#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtm n THR 3 N 0.00 0.04 -4.96 12.58 -1.04 -1.26 -4.94 114.28 114.71 3gtm n THR 3 Ca 0.00 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 3gtm n THR 3 Cb 0.00 -0.69 -0.17 0.00 -1.82 0.00 0.00 70.33 67.65 3gtm n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3gtm s PHE 4 N 0.88 2.07 0.02 -1.42 -0.00 -1.26 -5.13 117.98 113.15 3gtm s PHE 4 Ca 0.88 -0.78 -0.01 0.00 -0.00 0.00 0.00 56.93 57.02 3gtm s PHE 4 Cb -1.06 -1.41 -0.04 0.00 -0.00 0.00 0.00 43.02 40.51 3gtm s PHE 4 CO 0.53 -0.33 0.16 0.50 -0.00 0.00 0.00 175.22 176.08 3gtm s ARG 5 N 0.38 3.31 0.28 1.99 3.52 -1.26 -5.07 118.95 122.10 3gtm s ARG 5 Ca -0.15 -0.43 0.07 0.00 -0.13 0.00 0.00 55.73 55.09 3gtm s ARG 5 Cb -0.16 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3gtm s ARG 5 CO 0.06 0.64 0.27 -0.06 -0.81 0.00 0.00 175.30 175.40 3gtm s PHE 6 N -1.37 3.11 0.87 5.12 2.99 -1.26 -3.78 117.98 123.66 3gtm s PHE 6 Ca 0.29 -0.15 -0.13 0.00 0.00 0.00 0.00 56.93 56.94 3gtm s PHE 6 Cb -0.13 -1.58 0.20 0.00 0.00 0.00 0.00 43.02 41.51 3gtm s PHE 6 CO 0.21 0.38 1.19 0.00 -0.00 0.00 0.00 175.22 177.00 3gtm n ARG 8 N -3.48 2.15 0.00 0.00 1.74 -1.26 -4.24 116.66 111.57 3gtm n ARG 8 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 3gtm n ARG 8 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3gtm n ARG 8 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gtm n ASP 9 N 0.00 0.00 0.00 0.55 5.75 -1.26 -0.69 116.55 120.90 3gtm n ASP 9 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.85 3gtm n ASP 9 Cb 0.00 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.46 3gtm n ASP 9 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gtm n ASN 11 N -1.22 -5.56 -2.65 0.00 5.15 0.13 -5.00 115.26 106.11 3gtm n ASN 11 Ca 0.08 0.25 -0.12 0.00 -0.60 0.00 0.00 54.58 54.18 3gtm n ASN 11 Cb 0.10 -1.38 -0.02 0.00 -0.53 0.00 0.00 39.78 37.94 3gtm n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gtm n ASN 12 N 1.03 -1.15 -4.70 1.20 5.03 -1.26 -4.97 115.26 110.43 3gtm n ASN 12 Ca -0.02 -2.57 -0.42 0.00 0.87 0.00 0.00 54.58 52.45 3gtm n ASN 12 Cb 0.48 2.14 -0.03 0.00 -1.02 0.00 0.00 39.78 41.35 3gtm n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3gtm s MET 13 N -2.65 4.40 -0.38 3.52 -2.45 -1.26 -3.69 119.30 116.78 3gtm s MET 13 Ca 0.24 1.74 -0.18 0.00 -1.25 0.00 0.00 55.69 56.24 3gtm s MET 13 Cb -0.01 -3.44 0.01 0.00 1.25 0.00 0.00 34.83 32.64 3gtm s MET 13 CO 0.17 -0.34 0.51 -0.51 1.05 0.00 0.00 175.02 175.90 3gtm s LEU 14 N 1.55 4.50 -0.12 4.11 1.43 -1.25 -4.53 118.68 124.37 3gtm s LEU 14 Ca 0.58 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 3gtm s LEU 14 Cb -0.28 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 3gtm s LEU 14 CO 0.26 -0.55 0.24 -0.31 0.23 0.00 0.00 176.35 176.23 3gtm s TYR 15 N 2.39 3.56 -0.15 0.29 1.51 0.31 -4.70 117.35 120.56 3gtm s TYR 15 Ca 0.17 0.62 -0.29 0.00 -1.01 0.00 0.00 57.07 56.57 3gtm s TYR 15 Cb -0.16 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 3gtm s TYR 15 CO 0.14 0.50 1.28 -1.25 -1.11 0.00 0.00 175.55 175.12 3gtm s PRO 16 N -0.38 4.24 0.43 -1.71 0.04 -1.26 -0.61 135.00 135.74 3gtm s PRO 16 Ca 0.16 1.69 0.06 0.00 0.04 0.00 0.00 61.00 62.95 3gtm s PRO 16 Cb -0.13 -3.77 -0.07 0.00 0.04 0.00 0.00 34.50 30.58 3gtm s PRO 16 CO 0.05 -0.70 0.02 1.03 0.04 0.00 0.00 177.00 177.44 3gtm s ARG 17 N 3.46 2.02 -0.08 4.56 0.52 0.11 -4.97 118.95 124.57 3gtm s ARG 17 Ca 0.56 -2.14 -0.03 0.00 -0.52 0.00 0.00 55.73 53.60 3gtm s ARG 17 Cb -0.22 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 3gtm s ARG 17 CO 0.16 -0.11 0.04 -2.00 0.02 0.00 0.00 175.30 173.40 3gtm s GLU 18 N -3.76 3.08 -0.51 3.54 2.12 -1.26 -2.12 118.70 119.79 3gtm s GLU 18 Ca 0.30 -0.36 -0.16 0.00 0.36 0.00 0.00 54.97 55.11 3gtm s GLU 18 Cb 0.08 -2.88 