#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtm n ASN 2 N 0.00 0.97 -4.77 6.12 3.02 -1.26 -4.96 115.26 114.39 3gtm n ASN 2 Ca 0.00 -0.90 -0.40 0.00 -0.03 0.00 0.00 54.58 53.25 3gtm n ASN 2 Cb 0.00 0.83 0.01 0.00 -0.61 0.00 0.00 39.78 40.01 3gtm n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gtm s ALA 3 N -2.97 3.37 1.28 5.41 0.00 -1.26 -4.98 121.76 122.61 3gtm s ALA 3 Ca 0.09 1.51 -0.18 0.00 0.00 0.00 0.00 51.96 53.39 3gtm s ALA 3 Cb 0.16 -3.60 0.32 0.00 0.00 0.00 0.00 23.12 20.00 3gtm s ALA 3 CO 0.82 -1.14 1.00 -1.25 0.00 0.00 0.00 175.76 175.18 3gtm s PRO 4 N -2.31 -1.79 0.31 0.00 0.04 -1.26 -4.97 135.00 125.02 3gtm s PRO 4 Ca 0.58 0.41 -0.28 0.00 0.04 0.00 0.00 61.00 61.76 3gtm s PRO 4 Cb -0.45 -1.49 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 3gtm s PRO 4 CO 0.59 -4.19 1.04 -0.51 0.04 0.00 0.00 177.00 173.97 3gtm s ASP 5 N -2.97 7.20 0.56 6.66 1.01 -1.26 -4.93 116.67 122.94 3gtm s ASP 5 Ca 0.69 2.10 0.30 0.00 0.71 0.00 0.00 52.55 56.34 3gtm s ASP 5 Cb -0.18 -2.61 1.46 0.00 1.01 0.00 0.00 42.92 42.60 3gtm s ASP 5 CO 0.61 -0.18 1.89 0.03 0.21 0.00 0.00 175.17 177.72 3gtm h ARG 6 N 3.42 0.00 0.00 8.23 2.47 -2.05 -1.34 114.38 125.11 3gtm h ARG 6 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 3gtm h ARG 6 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3gtm h ARG 6 CO 0.66 0.00 -0.64 1.97 0.56 0.00 0.00 179.97 182.51 3gtm n PHE 7 N -3.99 0.00 0.44 3.04 1.16 -1.26 -4.04 117.46 112.81 3gtm n PHE 7 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.71 3gtm n PHE 7 Cb 0.82 -0.18 0.00 0.00 -1.61 0.00 0.00 39.48 38.51 3gtm n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3gtm n GLU 8 N -1.50 0.30 -0.06 3.97 1.02 -0.50 -1.45 120.64 122.41 3gtm n GLU 8 Ca 0.05 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.00 3gtm n GLU 8 Cb 0.33 -1.07 -0.13 0.00 -0.02 0.00 0.00 31.44 30.55 3gtm n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gtm n LEU 9 N -0.08 2.64 -0.00 -4.62 4.77 -1.26 -4.72 117.00 113.74 3gtm n LEU 9 Ca 0.00 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 3gtm n LEU 9 Cb 0.04 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.21 3gtm n LEU 9 CO 0.00 0.87 -0.34 2.22 -1.33 0.00 0.00 177.39 178.81 3gtm n PHE 10 N -3.33 0.00 -3.39 -1.77 1.16 -0.57 -4.32 117.46 105.23 3gtm n PHE 10 Ca -0.38 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 54.86 3gtm n PHE 10 Cb 1.02 -0.02 -0.06 0.00 -1.61 0.00 0.00 39.48 38.82 3gtm n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3gtm s LEU 11 N -2.72 4.26 0.00 5.98 2.01 -0.53 -4.94 118.68 122.73 3gtm s LEU 11 Ca -0.00 1.00 -0.07 0.00 0.01 0.00 0.00 54.13 55.06 3gtm s LEU 11 Cb 0.01 -3.46 0.14 0.00 0.01 0.00 0.00 46.19 42.88 3gtm s LEU 11 CO 0.04 0.02 0.84 0.18 1.01 0.00 0.00 176.35 178.45 3gtm n LEU 12 N 0.36 0.00 0.00 1.79 4.32 -1.26 -4.71 117.00 117.50 3gtm n LEU 12 Ca -0.03 -1.19 0.00 0.00 -0.02 0.00 0.00 56.01 54.78 3gtm n LEU 12 Cb 0.52 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 3gtm n LEU 12 CO 0.44 -1.05 0.00 0.61 -1.22 0.00 0.00 177.39 176.17 3gtm n GLY 13 N -0.81 1.83 3.38 -0.72 0.00 -1.26 -5.04 105.19 102.57 3gtm n GLY 13 Ca 0.12 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3gtm n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gtm s GLU 14 N 4.15 2.85 -1.22 1.61 2.02 -1.26 -4.57 118.70 122.29 3gtm s GLU 14 Ca 0.00 -1.17 -0.06 0.00 0.02 0.00 0.00 54.97 53.76 3gtm s GLU 14 Cb 0.00 -3.88 0.01 0.00 0.10 0.00 0.00 34.13 30.36 3gtm s GLU 14 CO 0.00 -0.81 0.73 0.41 0.02 0.00 0.00 175.26 175.61 3gtm n GLY 15 N 5.06 -0.31 3.52 -1.39 0.00 -1.26 -4.98 105.19 105.84 3gtm n GLY 15 Ca -0.11 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3gtm n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gtm s GLU 16 N -5.78 3.37 0.30 1.61 2.02 -1.26 -5.06 118.70 113.90 3gtm s GLU 16 Ca 0.36 -0.40 -0.29 0.00 0.02 0.00 0.00 54.97 