28.90 3gtl s HIS 108 CO 0.30 -0.51 0.80 0.42 -0.65 0.00 0.00 174.74 175.09 3gtl s ILE 109 N 1.64 4.88 0.18 0.89 1.09 -1.26 -2.85 121.20 125.76 3gtl s ILE 109 Ca 0.04 1.52 -0.01 0.00 -1.10 0.00 0.00 60.65 61.11 3gtl s ILE 109 Cb -0.18 -4.09 -0.04 0.00 -1.06 0.00 0.00 42.46 37.08 3gtl s ILE 109 CO 0.08 -0.02 0.09 0.72 -0.10 0.00 0.00 174.94 175.72 3gtl s PHE 110 N 2.50 1.10 0.18 3.97 -0.12 -0.08 -4.99 117.98 120.54 3gtl s PHE 110 Ca 0.35 -1.28 0.00 0.00 -0.05 0.00 0.00 56.93 55.95 3gtl s PHE 110 Cb -0.16 -0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 3gtl s PHE 110 CO 0.09 -0.53 0.06 0.99 -0.05 0.00 0.00 175.22 175.77 3gtl s THR 111 N -4.04 0.39 -0.95 -4.49 2.01 -1.26 0.80 115.64 108.09 3gtl s THR 111 Ca 0.33 -1.97 0.23 0.00 0.31 0.00 0.00 61.69 60.59 3gtl s THR 111 Cb 0.07 -2.26 -0.09 0.00 0.01 0.00 0.00 72.50 70.24 3gtl s THR 111 CO 0.08 -0.31 1.20 -1.54 -0.69 0.00 0.00 174.62 173.36 3gtl n SER 112 N -0.25 0.68 -4.55 3.53 3.41 -0.51 -4.92 113.62 111.00 3gtl n SER 112 Ca -0.04 -0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 57.78 3gtl n SER 112 Cb 0.64 0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 65.12 3gtl n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gtl s ASP 113 N -3.11 4.35 0.00 4.04 -1.08 -1.26 -4.83 116.67 114.77 3gtl s ASP 113 Ca 0.09 0.72 0.26 0.00 -0.52 0.00 0.00 52.55 53.10 3gtl s ASP 113 Cb 0.17 -2.52 1.38 0.00 -1.46 0.00 0.00 42.92 40.49 3gtl s ASP 113 CO 0.77 -3.12 1.91 0.00 0.52 0.00 0.00 175.17 175.24 3gtl n GLN 114 N 8.97 0.47 -0.08 4.34 6.02 -1.26 -3.84 117.38 132.00 3gtl n GLN 114 Ca 0.39 0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 57.31 3gtl n GLN 114 Cb 0.51 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.18 3gtl n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gtl n LYS 115 N -1.23 1.09 -4.55 -1.09 5.02 -1.26 -5.05 118.16 111.09 3gtl n LYS 115 Ca 0.14 0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 56.15 3gtl n LYS 115 Cb 0.19 -1.34 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 3gtl n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3gtl s ASN 116 N -5.17 4.59 0.70 4.39 0.01 -1.25 -5.11 114.94 113.10 3gtl s ASN 116 Ca -0.15 -0.10 -0.15 0.00 -0.71 0.00 0.00 52.86 51.74 3gtl s ASN 116 Cb 0.05 -1.09 0.02 0.00 0.41 0.00 0.00 41.25 40.64 3gtl s ASN 116 CO 0.47 0.32 1.17 -0.54 -1.51 0.00 0.00 177.10 177.01 3gtl s LYS 117 N -1.14 2.41 -0.02 -0.60 1.02 -1.26 -4.90 119.74 115.24 3gtl s LYS 117 Ca 0.15 1.65 0.01 0.00 0.02 0.00 0.00 55.97 57.79 3gtl s LYS 117 Cb -0.11 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.33 3gtl s LYS 117 CO 0.05 -1.60 -0.03 1.03 -0.92 0.00 0.00 175.35 173.88 3gtl s ARG 118 N -3.92 0.38 0.00 1.68 1.81 -1.26 -4.99 118.95 112.65 3gtl s ARG 118 Ca 0.72 -0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.67 3gtl s ARG 118 Cb -0.26 -0.44 0.00 0.00 -0.45 0.00 0.00 34.95 33.80 3gtl s ARG 118 CO 0.43 -0.02 0.00 -2.37 -0.68 0.00 0.00 175.30 172.66 3gtl n THR 119 N 3.54 0.00 -0.60 0.02 5.66 -1.26 -5.17 114.28 116.47 3gtl n THR 119 Ca -0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 3gtl n THR 119 Cb 0.55 1.61 0.00 0.00 -1.55 0.00 0.00 70.33 70.94 3gtl n THR 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02