0.10 0.00 0.26 0.00 0.00 34.13 31.69 3gtm s GLU 18 CO 0.16 0.71 0.48 0.34 -0.54 0.00 0.00 175.26 176.41 3gtm s ASP 19 N -1.01 6.17 -0.00 -1.70 -1.08 -0.74 -4.95 116.67 113.37 3gtm s ASP 19 Ca 0.15 -1.50 -0.25 0.00 -0.52 0.00 0.00 52.55 50.43 3gtm s ASP 19 Cb -0.12 -2.21 -0.17 0.00 -1.46 0.00 0.00 42.92 38.96 3gtm s ASP 19 CO 0.04 -0.80 1.22 0.11 0.52 0.00 0.00 175.17 176.26 3gtm h LYS 20 N 8.87 -0.29 0.00 4.34 1.57 -1.98 -2.08 116.57 127.00 3gtm h LYS 20 Ca -0.29 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 3gtm h LYS 20 Cb 1.10 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 3gtm h LYS 20 CO 0.97 0.06 -0.14 1.49 -0.57 0.00 0.00 179.45 181.26 3gtm h GLU 21 N -0.69 0.00 0.00 3.15 4.81 -1.98 -3.19 114.58 116.67 3gtm h GLU 21 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3gtm h GLU 21 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3gtm h GLU 21 CO 0.05 0.14 -1.49 0.09 -0.73 0.00 0.00 179.01 177.06 3gtm n ASN 22 N -3.37 2.46 -2.22 1.04 3.02 -1.25 -5.06 115.26 109.89 3gtm n ASN 22 Ca -0.00 -0.01 -0.02 0.00 -0.03 0.00 0.00 54.58 54.52 3gtm n ASN 22 Cb 0.33 1.50 0.01 0.00 -0.61 0.00 0.00 39.78 41.01 3gtm n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gtm n ASN 23 N -1.87 -4.41 -3.83 6.41 3.02 -0.79 -5.09 115.26 108.69 3gtm n ASN 23 Ca -0.02 -0.12 -0.08 0.00 -0.03 0.00 0.00 54.58 54.33 3gtm n ASN 23 Cb 0.29 -2.81 -0.03 0.00 -0.61 0.00 0.00 39.78 36.61 3gtm n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gtm s ARG 24 N -3.20 1.74 -0.12 3.52 1.70 -1.18 -5.05 118.95 116.37 3gtm s ARG 24 Ca 0.06 -1.13 -0.04 0.00 -0.47 0.00 0.00 55.73 54.16 3gtm s ARG 24 Cb -0.01 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 3gtm s ARG 24 CO 0.33 -0.77 0.02 -1.17 -1.08 0.00 0.00 175.30 172.63 3gtm s LEU 25 N -2.97 3.66 -0.03 -1.89 2.96 -1.26 -1.79 118.68 117.35 3gtm s LEU 25 Ca 0.16 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 3gtm s LEU 25 Cb -0.04 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.80 3gtm s LEU 25 CO 0.08 0.31 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.63 3gtm s LEU 26 N -0.49 1.46 0.29 -0.68 1.43 -0.90 -2.87 118.68 116.93 3gtm s LEU 26 Ca 0.09 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.92 3gtm s LEU 26 Cb -0.12 -0.37 -0.09 0.00 0.03 0.00 0.00 46.19 45.65 3gtm s LEU 26 CO 0.02 -0.03 0.73 -0.36 0.23 0.00 0.00 176.35 176.94 3gtm s PHE 27 N 0.68 3.46 0.05 0.29 2.99 -0.71 0.06 117.98 124.80 3gtm s PHE 27 Ca -0.08 1.28 -0.13 0.00 0.00 0.00 0.00 56.93 57.99 3gtm s PHE 27 Cb -0.12 -2.57 0.02 0.00 0.00 0.00 0.00 43.02 40.36 3gtm s PHE 27 CO -0.00 0.17 0.29 -1.83 -0.00 0.00 0.00 175.22 173.84 3gtm s GLU 28 N -2.66 0.82 -0.06 0.44 -1.05 0.22 -1.24 118.70 115.17 3gtm s GLU 28 Ca 0.51 -0.58 -0.13 0.00 -0.15 0.00 0.00 54.97 54.62 3gtm s GLU 28 Cb -0.12 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 3gtm s GLU 28 CO 0.18 -0.27 0.34 0.00 0.95 0.00 0.00 175.26 176.47 3gtm n ARG 30 N 2.30 2.24 0.00 0.00 1.74 -1.26 -4.14 116.66 117.54 3gtm n ARG 30 Ca -0.14 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 53.84 3gtm n ARG 30 Cb 0.53 -1.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3gtm n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3gtm n THR 31 N -0.96 0.00 -1.86 0.55 -1.04 -1.26 -5.09 114.28 104.62 3gtm n THR 31 Ca 0.38 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 3gtm n THR 31 Cb 1.18 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.64 3gtm n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtm n SER 33 N 0.00 1.09 -4.75 0.00 7.64 -1.26 -4.84 113.62 111.50 3gtm n SER 33 Ca 0.00 -2.58 -0.40 0.00 1.01 0.00 0.00 58.87 56.90 3gtm n SER 33 Cb 0.00 -0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 62.80 3gtm n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3gtm s TYR 