54.66 3gtm s GLU 16 Cb -0.16 -3.90 -0.10 0.00 0.10 0.00 0.00 34.13 30.07 3gtm s GLU 16 CO 0.45 -0.82 1.19 0.45 0.02 0.00 0.00 175.26 176.55 3gtm s SER 17 N 1.85 7.07 0.32 -0.19 0.15 -1.26 -4.81 113.70 116.82 3gtm s SER 17 Ca 0.18 2.43 0.06 0.00 0.70 0.00 0.00 55.95 59.33 3gtm s SER 17 Cb -0.15 -2.63 0.73 0.00 -1.71 0.00 0.00 66.02 62.25 3gtm s SER 17 CO 0.15 -0.31 1.83 0.11 1.20 0.00 0.00 173.24 176.22 3gtm h LYS 18 N 3.71 0.77 -5.10 5.44 1.79 -1.94 -3.41 116.57 117.84 3gtm h LYS 18 Ca -0.47 -0.05 -0.50 0.00 -2.18 0.00 0.00 60.65 57.45 3gtm h LYS 18 Cb 1.22 -0.17 -0.30 0.00 -1.58 0.00 0.00 32.23 31.39 3gtm h LYS 18 CO 0.67 0.51 -0.81 -0.51 -1.08 0.00 0.00 179.45 178.22 3gtm s LEU 19 N -10.07 1.91 -0.18 2.94 1.43 -1.26 -1.80 118.68 111.65 3gtm s LEU 19 Ca -0.11 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3gtm s LEU 19 Cb 0.23 -0.77 0.02 0.00 0.03 0.00 0.00 46.19 45.70 3gtm s LEU 19 CO 0.80 0.13 -0.19 -0.75 0.23 0.00 0.00 176.35 176.58 3gtm s LYS 20 N -0.03 3.03 -0.30 1.70 2.20 -1.06 -4.98 119.74 120.29 3gtm s LYS 20 Ca -0.01 -0.81 -0.06 0.00 -0.36 0.00 0.00 55.97 54.73 3gtm s LYS 20 Cb -0.09 -2.60 0.02 0.00 -1.51 0.00 0.00 37.83 33.65 3gtm s LYS 20 CO 0.01 -0.18 0.08 0.42 -0.36 0.00 0.00 175.35 175.31 3gtm s ILE 21 N 1.25 3.87 0.06 5.43 1.01 -1.26 -1.86 121.20 129.69 3gtm s ILE 21 Ca 0.04 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.97 3gtm s ILE 21 Cb -0.13 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3gtm s ILE 21 CO -0.11 0.03 -0.23 -1.81 0.00 0.00 0.00 174.94 172.83 3gtm s ASP 22 N 1.47 2.78 0.03 3.58 1.01 -1.25 -5.03 116.67 119.25 3gtm s ASP 22 Ca 0.02 -0.58 -0.28 0.00 0.71 0.00 0.00 52.55 52.42 3gtm s ASP 22 Cb -0.18 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.48 3gtm s ASP 22 CO 0.02 0.18 0.89 -2.84 0.21 0.00 0.00 175.17 173.64 3gtm s PRO 23 N -1.34 4.57 -0.23 8.23 0.02 -1.26 -1.63 135.00 143.35 3gtm s PRO 23 Ca 0.09 1.28 -0.29 0.00 0.02 0.00 0.00 61.00 62.10 3gtm s PRO 23 Cb -0.09 -3.42 -0.02 0.00 0.02 0.00 0.00 34.50 30.99 3gtm s PRO 23 CO 0.02 0.10 1.51 0.34 -0.33 0.00 0.00 177.00 178.64 3gtm s ASP 24 N 0.51 6.51 0.42 2.53 -1.08 -0.04 -4.86 116.67 120.67 3gtm s ASP 24 Ca 0.46 1.55 0.23 0.00 -0.52 0.00 0.00 52.55 54.27 3gtm s ASP 24 Cb -0.21 -2.53 0.80 0.00 -1.46 0.00 0.00 42.92 39.51 3gtm s ASP 24 CO 0.26 -1.16 1.77 0.71 0.52 0.00 0.00 175.17 177.28 3gtm h THR 25 N 6.02 0.60 0.00 1.71 1.35 -1.94 -3.30 112.91 117.35 3gtm h THR 25 Ca -0.32 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 3gtm h THR 25 Cb 1.14 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3gtm h THR 25 CO 1.00 0.26 0.00 0.11 -0.25 0.00 0.00 175.52 176.64 3gtm h LYS 26 N 0.00 0.00 -4.14 4.72 1.57 -1.96 -3.45 116.57 113.30 3gtm h LYS 26 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 3gtm h LYS 26 Cb 0.83 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.00 3gtm h LYS 26 CO 0.03 0.00 -0.47 0.00 -0.57 0.00 0.00 179.45 178.45 3gtm s ALA 27 N -3.40 0.42 0.13 3.86 0.00 -1.24 -5.15 121.76 116.38 3gtm s ALA 27 Ca 0.05 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.58 3gtm s ALA 27 Cb 0.09 0.91 -0.07 0.00 0.00 0.00 0.00 23.12 24.04 3gtm s ALA 27 CO 0.54 -0.59 0.77 -1.25 0.00 0.00 0.00 175.76 175.24 3gtm s PRO 28 N -4.02 4.54 -0.98 0.00 0.04 -1.26 -4.28 135.00 129.05 3gtm s PRO 28 Ca 0.22 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 3gtm s PRO 28 Cb 0.05 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.30 3gtm s PRO 28 CO 0.02 0.49 0.82 -1.71 0.04 0.00 0.00 177.00 176.66 3gtm n ASN 29 N 1.94 -2.04 -3.95 6.66 2.85 -1.26 -4.77 115.26 114.68 3gtm n ASN 29 Ca -0.05 -0.51 -0.16 0.00 -0.11 0.00 0.00 54.58 53.75 3gtm n ASN 29 Cb 0.49 -4.28 -0.15 0.00 1.24 0.00 0.00 39.78 37.09 3gtm n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gtm s ALA 30 N -3.29 0.47 -0.00 5.20 0.00 -1.26 -2.67 121.76 120.21 3gtm s ALA 30 