34 N -1.23 3.96 -0.13 1.43 6.04 -1.26 -4.96 117.35 121.19 3gtm s TYR 34 Ca 0.22 1.90 -0.12 0.00 0.04 0.00 0.00 57.07 59.12 3gtm s TYR 34 Cb 0.22 -2.97 0.03 0.00 -1.04 0.00 0.00 41.96 38.21 3gtm s TYR 34 CO -0.05 0.44 0.35 0.08 -1.54 0.00 0.00 175.55 174.83 3gtm s VAL 35 N -1.22 -0.00 0.12 3.14 1.01 -1.26 -1.61 120.40 120.57 3gtm s VAL 35 Ca 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 3gtm s VAL 35 Cb -0.25 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 3gtm s VAL 35 CO 0.31 0.00 0.09 -1.83 0.00 0.00 0.00 175.10 173.68 3gtm s GLU 36 N 0.24 0.91 0.86 2.72 -1.05 -0.38 -5.01 118.70 117.00 3gtm s GLU 36 Ca -0.01 -1.32 -0.12 0.00 -0.15 0.00 0.00 54.97 53.37 3gtm s GLU 36 Cb -0.03 0.27 0.11 0.00 -0.44 0.00 0.00 34.13 34.04 3gtm s GLU 36 CO -0.00 -0.27 1.10 -1.83 0.95 0.00 0.00 175.26 175.21 3gtm s GLU 37 N -4.00 1.53 -0.15 -4.83 -1.05 -1.26 -1.74 118.70 107.20 3gtm s GLU 37 Ca 0.19 0.61 -0.13 0.00 -0.15 0.00 0.00 54.97 55.49 3gtm s GLU 37 Cb 0.07 -1.86 -0.05 0.00 -0.44 0.00 0.00 34.13 31.85 3gtm s GLU 37 CO -0.01 -2.00 0.27 0.00 0.95 0.00 0.00 175.26 174.46 3gtm s ALA 38 N -3.10 3.64 -0.83 -0.84 0.00 -1.14 -4.63 121.76 114.86 3gtm s ALA 38 Ca 0.62 -0.48 0.27 0.00 0.00 0.00 0.00 51.96 52.37 3gtm s ALA 38 Cb -0.16 -2.32 0.85 0.00 0.00 0.00 0.00 23.12 21.49 3gtm s ALA 38 CO 0.55 0.18 1.72 0.41 0.00 0.00 0.00 175.76 178.62 3gtm n GLY 39 N 3.14 -1.55 3.37 0.00 0.00 -1.26 -4.90 105.19 103.99 3gtm n GLY 39 Ca -0.13 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 3gtm n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtm s SER 40 N -3.83 -0.41 0.00 1.61 1.04 -1.26 -5.05 113.70 105.80 3gtm s SER 40 Ca 0.11 -0.09 0.26 0.00 0.48 0.00 0.00 55.95 56.71 3gtm s SER 40 Cb 0.15 0.53 0.58 0.00 0.10 0.00 0.00 66.02 67.38 3gtm s SER 40 CO 0.60 -0.87 1.46 -2.65 0.98 0.00 0.00 173.24 172.76 3gtm n PRO 41 N -0.16 1.17 -2.99 4.02 -0.02 -1.26 -4.82 135.00 130.94 3gtm n PRO 41 Ca -0.17 -0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 60.09 3gtm n PRO 41 Cb 0.64 -1.48 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 3gtm n PRO 41 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gtm s LEU 42 N -2.38 4.22 -0.23 2.45 2.96 -1.26 -4.91 118.68 119.53 3gtm s LEU 42 Ca 0.25 0.09 0.09 0.00 -0.22 0.00 0.00 54.13 54.34 3gtm s LEU 42 Cb 0.19 -2.95 -0.20 0.00 0.50 0.00 0.00 46.19 43.73 3gtm s LEU 42 CO 0.49 -0.79 -0.10 0.52 -1.32 0.00 0.00 176.35 175.14 3gtm n VAL 43 N 5.91 1.42 -3.71 1.68 0.31 -1.26 -4.98 118.33 117.70 3gtm n VAL 43 Ca 0.02 -0.68 -0.13 0.00 -0.01 0.00 0.00 64.34 63.53 3gtm n VAL 43 Cb 0.48 -1.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.27 3gtm n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3gtm s TYR 44 N -2.50 -0.31 0.02 3.52 5.04 -1.26 -4.95 117.35 116.91 3gtm s TYR 44 Ca -0.24 0.77 0.06 0.00 -2.44 0.00 0.00 57.07 55.22 3gtm s TYR 44 Cb 0.08 -0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.34 3gtm s TYR 44 CO 0.69 -0.26 -0.18 0.50 -1.34 0.00 0.00 175.55 174.96 3gtm s ARG 45 N 1.66 1.34 -0.39 4.97 3.52 -1.26 -5.07 118.95 123.72 3gtm s ARG 45 Ca -0.05 -0.77 0.02 0.00 -0.13 0.00 0.00 55.73 54.80 3gtm s ARG 45 Cb -0.11 -1.36 0.15 0.00 -1.56 0.00 0.00 34.95 32.07 3gtm s ARG 45 CO -0.08 0.36 0.27 -1.58 -0.81 0.00 0.00 175.30 173.46 3gtm s HIS 46 N -0.63 1.04 0.13 5.12 5.65 -1.26 -4.86 115.29 120.49 3gtm s HIS 46 Ca 0.06 -1.99 -0.30 0.00 0.25 0.00 0.00 55.06 53.08 3gtm s HIS 46 Cb -0.08 -1.05 -0.07 0.00 -1.18 0.00 0.00 32.58 30.20 3gtm s HIS 46 CO 0.01 -0.82 1.15 -1.21 -0.65 0.00 0.00 174.74 173.22 3gtm s GLU 47 N 0.58 4.52 0.00 2.88 2.02 -1.26 -4.95 118.70 122.48 3gtm s GLU 47 Ca 0.23 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.98 3gtm s GLU 47 Cb -0.13 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.80 3gtm s GLU 47 CO -0.07 -0.08 0.00 1.28 0.02 0.00 0.00 175.26 176.41 3gtm n LEU 48 N 2.99 0.00 -4.59 1.80 4.77 -1.26 -4.93 117.00 115.78 3gtm n LEU 48 Ca 0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 3gtm n LEU 48 Cb 0.46 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3gtm n LEU 48 CO 0.55 -0.46 1.07 -0.63 -1.33 0.00 0.00 177.39 176.59 3gtm s ILE 49 N -0.92 4.05 -0.15 -0.08 1.01 -1.26 -5.01 121.20 118.84 3gtm s ILE 49 Ca 0.00 0.98 -0.02 0.00 0.00 0.00 0.00 60.65 61.61 3gtm s ILE 49 Cb 0.00 -4.70 -0.02 0.00 0.01 0.00 0.00 42.46 37.76 3gtm s ILE 49 CO 0.00 -1.27 -0.10 -0.89 0.00 0.00 0.00 174.94 172.69 3gtm s THR 50 N 4.86 3.26 -0.42 2.92 2.01 -1.26 -5.08 115.64 121.93 3gtm s THR 50 Ca 0.44 -0.58 -0.25 0.00 0.31 0.00 0.00 61.69 61.62 3gtm s THR 50 Cb -0.07 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.05 3gtm s THR 50 CO 0.27 0.50 0.88 0.20 -0.69 0.00 0.00 174.62 175.78 3gtm s ASN 51 N 0.58 6.55 0.01 3.53 0.01 -1.26 -5.03 114.94 119.33 3gtm s ASN 51 Ca -0.06 0.27 -0.01 0.00 -0.71 0.00 0.00 52.86 52.34 3gtm s ASN 51 Cb -0.15 -2.44 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 3gtm s ASN 51 CO 0.03 -0.92 0.01 -0.63 -1.51 0.00 0.00 177.10 174.08 3gtm s ILE 52 N 3.49 0.07 -0.31 0.60 1.01 -1.26 -5.11 121.20 119.70 3gtm s ILE 52 Ca 0.35 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.32 3gtm s ILE 52 Cb -0.11 -0.21 0.19 0.00 0.01 0.00 0.00 42.46 42.34 3gtm s ILE 52 CO 0.22 -0.31 1.09 -0.83 0.00 0.00 0.00 174.94 175.11 3gtm s GLY 53 N -0.94 -1.20 0.19 6.18 0.00 -1.26 -5.05 107.32 105.24 3gtm s GLY 53 Ca -0.10 1.83 0.09 0.00 0.00 0.00 0.00 44.72 46.53 3gtm s GLY 53 CO -0.00 4.25 -0.18 -0.54 0.00 0.00 0.00 173.10 176.62 3gtm s GLU 54 N 2.51 1.35 0.00 2.90 2.02 -1.26 -5.09 118.70 121.14 3gtm s GLU 54 Ca 0.23 -1.50 0.00 0.00 0.02 0.00 0.00 54.97 53.72 3gtm s GLU 54 Cb 0.01 -1.36 0.00 0.00 0.10 0.00 0.00 34.13 32.88 3gtm s GLU 54 CO -0.19 0.26 0.00 2.41 0.02 0.00 0.00 175.26 177.76 3gtm n THR 55 N 0.02 0.00 -4.67 3.63 -1.04 -1.26 -3.07 114.28 107.89 3gtm n THR 55 Ca -0.11 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.59 3gtm n THR 55 Cb 0.58 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.03 3gtm n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtm n ALA 56 N -3.00 0.45 -2.89 2.41 0.00 -1.26 -3.43 120.51 112.79 3gtm n ALA 56 Ca 0.00 -2.21 -0.44 0.00 0.00 0.00 0.00 53.44 50.79 3gtm n ALA 56 Cb 0.00 1.19 0.00 0.00 0.00 0.00 0.00 19.45 20.64 3gtm n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtm n GLY 57 N -0.92 3.87 3.67 0.00 0.00 -1.26 -5.00 105.19 105.55 3gtm n GLY 57 Ca -0.19 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.25 3gtm n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtm s VAL 58 N 0.66 3.75 -2.31 1.61 1.01 -1.26 -4.87 120.40 119.00 3gtm s VAL 58 Ca 0.40 1.02 0.21 0.00 0.00 0.00 0.00 61.98 63.61 3gtm s VAL 58 Cb -0.01 -3.66 0.45 0.00 0.00 0.00 0.00 36.38 33.16 3gtm s VAL 58 CO -0.00 -0.05 1.45 0.52 0.00 0.00 0.00 175.10 177.01 3gtm n VAL 59 N 5.12 0.48 0.00 2.92 0.31 -1.26 -4.90 118.33 121.00 3gtm n VAL 59 Ca 0.15 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 3gtm n VAL 59 Cb 0.43 0.66 0.00 0.00 -0.91 0.00 0.00 33.84 34.02 3gtm n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtm n GLN 60 N 1.08 0.00 0.00 5.55 6.02 -1.26 -4.63 117.38 124.13 3gtm n GLN 60 Ca 0.18 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.27 3gtm n GLN 60 Cb 0.50 -2.41 0.57 0.00 1.02 0.00 0.00 30.24 29.91 3gtm n GLN 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3gtm n ASP 61 N 0.04 0.00 -0.31 1.08 8.00 -1.26 -3.63 116.55 120.47 3gtm n ASP 61 Ca 0.00 -1.22 0.05 0.00 0.71 0.00 0.00 54.79 54.34 3gtm n ASP 61 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.35 3gtm n ASP 61 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3gtm