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.78 3gtm s ALA 30 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3gtm s ALA 30 CO 0.60 0.10 -0.09 0.08 0.00 0.00 0.00 175.76 176.44 3gtm s VAL 31 N -0.01 0.70 -0.77 0.00 1.01 -0.78 -0.86 120.40 119.69 3gtm s VAL 31 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 3gtm s VAL 31 Cb -0.04 -0.60 0.20 0.00 0.00 0.00 0.00 36.38 35.94 3gtm s VAL 31 CO -0.00 0.17 0.63 -0.69 0.00 0.00 0.00 175.10 175.21 3gtm s VAL 32 N -0.27 4.29 -0.11 2.92 1.01 -0.65 -1.74 120.40 125.85 3gtm s VAL 32 Ca 0.03 -3.25 -0.30 0.00 0.00 0.00 0.00 61.98 58.46 3gtm s VAL 32 Cb -0.04 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3gtm s VAL 32 CO -0.00 -0.99 1.16 -0.63 0.00 0.00 0.00 175.10 174.64 3gtm s ILE 33 N -0.56 4.40 -0.40 2.22 1.01 0.16 -3.96 121.20 124.06 3gtm s ILE 33 Ca 0.21 1.71 -0.08 0.00 0.00 0.00 0.00 60.65 62.49 3gtm s ILE 33 Cb -0.14 -4.10 0.07 0.00 0.01 0.00 0.00 42.46 38.31 3gtm s ILE 33 CO -0.08 -0.05 0.23 -0.89 0.00 0.00 0.00 174.94 174.15 3gtm s THR 34 N 2.58 4.08 0.57 2.92 2.01 -0.78 0.81 115.64 127.84 3gtm s THR 34 Ca 0.53 -1.39 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 3gtm s THR 34 Cb -0.22 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3gtm s THR 34 CO 0.18 -0.45 1.06 -0.36 -0.69 0.00 0.00 174.62 174.36 3gtm s PHE 35 N 1.40 2.93 0.07 4.92 0.40 -0.48 -2.57 117.98 124.66 3gtm s PHE 35 Ca 0.02 1.53 0.09 0.00 -0.60 0.00 0.00 56.93 57.98 3gtm s PHE 35 Cb -0.22 -3.06 -0.03 0.00 0.51 0.00 0.00 43.02 40.21 3gtm s PHE 35 CO 0.02 -1.14 -0.22 -1.21 0.70 0.00 0.00 175.22 173.37 3gtm s GLU 36 N -3.79 1.80 -1.37 0.44 0.41 -0.75 -3.05 118.70 112.40 3gtm s GLU 36 Ca 0.66 -1.13 -0.04 0.00 -0.41 0.00 0.00 54.97 54.04 3gtm s GLU 36 Cb -0.17 -2.06 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 3gtm s GLU 36 CO 0.32 0.50 0.44 1.63 -0.49 0.00 0.00 175.26 177.66 3gtm n LYS 37 N 1.35 -2.66 -4.22 1.61 4.76 -0.04 -4.98 118.16 113.98 3gtm n LYS 37 Ca -0.17 0.37 -0.14 0.00 -2.87 0.00 0.00 58.31 55.50 3gtm n LYS 37 Cb 0.52 -4.29 -0.09 0.00 -1.84 0.00 0.00 35.03 29.33 3gtm n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gtm s GLU 38 N -6.59 1.39 0.00 1.97 0.41 -0.90 -4.69 118.70 110.28 3gtm s GLU 38 Ca 0.09 -1.75 0.00 0.00 -0.41 0.00 0.00 54.97 52.89 3gtm s GLU 38 Cb -0.04 0.29 0.00 0.00 -1.78 0.00 0.00 34.13 32.60 3gtm s GLU 38 CO 0.90 -0.48 0.00 -0.40 -0.49 0.00 0.00 175.26 174.79 3gtm n ASP 39 N -0.69 0.00 0.15 -0.19 5.75 -1.26 -3.62 116.55 116.68 3gtm n ASP 39 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.84 3gtm n ASP 39 Cb 0.65 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.92 3gtm n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gtm h HIS 40 N 0.00 0.00 -0.80 2.11 3.86 -1.97 -0.90 115.15 117.45 3gtm h HIS 40 Ca 0.00 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.35 3gtm h HIS 40 Cb 0.00 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 3gtm h HIS 40 CO 0.00 0.53 0.53 1.15 0.86 0.00 0.00 177.93 181.00 3gtm h THR 41 N 0.00 0.83 0.00 2.45 2.02 -2.01 -2.93 112.91 113.27 3gtm h THR 41 Ca -0.01 -0.19 -0.37 0.00 0.77 0.00 0.00 66.41 66.61 3gtm h THR 41 Cb 1.14 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3gtm h THR 41 CO 0.07 0.10 -2.26 -0.11 0.37 0.00 0.00 175.52 173.69 3gtm n LEU 42 N -4.51 1.87 -0.14 2.58 7.94 -1.18 -4.43 117.00 119.13 3gtm n LEU 42 Ca 0.15 0.20 -0.04 0.00 -1.11 0.00 0.00 56.01 55.22 3gtm n LEU 42 Cb 0.48 -0.68 0.03 0.00 0.53 0.00 0.00 43.42 43.77 3gtm n LEU 42 CO 0.31 0.55 0.78 1.23 -1.11 0.00 0.00 177.39 179.15 3gtm h GLY 43 N -0.34 0.34 0.89 -3.96 0.00 -1.19 -2.12 103.07 96.67 3gtm h GLY 43 Ca -0.56 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3gtm h GLY 43 CO -0.30 -0.17 0.06 -0.57 0.00 0.00 0.00 176.54 175.56 3gtm h ASN 44 N 0.00 0.45 -0.77 0.19 -1.24 -1.75 -2.59 115.58 109.87 3gtm h ASN 44 Ca 0.22 -0.25 0.06 0.00 