h ILE 62 N 0.00 1.02 -0.25 0.53 2.04 -1.96 0.31 117.51 119.21 3gtm h ILE 62 Ca 0.00 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.59 3gtm h ILE 62 Cb 0.00 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 3gtm h ILE 62 CO 0.00 0.18 0.25 1.23 0.00 0.00 0.00 178.15 179.81 3gtm h GLY 63 N 0.99 0.00 -4.25 5.37 0.00 -1.94 -1.81 103.07 101.43 3gtm h GLY 63 Ca 0.41 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.14 3gtm h GLY 63 CO -0.17 0.00 0.76 -1.14 0.00 0.00 0.00 176.54 175.99 3gtm n SER 64 N -3.89 7.21 -3.73 0.19 3.41 0.11 -4.78 113.62 112.15 3gtm n SER 64 Ca 0.03 -3.56 -0.24 0.00 -0.26 0.00 0.00 58.87 54.84 3gtm n SER 64 Cb 0.39 -1.06 -0.17 0.00 -0.26 0.00 0.00 64.21 63.10 3gtm n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gtm s ASP 65 N -0.86 2.03 0.35 4.04 -1.08 -0.68 -5.05 116.67 115.41 3gtm s ASP 65 Ca 0.54 -0.35 0.06 0.00 -0.52 0.00 0.00 52.55 52.27 3gtm s ASP 65 Cb 0.42 -0.43 0.66 0.00 -1.46 0.00 0.00 42.92 42.11 3gtm s ASP 65 CO -0.15 -0.25 1.89 -0.65 0.52 0.00 0.00 175.17 176.53 3gtm h PRO 66 N 8.33 0.47 -0.61 4.34 0.11 -1.87 -3.14 132.00 139.62 3gtm h PRO 66 Ca -0.17 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3gtm h PRO 66 Cb 1.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gtm h PRO 66 CO 0.27 0.51 0.00 0.25 -0.21 0.00 0.00 178.00 178.82 3gtm n THR 67 N -4.29 0.00 -4.65 -1.15 -2.24 -1.26 -4.69 114.28 95.99 3gtm n THR 67 Ca 0.01 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 3gtm n THR 67 Cb 0.24 -0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.00 3gtm n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gtm s LEU 68 N -0.25 2.91 0.58 3.22 1.43 -1.19 -5.11 118.68 120.27 3gtm s LEU 68 Ca 0.00 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 3gtm s LEU 68 Cb 0.00 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3gtm s LEU 68 CO 0.00 0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.69 3gtm s PRO 69 N 0.27 3.26 -0.23 1.29 0.04 -1.26 -4.87 135.00 133.51 3gtm s PRO 69 Ca -0.07 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 3gtm s PRO 69 Cb -0.15 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.39 3gtm s PRO 69 CO 0.05 -0.88 -0.06 1.03 0.04 0.00 0.00 177.00 177.17 3gtm s ARG 70 N -3.72 3.09 0.00 4.56 1.81 -1.26 -2.47 118.95 120.97 3gtm s ARG 70 Ca 0.68 -0.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 3gtm s ARG 70 Cb -0.20 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 31.33 3gtm s ARG 70 CO 0.32 -0.30 0.00 -1.13 -0.68 0.00 0.00 175.30 173.52 3gtm n SER 71 N 4.73 0.00 -2.78 0.23 3.41 -1.25 -5.01 113.62 112.95 3gtm n SER 71 Ca -0.18 -0.22 -0.02 0.00 -0.26 0.00 0.00 58.87 58.20 3gtm n SER 71 Cb 0.49 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.51 3gtm n SER 71 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gtm n ASP 72 N -0.67 0.69 -4.85 4.04 5.75 -1.26 -4.30 116.55 115.95 3gtm n ASP 72 Ca 0.00 -2.15 -0.32 0.00 -0.01 0.00 0.00 54.79 52.31 3gtm n ASP 72 Cb 0.00 -0.14 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 3gtm n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3gtm s ARG 73 N -2.64 3.96 -0.18 0.11 0.52 -1.26 -4.96 118.95 114.51 3gtm s ARG 73 Ca 0.22 0.86 -0.24 0.00 -0.52 0.00 0.00 55.73 56.05 3gtm s ARG 73 Cb 0.37 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.60 3gtm s ARG 73 CO -0.06 -0.15 0.77 -1.83 0.02 0.00 0.00 175.30 174.05 3gtm s GLU 74 N -3.79 4.26 0.28 3.54 -1.05 -1.26 -4.42 118.70 116.26 3gtm s GLU 74 Ca 0.57 0.89 -0.30 0.00 -0.15 0.00 0.00 54.97 55.98 3gtm s GLU 74 Cb -0.10 -3.58 -0.11 0.00 -0.44 0.00 0.00 34.13 29.91 3gtm s GLU 74 CO 0.27 -0.31 1.48 0.00 0.95 0.00 0.00 175.26 177.65 3gtm h PRO 76 N 4.66 0.28 0.00 0.00 0.11 -1.96 -1.70 132.00 133.39 3gtm h PRO 76 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gtm