0.71 0.00 0.00 56.30 57.05 3gtm h ASN 44 Cb 0.34 -0.12 -0.06 0.00 0.73 0.00 0.00 38.32 39.21 3gtm h ASN 44 CO -0.47 0.58 0.46 0.25 -1.29 0.00 0.00 177.43 176.96 3gtm h LEU 45 N 0.30 0.70 -0.09 0.34 5.85 -1.70 -1.49 115.31 119.22 3gtm h LEU 45 Ca 0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3gtm h LEU 45 Cb 0.32 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3gtm h LEU 45 CO 0.00 0.45 0.03 0.40 -0.34 0.00 0.00 178.44 178.98 3gtm h ILE 46 N 0.83 1.19 -0.32 4.05 2.04 -1.31 -2.99 117.51 120.99 3gtm h ILE 46 Ca 0.34 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3gtm h ILE 46 Cb 0.18 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3gtm h ILE 46 CO -0.18 0.16 0.11 -0.09 0.00 0.00 0.00 178.15 178.15 3gtm h ARG 47 N -0.05 0.50 0.00 2.37 1.12 -1.15 0.58 114.38 117.75 3gtm h ARG 47 Ca 0.03 -0.10 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 3gtm h ARG 47 Cb 0.24 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.12 3gtm h ARG 47 CO -0.00 0.53 0.00 0.00 -3.11 0.00 0.00 179.97 177.39 3gtm n ALA 48 N -2.30 2.40 -0.01 2.80 0.00 -0.59 -1.82 120.51 120.99 3gtm n ALA 48 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 3gtm n ALA 48 Cb 0.16 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 3gtm n ALA 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gtm n GLU 49 N -0.70 2.55 0.00 0.00 -0.58 -0.96 -4.47 120.64 116.48 3gtm n GLU 49 Ca 0.08 -0.01 0.07 0.00 -0.42 0.00 0.00 57.16 56.88 3gtm n GLU 49 Cb 0.04 -1.06 0.40 0.00 -0.57 0.00 0.00 31.44 30.25 3gtm n GLU 49 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3gtm n LEU 50 N -1.93 0.00 -0.00 -4.62 0.00 0.20 -3.04 117.00 107.60 3gtm n LEU 50 Ca -0.03 0.06 0.07 0.00 0.00 0.00 0.00 56.01 56.11 3gtm n LEU 50 Cb 0.42 -0.06 -0.09 0.00 0.00 0.00 0.00 43.42 43.69 3gtm n LEU 50 CO 0.05 -0.03 -0.16 -0.11 0.00 0.00 0.00 177.39 177.13 3gtm n LEU 51 N -1.06 0.55 0.01 -1.96 7.94 -0.91 -4.35 117.00 117.21 3gtm n LEU 51 Ca 0.10 -0.40 0.12 0.00 -1.11 0.00 0.00 56.01 54.71 3gtm n LEU 51 Cb 0.06 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.19 3gtm n LEU 51 CO 0.08 0.14 0.35 0.59 -1.11 0.00 0.00 177.39 177.44 3gtm n ASN 52 N -1.48 0.58 -4.58 1.96 3.02 -1.17 -4.74 115.26 108.86 3gtm n ASN 52 Ca 0.02 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.84 3gtm n ASN 52 Cb 0.26 0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 39.78 3gtm n ASN 52 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gtm s ASP 53 N -3.17 6.18 0.00 6.41 2.15 -1.26 -4.85 116.67 122.13 3gtm s ASP 53 Ca 0.10 0.28 0.03 0.00 0.43 0.00 0.00 52.55 53.38 3gtm s ASP 53 Cb 0.17 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.40 3gtm s ASP 53 CO 0.73 -1.67 0.48 0.54 -0.17 0.00 0.00 175.17 175.08 3gtm n ARG 54 N 8.62 0.16 -0.17 4.34 1.74 -1.26 0.24 116.66 130.32 3gtm n ARG 54 Ca 0.12 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.29 3gtm n ARG 54 Cb 0.49 -1.27 0.18 0.00 -1.02 0.00 0.00 32.46 30.84 3gtm n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3gtm n LYS 55 N -0.77 2.27 -3.55 5.56 4.76 -1.26 -4.93 118.16 120.24 3gtm n LYS 55 Ca 0.02 -2.06 -0.37 0.00 -2.87 0.00 0.00 58.31 53.03 3gtm n LYS 55 Cb 0.01 -1.40 -0.09 0.00 -1.84 0.00 0.00 35.03 31.71 3gtm n LYS 55 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gtm s VAL 56 N -1.21 5.29 -0.09 -0.18 1.01 0.14 -2.77 120.40 122.58 3gtm s VAL 56 Ca 0.31 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.77 3gtm s VAL 56 Cb 0.18 -3.60 -0.24 0.00 0.00 0.00 0.00 36.38 32.72 3gtm s VAL 56 CO 0.24 0.31 0.47 0.18 0.00 0.00 0.00 175.10 176.31 3gtm n LEU 57 N 4.32 1.44 -3.72 3.92 4.77 0.36 -4.98 117.00 123.11 3gtm n LEU 57 Ca -0.12 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 3gtm n LEU 57 Cb 0.52 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3gtm n LEU 57 CO 0.37 0.57 0.10 0.12 -1.33 0.00 0.00 177.39 177.22 3gtm s PHE 58 N -2.57 -0.33 -0.30 -1.77 5.36 -1.07 -4.95 117.98 112.35 3gtm s PHE 58 Ca -0.12 0.63 -0.12 0.00 -0.96 0.00 0.00 56.93 56.36 3gtm s PHE 58 Cb 0.07 0.16 0.15 0.00 -0.34 0.00 0.00 43.02 43.06 3gtm s PHE 58 CO 0.80 -0.38 0.79 0.00 -1.46 0.00 0.00 175.22 174.97 3gtm s ALA 59 N -0.88 -2.34 -0.21 11.12 0.00 -1.25 -2.12 121.76 126.09 3gtm s ALA 59 Ca -0.09 2.21 -0.27 0.00 0.00 0.00 0.00 51.96 53.80 3gtm s ALA 59 Cb -0.04 -1.91 0.10 0.00 0.00 0.00 0.00 23.12 21.27 3gtm s ALA 59 CO 0.04 -0.96 0.86 0.00 0.00 0.00 0.00 175.76 175.70 3gtm s ALA 60 N 2.72 -1.86 0.28 0.00 0.00 -1.01 -4.99 121.76 116.89 3gtm s ALA 60 Ca -0.04 1.76 0.07 0.00 0.00 0.00 0.00 51.96 53.76 3gtm s ALA 60 Cb -0.10 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.02 3gtm s ALA 60 CO -0.18 -0.31 -0.07 1.52 0.00 0.00 0.00 175.76 176.72 3gtm s TYR 61 N -0.23 1.98 -0.29 0.00 -0.85 -1.26 -0.68 117.35 116.02 3gtm s TYR 61 Ca -0.02 -0.67 -0.15 0.00 -0.52 0.00 0.00 57.07 55.72 3gtm s TYR 61 Cb -0.03 -1.12 0.11 0.00 0.38 0.00 0.00 41.96 41.31 3gtm s TYR 61 CO 0.01 0.31 0.79 -1.59 -1.52 0.00 0.00 175.55 173.55 3gtm s LYS 62 N -3.71 0.56 -0.55 -3.49 -2.85 -0.86 -5.00 119.74 103.84 3gtm s LYS 62 Ca 0.29 1.07 -0.27 0.00 -1.00 0.00 0.00 55.97 56.07 3gtm s LYS 62 Cb 0.03 0.28 0.03 0.00 -2.06 0.00 0.00 37.83 36.12 3gtm s LYS 62 CO 0.12 -0.14 1.11 0.14 0.10 0.00 0.00 175.35 176.68 3gtm s VAL 63 N 1.87 4.16 0.29 1.79 -7.23 -1.26 -2.84 120.40 117.18 3gtm s VAL 63 Ca -0.08 0.79 0.04 0.00 -1.81 0.00 0.00 61.98 60.91 3gtm s VAL 63 Cb -0.06 -4.64 0.28 0.00 0.56 0.00 0.00 36.38 32.52 3gtm s VAL 63 CO -0.18 -1.21 1.74 -0.33 -0.31 0.00 0.00 175.10 174.81 3gtm h GLU 64 N 9.41 0.55 -2.77 4.82 4.39 -1.94 -3.42 114.58 125.61 3gtm h GLU 64 Ca -0.25 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.30 3gtm h GLU 64 Cb 1.06 -0.12 -0.22 0.00 -0.10 0.00 0.00 28.75 29.37 3gtm h GLU 64 CO 1.14 0.36 -0.21 -1.58 -1.16 0.00 0.00 179.01 177.57 3gtm s HIS 65 N -5.88 -0.38 -0.21 4.33 2.46 -1.26 -5.07 115.29 109.28 3gtm s HIS 65 Ca -0.11 0.82 0.19 0.00 0.47 0.00 0.00 55.06 56.43 3gtm s HIS 65 Cb 0.25 0.16 0.29 0.00 -0.13 0.00 0.00 32.58 33.15 3gtm s HIS 65 CO 0.79 -0.31 1.56 -1.35 -2.47 0.00 0.00 174.74 172.95 3gtm h PRO 66 N 4.71 0.00 0.66 2.88 0.11 -1.98 -3.31 132.00 135.06 3gtm h PRO 66 Ca -0.28 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3gtm h PRO 66 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 3gtm h PRO 66 CO 0.31 0.28 -0.32 0.74 -0.21 0.00 0.00 178.00 178.81 3gtm h PHE 67 N 0.00 -0.82 -4.12 0.65 0.05 -1.99 -3.44 116.94 107.28 3gtm h PHE 67 Ca -0.00 -0.02 -0.49 0.00 3.82 0.00 0.00 57.97 61.28 3gtm h PHE 67 Cb 1.16 0.27 0.05 0.00 2.00 0.00 0.00 35.95 39.43 3gtm h PHE 67 CO 0.00 -0.51 0.40 -0.06 -0.18 0.00 0.00 178.31 177.96 3gtm s PHE 68 N -4.72 2.87 -0.95 -0.55 2.99 -1.25 -4.99 117.98 111.39 3gtm s PHE 68 Ca -0.13 1.55 -0.02 0.00 0.00 0.00 0.00 56.93 58.33 3gtm s PHE 68 Cb 0.01 -3.12 0.27 0.00 0.00 0.00 0.00 43.02 40.18 3gtm s PHE 68 CO 0.39 -1.17 1.08 0.00 -0.00 0.00 0.00 175.22 175.51 3gtm n ALA 69 N -1.42 4.42 -2.62 5.36 0.00 -1.26 -4.76 120.51 120.22 3gtm n ALA 69 Ca 0.10 -4.72 -0.13 0.00 0.00 0.00 0.00 53.44 48.69 3gtm n ALA 69 Cb 0.52 -1.89 -0.11 0.00 0.00 0.00 0.00 19.45 17.97 3gtm n ALA 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3gtm s ARG 70 N -2.10 0.69 -0.07 0.00 1.70 -1.24 -0.86 118.95 117.08 3gtm s ARG 70 Ca 0.32 -0.98 -0.03 0.00 -0.47 0.00 0.00 55.73 54.56 3gtm s ARG 70 Cb 0.01 -0.38 0.04 0.00 -0.57 0.00 0.00 34.95 34.05 3gtm s ARG 70 CO -0.01 0.06 0.15 -0.59 -1.08 0.00 0.00 175.30 173.82 3gtm s PHE 71 N -2.07 -0.17 0.07 5.89 -0.12 -1.17 -4.37 117.98 116.04 3gtm s PHE 71 Ca -0.01 0.50 -0.22 0.00 -0.05 0.00 0.00 56.93 57.15 3gtm s PHE 71 Cb -0.05 -0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.18 3gtm s PHE 71 CO -0.01 -0.18 0.66 0.15 -0.05 0.00 0.00 175.22 175.80 3gtm s LYS 72 N 1.27 4.37 -0.04 1.99 1.02 -1.13 -1.38 119.74 125.84 3gtm s LYS 72 Ca -0.08 0.90 0.06 0.00 0.02 0.00 0.00 55.97 56.86 3gtm s LYS 72 Cb -0.12 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3gtm s LYS 72 CO -0.06 0.49 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.47 3gtm s LEU 73 N -0.70 2.01 -0.07 3.17 2.96 0.24 -2.02 118.68 124.27 3gtm s LEU 73 Ca 0.33 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 3gtm s LEU 73 Cb -0.20 -1.20 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 3gtm s LEU 73 CO 0.21 0.22 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.64 3gtm s ARG 74 N -0.18 2.56 -0.05 1.98 3.52 0.15 0.36 118.95 127.29 3gtm s ARG 74 Ca -0.01 -0.81 0.01 0.00 -0.13 0.00 0.00 55.73 54.79 3gtm s ARG 74 Cb -0.12 -2.06 0.02 0.00 -1.56 0.00 0.00 34.95 31.23 3gtm s ARG 74 CO 0.02 0.24 -0.05 0.42 -0.81 0.00 0.00 175.30 175.13 3gtm s ILE 75 N 0.15 0.57 -0.09 4.11 1.01 -0.71 -2.40 121.20 123.83 3gtm s ILE 75 Ca -0.11 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.45 3gtm s ILE 75 Cb -0.15 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3gtm s ILE 75 CO 0.06 0.24 -0.23 -1.58 0.00 0.00 0.00 174.94 173.43 3gtm s GLN 76 N 1.01 2.89 0.07 2.79 0.74 -0.90 -1.87 119.66 124.38 3gtm s GLN 76 Ca -0.10 -0.83 0.05 0.00 0.05 0.00 0.00 55.36 54.53 3gtm s GLN 76 Cb -0.14 -2.20 -0.03 0.00 1.10 0.00 0.00 33.01 31.74 3gtm s GLN 76 CO -0.00 0.17 -0.13 0.95 -0.55 0.00 0.00 175.29 175.73 3gtm s THR 77 N 0.35 1.05 0.06 -0.34 -4.23 -1.09 -0.48 115.64 110.95 3gtm s THR 77 Ca -0.18 -1.26 -0.31 0.00 -1.18 0.00 0.00 61.69 58.75 3gtm s THR 77 Cb -0.18 -1.01 -0.10 0.00 1.34 0.00 0.00 72.50 72.55 3gtm s THR 77 CO 0.08 -0.23 1.89 0.41 -0.54 0.00 0.00 174.62 176.23 3gtm n THR 78 N 1.33 0.54 -0.99 3.99 -1.04 -1.12 -4.76 114.28 112.23 3gtm n THR 78 Ca -0.21 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.05 61.31 3gtm n THR 78 Cb 0.54 -2.13 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 3gtm n THR 78 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3gtm n GLU 79 N 6.44 0.00 -0.59 -2.82 2.13 -1.26 -2.96 120.64 121.59 3gtm n GLU 79 Ca 0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3gtm n GLU 79 Cb 0.37 -0.96 0.00 0.00 0.27 0.00 0.00 31.44 31.12 3gtm n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gtm n GLY 80 N 1.31 1.44 3.41 8.31 0.00 -1.26 -5.08 105.19 113.31 3gtm n GLY 80 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 3gtm n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gtm s TYR 81 N -2.05 -1.29 -0.14 1.61 6.04 -1.15 -5.13 117.35 115.22 3gtm s TYR 81 Ca 0.00 1.94 -0.29 0.00 0.04 0.00 0.00 57.07 58.76 3gtm s TYR 81 Cb 0.00 0.61 -0.02 0.00 -1.04 0.00 0.00 41.96 41.51 3gtm s TYR 81 CO 0.00 -0.70 1.31 0.34 -1.54 0.00 0.00 175.55 174.97 3gtm s ASP 82 N 2.82 6.91 0.53 4.32 2.15 -1.26 -4.68 116.67 127.47 3gtm s ASP 82 Ca 0.03 1.78 0.26 0.00 0.43 0.00 0.00 52.55 55.05 3gtm s ASP 82 Cb -0.13 -2.54 1.41 0.00 -0.30 0.00 0.00 42.92 41.36 3gtm s ASP 82 CO -0.18 -0.77 1.98 1.55 -0.17 0.00 0.00 175.17 177.58 3gtm h PRO 83 N 8.34 0.00 0.15 4.34 0.13 -1.91 -0.14 132.00 142.90 3gtm h PRO 83 Ca -0.29 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 3gtm h PRO 83 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3gtm h PRO 83 CO 0.96 0.00 -0.20 0.87 -0.23 0.00 0.00 178.00 179.41 3gtm h LYS 84 N 0.00 -0.38 -0.59 0.86 1.57 -1.97 -0.80 116.57 115.26 3gtm h LYS 84 Ca 0.27 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 3gtm h LYS 84 Cb 1.08 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3gtm h LYS 84 CO -0.00 -0.25 0.39 -0.44 -0.57 0.00 0.00 179.45 178.57 3gtm h ASP 85 N -0.39 0.59 -0.86 0.86 3.32 -1.47 0.18 116.42 118.65 3gtm h ASP 85 Ca 0.01 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.15 3gtm h ASP 85 Cb 0.39 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 3gtm h ASP 85 CO -0.08 0.41 