h PRO 76 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gtm h PRO 76 CO 0.76 0.18 -0.94 1.63 -0.21 0.00 0.00 178.00 179.42 3gtm n LYS 77 N -5.09 0.51 0.03 1.05 5.02 -1.26 -4.72 118.16 113.70 3gtm n LYS 77 Ca 0.31 0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 3gtm n LYS 77 Cb 0.98 -1.43 0.26 0.00 -0.02 0.00 0.00 35.03 34.82 3gtm n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gtm n HIS 79 N -1.78 -0.12 -3.23 0.00 8.25 -0.64 -4.95 115.22 112.75 3gtm n HIS 79 Ca 0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 3gtm n HIS 79 Cb 0.38 -2.74 -0.06 0.00 1.12 0.00 0.00 29.99 28.69 3gtm n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3gtm s SER 80 N -2.76 6.62 -0.08 0.41 0.01 -1.26 -4.62 113.70 112.02 3gtm s SER 80 Ca 0.00 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.01 3gtm s SER 80 Cb 0.00 -2.31 0.07 0.00 0.21 0.00 0.00 66.02 64.00 3gtm s SER 80 CO 0.00 -0.17 1.62 0.54 0.41 0.00 0.00 173.24 175.64 3gtm n ARG 81 N 4.62 1.20 -3.62 12.44 1.74 -1.26 -3.86 116.66 127.92 3gtm n ARG 81 Ca -0.04 -0.43 -0.37 0.00 -0.77 0.00 0.00 57.85 56.24 3gtm n ARG 81 Cb 0.50 -1.17 -0.07 0.00 -1.02 0.00 0.00 32.46 30.71 3gtm n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3gtm s GLU 82 N -0.49 3.18 0.19 5.56 2.02 -1.26 -4.73 118.70 123.16 3gtm s GLU 82 Ca 0.08 -3.04 0.06 0.00 0.02 0.00 0.00 54.97 52.08 3gtm s GLU 82 Cb 0.07 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 3gtm s GLU 82 CO 0.01 -1.24 0.15 -0.80 0.02 0.00 0.00 175.26 173.39 3gtm s ASN 83 N 0.28 5.51 -0.03 -0.19 0.01 -1.26 -1.68 114.94 117.59 3gtm s ASN 83 Ca 0.24 -0.17 0.02 0.00 -0.71 0.00 0.00 52.86 52.25 3gtm s ASN 83 Cb -0.11 -1.43 0.00 0.00 0.41 0.00 0.00 41.25 40.13 3gtm s ASN 83 CO -0.10 0.04 -0.08 0.54 -1.51 0.00 0.00 177.10 175.99 3gtm s VAL 84 N -1.85 0.73 0.18 1.60 0.11 -1.08 -3.85 120.40 116.23 3gtm s VAL 84 Ca 0.31 -0.33 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 3gtm s VAL 84 Cb -0.09 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 3gtm s VAL 84 CO 0.24 0.23 -0.04 0.72 -3.33 0.00 0.00 175.10 172.92 3gtm s PHE 85 N 0.23 1.32 0.18 1.54 -0.12 -1.03 -0.22 117.98 119.88 3gtm s PHE 85 Ca -0.03 -0.89 -0.24 0.00 -0.05 0.00 0.00 56.93 55.72 3gtm s PHE 85 Cb -0.09 -0.73 0.05 0.00 -0.63 0.00 0.00 43.02 41.63 3gtm s PHE 85 CO 0.00 -0.05 0.82 -0.59 -0.05 0.00 0.00 175.22 175.35 3gtm s PHE 86 N -3.47 -0.23 0.66 3.49 -0.12 -0.92 -4.27 117.98 113.13 3gtm s PHE 86 Ca 0.22 -0.10 -0.05 0.00 -0.05 0.00 0.00 56.93 56.95 3gtm s PHE 86 Cb 0.05 0.64 0.05 0.00 -0.63 0.00 0.00 43.02 43.13 3gtm s PHE 86 CO 0.04 -0.95 0.96 -0.65 -0.05 0.00 0.00 175.22 174.56 3gtm s GLN 87 N -3.55 2.35 0.24 1.99 -0.21 -1.26 0.01 119.66 119.22 3gtm s GLN 87 Ca 0.10 -0.32 -0.31 0.00 0.02 0.00 0.00 55.36 54.84 3gtm s GLN 87 Cb -0.03 -2.24 -0.14 0.00 1.00 0.00 0.00 33.01 31.60 3gtm s GLN 87 CO 0.01 -1.07 1.35 0.45 -2.12 0.00 0.00 175.29 173.90 3gtm n SER 88 N -2.77 2.51 -0.09 5.90 2.88 -1.20 -4.83 113.62 116.02 3gtm n SER 88 Ca 0.08 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.90 3gtm n SER 88 Cb 0.60 -1.40 0.61 0.00 -0.75 0.00 0.00 64.21 63.28 3gtm n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gtm n GLN 89 N 1.83 0.60 -2.27 -1.46 1.13 -1.17 -4.50 117.38 111.54 3gtm n GLN 89 Ca 0.11 -0.19 -0.33 0.00 -1.94 0.00 0.00 57.00 54.65 3gtm n GLN 89 Cb 0.31 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.12 3gtm n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3gtm s GLN 90 N -2.53 3.05 -0.70 -1.09 0.74 -1.26 -4.83 119.66 113.04 3gtm s GLN 90 Ca 0.28 -1.02 -0.06 0.00 0.05 0.00 0.00 55.36 54.60 3gtm s GLN 90 Cb 0.20 -5.27 -0.13 0.00 1.10 0.00 0.00 33.01 28.91 3gtm s GLN 90 CO 0.48 -3.05 2.73 0.54 -0.55 0.00 0.00 175.29 175.45 3gtm n ARG 91 N 8.64 2.30 -3.70 1.67 5.12 -1.26 -4.78 116.66 124.65 3gtm n ARG 91 Ca 0.41 -1.36 -0.28 0.00 -1.93 0.00 0.00 57.85 54.70 3gtm n ARG 91 Cb 0.48 -2.29 -0.03 0.00 -1.16 0.00 0.00 32.46 29.45 3gtm n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3gtm s ARG 92 N 2.17 3.52 0.38 5.56 3.52 -1.26 -5.01 118.95 127.83 3gtm s ARG 92 Ca 0.54 -0.33 0.08 0.00 -0.13 0.00 0.00 55.73 55.89 3gtm s ARG 92 Cb 0.19 -2.84 0.81 0.00 -1.56 0.00 0.00 34.95 31.55 3gtm s ARG 92 CO -0.03 0.41 1.97 0.87 -0.81 0.00 0.00 175.30 177.71 3gtm h LYS 93 N 2.06 0.66 0.11 5.12 1.57 -2.05 -3.07 116.57 120.97 3gtm h LYS 93 Ca -0.48 -0.04 -0.32 0.00 -1.87 0.00 0.00 60.65 57.94 3gtm h LYS 93 Cb 1.19 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3gtm h LYS 93 CO 0.68 0.43 -1.67 0.38 -0.57 0.00 0.00 179.45 178.71 3gtm h ASP 94 N 0.68 0.37 -2.48 0.86 2.03 -1.95 -3.48 116.42 112.45 3gtm h ASP 94 Ca 0.30 -0.59 -0.60 0.00 -0.73 0.00 0.00 57.03 55.42 3gtm h ASP 94 Cb 0.31 -0.12 0.16 0.00 -0.83 0.00 0.00 39.33 38.85 3gtm h ASP 94 CO -0.10 1.50 -0.58 0.41 -1.03 0.00 0.00 179.24 179.45 3gtm n THR 95 N -3.42 1.53 -2.44 1.15 -1.04 -1.16 -4.94 114.28 103.97 3gtm n THR 95 Ca -0.20 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.05 3gtm n THR 95 Cb 1.05 -0.46 0.14 0.00 -1.82 0.00 0.00 70.33 69.24 3gtm n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3gtm s SER 96 N -1.05 3.90 -0.59 8.00 1.04 -1.26 -4.97 113.70 118.78 3gtm s SER 96 Ca 0.64 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.75 3gtm s SER 96 Cb -0.52 0.07 0.28 0.00 0.10 0.00 0.00 66.02 65.95 3gtm s SER 96 CO 0.58 -2.18 2.22 0.23 0.98 0.00 0.00 173.24 175.07 3gtm n MET 97 N -3.12 2.44 -2.78 4.02 2.81 -1.26 -4.59 117.12 114.65 3gtm n MET 97 Ca 0.16 -2.74 -0.42 0.00 -1.81 0.00 0.00 57.70 52.90 3gtm n MET 97 Cb 0.60 -2.10 -0.03 0.00 -0.71 0.00 0.00 33.22 30.98 3gtm n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3gtm s VAL 98 N -3.70 4.89 0.07 2.03 1.01 -1.26 -5.00 120.40 118.43 3gtm s VAL 98 Ca 0.53 1.92 -0.19 0.00 0.00 0.00 0.00 61.98 64.24 3gtm s VAL 98 Cb 0.40 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 3gtm s VAL 98 CO -0.17 0.14 0.56 -0.76 0.00 0.00 0.00 175.10 174.88 3gtm s LEU 99 N 1.22 4.52 -0.14 3.92 1.43 -1.26 -3.21 118.68 125.16 3gtm s LEU 99 Ca 0.48 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.80 3gtm s LEU 99 Cb -0.20 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3gtm s LEU 99 CO 0.23 0.27 -0.06 -0.36 0.23 0.00 0.00 176.35 176.66 3gtm s PHE 100 N -1.09 2.96 -0.21 0.29 0.40 0.10 -2.92 117.98 117.51 3gtm s PHE 100 Ca 0.29 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 56.17 3gtm s PHE 100 Cb -0.19 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 3gtm s PHE 100 CO 0.19 -0.06 0.06 -0.06 0.70 0.00 0.00 175.22 176.05 3gtm s PHE 101 N 0.29 3.15 -0.42 0.36 0.40 0.96 -2.15 117.98 120.57 3gtm s PHE 101 Ca -0.05 -0.16 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 3gtm s PHE 101 Cb -0.14 -2.15 0.06 0.00 0.51 0.00 0.00 43.02 41.29 3gtm s PHE 101 CO 0.04 -0.09 0.30 0.08 0.70 0.00 0.00 175.22 176.24 3gtm s VAL 102 N 0.96 4.78 -0.04 -0.44 1.01 0.69 -2.13 120.40 125.23 3gtm s VAL 102 Ca 0.04 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 3gtm s VAL 102 Cb -0.14 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 3gtm s VAL 102 CO 0.03 -0.44 1.59 0.00 0.00 0.00 0.00 175.10 176.28 3gtm n LEU 104 N 6.60 0.90 -0.05 0.00 4.77 -0.68 -0.05 117.00 128.49 3gtm n LEU 104 Ca 0.16 -0.45 -0.06 0.00 -0.03 0.00 0.00 56.01 55.62 3gtm n LEU 104 Cb 0.43 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3gtm n LEU 104 CO 0.61 0.19 -0.84 -1.20 -1.33 0.00 0.00 177.39 174.82 3gtm n SER 105 N -0.12 2.90 0.00 -1.43 7.64 -1.26 -4.81 113.62 116.54 3gtm n SER 105 Ca 0.03 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3gtm n SER 105 Cb 0.19 