0.51 0.00 -1.72 0.00 0.00 179.24 178.36 3gtm h ALA 86 N 1.66 1.23 -0.04 3.45 0.00 -0.30 0.19 119.26 125.45 3gtm h ALA 86 Ca 0.23 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3gtm h ALA 86 Cb 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gtm h ALA 86 CO -0.06 0.17 -0.06 1.25 0.00 0.00 0.00 179.25 180.54 3gtm h LEU 87 N 0.87 0.13 -0.57 0.00 5.85 0.22 -0.94 115.31 120.87 3gtm h LEU 87 Ca 0.41 -0.53 0.11 0.00 0.84 0.00 0.00 57.88 58.71 3gtm h LEU 87 Cb 0.33 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 3gtm h LEU 87 CO -0.23 0.64 0.02 0.11 -0.34 0.00 0.00 178.44 178.63 3gtm h LYS 88 N -0.38 0.13 0.16 1.25 1.57 0.17 0.27 116.57 119.73 3gtm h LYS 88 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3gtm h LYS 88 Cb 0.61 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3gtm h LYS 88 CO 0.01 0.09 -0.07 -0.91 -0.57 0.00 0.00 179.45 178.00 3gtm h ASN 89 N 0.14 -0.18 -0.98 0.86 2.35 -0.75 -2.79 115.58 114.23 3gtm h ASN 89 Ca 0.29 -0.33 0.28 0.00 -0.55 0.00 0.00 56.30 55.99 3gtm h ASN 89 Cb 0.46 0.05 -0.14 0.00 0.05 0.00 0.00 38.32 38.74 3gtm h ASN 89 CO -0.47 0.28 0.53 0.00 -1.65 0.00 0.00 177.43 176.12 3gtm h ALA 90 N 0.02 1.78 -0.07 -0.83 0.00 -0.38 -0.38 119.26 119.38 3gtm h ALA 90 Ca -0.02 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3gtm h ALA 90 Cb 0.50 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3gtm h ALA 90 CO 0.04 -0.43 -0.22 0.00 0.00 0.00 0.00 179.25 178.63 3gtm h ASN 92 N -0.21 0.00 -0.34 0.00 2.35 -0.83 0.23 115.58 116.79 3gtm h ASN 92 Ca -0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3gtm h ASN 92 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 3gtm h ASN 92 CO 0.05 0.00 -0.11 -1.28 -1.65 0.00 0.00 177.43 174.44 3gtm h SER 93 N 0.00 0.69 -0.39 5.81 0.87 -1.18 -2.22 113.55 117.14 3gtm h SER 93 Ca 0.09 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 3gtm h SER 93 Cb 0.51 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3gtm h SER 93 CO -0.00 0.92 0.13 0.40 -0.53 0.00 0.00 176.83 177.75 3gtm h ILE 94 N 0.47 1.21 -0.55 2.23 2.04 -0.51 0.12 117.51 122.52 3gtm h ILE 94 Ca 0.08 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.28 3gtm h ILE 94 Cb 0.63 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3gtm h ILE 94 CO 0.04 0.24 0.36 0.40 0.00 0.00 0.00 178.15 179.19 3gtm h ILE 95 N 0.48 1.13 -0.50 -0.67 2.04 -1.36 0.28 117.51 118.90 3gtm h ILE 95 Ca 0.13 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 3gtm h ILE 95 Cb 0.24 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3gtm h ILE 95 CO -0.01 0.13 -0.05 0.78 0.00 0.00 0.00 178.15 179.01 3gtm h ASN 96 N 0.73 0.86 0.42 1.72 2.35 -1.01 0.90 115.58 121.55 3gtm h ASN 96 Ca 0.21 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.57 3gtm h ASN 96 Cb -0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 3gtm h ASN 96 CO -0.05 0.96 -0.62 0.11 -1.65 0.00 0.00 177.43 176.17 3gtm h LYS 97 N 0.81 0.19 0.13 0.81 1.57 -0.54 -2.77 116.57 116.77 3gtm h LYS 97 Ca 0.14 -0.14 -0.21 0.00 -1.87 0.00 0.00 60.65 58.58 3gtm h LYS 97 Cb 0.55 0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.91 3gtm h LYS 97 CO 0.03 0.75 -0.91 -0.07 -0.57 0.00 0.00 179.45 178.69 3gtm h LEU 98 N 0.14 0.56 -1.74 2.94 3.38 -0.64 -2.36 115.31 117.59 3gtm h LEU 98 Ca -0.01 -0.91 0.18 0.00 0.09 0.00 0.00 57.88 57.24 3gtm h LEU 98 Cb 1.12 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 3gtm h LEU 98 CO 0.09 1.43 0.52 1.23 0.09 0.00 0.00 178.44 181.80 3gtm h GLY 99 N -0.21 0.44 0.74 0.83 0.00 0.80 -0.23 103.07 105.44 3gtm h GLY 99 Ca -0.15 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 3gtm h GLY 99 CO 0.17 0.02 -0.73 0.00 0.00 0.00 0.00 176.54 176.00 3gtm h ALA 100 N 1.64 -0.02 -0.98 3.60 0.00 -1.52 -3.16 119.26 118.82 3gtm h ALA 100 Ca 0.38 -0.64 0.17 0.00 0.00 0.00 0.00 54.91 54.81 3gtm h ALA 100 Cb 1.12 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3gtm