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 3gtm n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtm n SER 107 N -0.02 -4.22 -4.75 0.00 7.64 0.92 -5.00 113.62 108.19 3gtm n SER 107 Ca 0.00 0.24 -0.34 0.00 1.01 0.00 0.00 58.87 59.77 3gtm n SER 107 Cb 0.18 -2.56 0.06 0.00 -1.01 0.00 0.00 64.21 60.89 3gtm n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3gtm s HIS 108 N -2.33 2.33 -0.51 1.43 5.65 -1.25 -4.68 115.29 115.94 3gtm s HIS 108 Ca 0.00 1.57 0.03 0.00 0.25 0.00 0.00 55.06 56.91 3gtm s HIS 108 Cb 0.00 -3.36 0.13 0.00 -1.18 0.00 0.00 32.58 28.17 3gtm s HIS 108 CO 0.00 -2.17 0.27 0.42 -0.65 0.00 0.00 174.74 172.61 3gtm s ILE 109 N -2.02 2.23 0.18 0.89 1.01 -1.26 -1.27 121.20 120.96 3gtm s ILE 109 Ca 0.72 -3.15 -0.02 0.00 0.00 0.00 0.00 60.65 58.21 3gtm s ILE 109 Cb -0.26 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.62 3gtm s ILE 109 CO 0.41 -0.85 0.39 0.72 0.00 0.00 0.00 174.94 175.61 3gtm s PHE 110 N -0.17 3.48 0.00 3.97 -0.12 -0.91 -4.86 117.98 119.38 3gtm s PHE 110 Ca 0.18 0.41 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 3gtm s PHE 110 Cb -0.24 -1.90 0.00 0.00 -0.63 0.00 0.00 43.02 40.25 3gtm s PHE 110 CO -0.01 0.39 0.00 2.41 -0.05 0.00 0.00 175.22 177.96 3gtm n THR 111 N -0.43 0.00 0.13 -4.49 -1.04 -1.26 -0.03 114.28 107.16 3gtm n THR 111 Ca -0.04 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.98 3gtm n THR 111 Cb 0.53 -0.51 -0.01 0.00 -1.82 0.00 0.00 70.33 68.52 3gtm n THR 111 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3gtm n SER 112 N -1.26 0.45 -4.55 8.00 3.41 -1.15 -4.86 113.62 113.65 3gtm n SER 112 Ca 0.00 -0.73 -0.40 0.00 -0.26 0.00 0.00 58.87 57.48 3gtm n SER 112 Cb 0.00 0.71 0.02 0.00 -0.26 0.00 0.00 64.21 64.68 3gtm n SER 112 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtm n ASP 113 N -0.71 0.30 -0.55 4.04 -0.08 -1.26 -4.95 116.55 113.35 3gtm n ASP 113 Ca 0.01 0.92 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 3gtm n ASP 113 Cb 0.05 -1.27 0.00 0.00 2.34 0.00 0.00 41.12 42.24 3gtm n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gtm n GLN 114 N 0.01 0.00 -0.01 -0.67 6.02 -1.26 -4.88 117.38 116.59 3gtm n GLN 114 Ca 0.11 -0.85 -0.02 0.00 -0.01 0.00 0.00 57.00 56.23 3gtm n GLN 114 Cb 0.42 -0.37 -0.01 0.00 1.02 0.00 0.00 30.24 31.30 3gtm n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gtm n LYS 115 N 0.02 0.06 -1.81 -1.09 5.02 -1.26 -5.11 118.16 113.99 3gtm n LYS 115 Ca -0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3gtm n LYS 115 Cb 0.68 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 3gtm n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gtm n ASN 116 N -2.78 1.80 -3.78 4.39 3.02 -1.26 -5.17 115.26 111.47 3gtm n ASN 116 Ca -0.05 -0.90 -0.13 0.00 -0.03 0.00 0.00 54.58 53.47 3gtm n ASN 116 Cb 0.54 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.61 3gtm n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3gtm s LYS 117 N -1.71 0.43 0.03 3.52 1.02 -1.26 -4.92 119.74 116.85 3gtm s LYS 117 Ca 0.00 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.15 3gtm s LYS 117 Cb 0.00 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.49 3gtm s LYS 117 CO 0.00 -0.08 -0.05 1.03 -0.92 0.00 0.00 175.35 175.33 3gtm s ARG 118 N -0.40 0.37 -0.31 1.68 0.52 -1.26 -4.98 118.95 114.58 3gtm s ARG 118 Ca -0.05 -0.61 0.11 0.00 -0.52 0.00 0.00 55.73 54.65 3gtm s ARG 118 Cb -0.03 -0.06 0.70 0.00 0.52 0.00 0.00 34.95 36.07 3gtm s ARG 118 CO 0.01 -0.00 1.73 2.41 0.02 0.00 0.00 175.30 179.47 3gtm n THR 119 N 1.69 2.83 -0.01 0.02 -1.04 -1.26 -5.09 114.28 111.42 3gtm n THR 119 Ca -0.22 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 60.00 3gtm n THR 119 Cb 0.55 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 3gtm n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43