h ALA 100 CO -0.08 0.37 0.61 1.25 0.00 0.00 0.00 179.25 181.40 3gtm h LEU 101 N -0.24 0.75 -0.03 0.00 6.46 -0.53 0.11 115.31 121.83 3gtm h LEU 101 Ca -0.11 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3gtm h LEU 101 Cb 1.50 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.36 3gtm h LEU 101 CO 0.14 0.33 0.01 0.50 -0.62 0.00 0.00 178.44 178.79 3gtm h LYS 102 N 0.77 0.05 -0.56 1.25 3.64 -1.28 -1.69 116.57 118.74 3gtm h LYS 102 Ca 0.53 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.94 3gtm h LYS 102 Cb 0.81 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 3gtm h LYS 102 CO -0.30 0.23 0.30 1.15 -2.27 0.00 0.00 179.45 178.56 3gtm h THR 103 N -0.14 0.97 -0.17 1.00 2.02 -1.03 -0.68 112.91 114.88 3gtm h THR 103 Ca 0.01 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3gtm h THR 103 Cb 0.20 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3gtm h THR 103 CO -0.00 0.11 0.09 0.78 0.37 0.00 0.00 175.52 176.87 3gtm h ASN 104 N 0.58 0.21 0.08 4.18 4.21 -0.79 -2.44 115.58 121.60 3gtm h ASN 104 Ca 0.25 -0.08 -0.00 0.00 1.21 0.00 0.00 56.30 57.68 3gtm h ASN 104 Cb 0.14 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 3gtm h ASN 104 CO -0.16 0.22 -0.04 0.15 -1.29 0.00 0.00 177.43 176.32 3gtm h PHE 105 N 0.17 -0.09 -0.79 1.19 3.57 -0.92 -1.57 116.94 118.49 3gtm h PHE 105 Ca 0.06 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.70 3gtm h PHE 105 Cb 0.06 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.74 3gtm h PHE 105 CO -0.04 0.12 0.36 0.93 -2.23 0.00 0.00 178.31 177.45 3gtm h GLU 106 N -0.30 0.51 0.51 1.11 5.08 -1.16 0.23 114.58 120.57 3gtm h GLU 106 Ca -0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3gtm h GLU 106 Cb 0.26 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.40 3gtm h GLU 106 CO 0.02 0.34 -0.25 1.15 -1.00 0.00 0.00 179.01 179.27 3gtm h THR 107 N 0.53 0.49 -0.65 1.13 2.02 -1.24 -2.67 112.91 112.52 3gtm h THR 107 Ca 0.43 -0.10 0.18 0.00 0.77 0.00 0.00 66.41 67.69 3gtm h THR 107 Cb 0.63 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3gtm h THR 107 CO -0.38 0.02 0.46 -0.33 0.37 0.00 0.00 175.52 175.66 3gtm h GLU 108 N -0.75 0.06 -0.13 6.66 4.39 -0.49 -0.16 114.58 124.17 3gtm h GLU 108 Ca -0.07 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 3gtm h GLU 108 Cb 0.56 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3gtm h GLU 108 CO 0.12 0.04 -0.56 2.35 -1.16 0.00 0.00 179.01 179.80 3gtm h TRP 109 N 0.07 0.49 0.00 4.33 2.91 -0.69 -3.19 115.95 119.87 3gtm h TRP 109 Ca 0.31 -0.17 -0.02 0.00 1.13 0.00 0.00 58.89 60.14 3gtm h TRP 109 Cb 1.14 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.69 3gtm h TRP 109 CO -0.00 0.86 -0.09 -0.91 -1.03 0.00 0.00 178.44 177.27 3gtm h ASN 110 N 0.30 0.00 -0.03 2.65 2.35 -0.69 -3.20 115.58 116.96 3gtm h ASN 110 Ca 0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 3gtm h ASN 110 Cb 1.07 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.45 3gtm h ASN 110 CO 0.09 0.09 -0.73 -0.07 -1.65 0.00 0.00 177.43 175.16 3gtm h LEU 111 N 0.00 0.69 -9.63 1.61 3.38 -1.52 -3.47 115.31 106.37 3gtm h LEU 111 Ca -0.00 -0.73 -0.42 0.00 0.09 0.00 0.00 57.88 56.82 3gtm h LEU 111 Cb 0.63 -0.21 0.22 0.00 0.09 0.00 0.00 40.66 41.39 3gtm h LEU 111 CO 0.01 1.32 -0.93 0.00 0.09 0.00 0.00 178.44 178.94 3gtm n GLN 112 N -4.10 -1.89 -3.13 1.13 1.13 -1.21 -5.03 117.38 104.28 3gtm n GLN 112 Ca -0.10 -0.54 -0.18 0.00 -1.94 0.00 0.00 57.00 54.24 3gtm n GLN 112 Cb 0.73 -1.70 -0.05 0.00 0.11 0.00 0.00 30.24 29.33 3gtm n GLN 112 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3gtm n THR 113 N -4.53 -0.72 -0.83 5.09 -1.04 -1.26 -5.10 114.28 105.89 3gtm n THR 113 Ca 0.02 -2.55 0.00 0.00 -2.04 0.00 0.00 64.05 59.48 3gtm n THR 113 Cb 0.59 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 3gtm n THR 113 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61