#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gm0 s VAL 10 N 0.00 -0.12 0.01 3.84 0.11 -1.26 -0.74 120.40 122.25 3gm0 s VAL 10 Ca 0.00 0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.14 3gm0 s VAL 10 Cb 0.00 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.98 3gm0 s VAL 10 CO 0.00 0.02 -0.15 -1.10 -3.33 0.00 0.00 175.10 170.54 3gm0 s GLN 11 N 1.71 1.10 0.05 1.54 -0.21 0.23 -4.95 119.66 119.12 3gm0 s GLN 11 Ca -0.09 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 54.69 3gm0 s GLN 11 Cb -0.07 -1.09 -0.02 0.00 1.00 0.00 0.00 33.01 32.82 3gm0 s GLN 11 CO -0.17 0.29 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.64 3gm0 s LEU 12 N -0.72 2.21 -0.05 2.90 1.43 -1.26 -0.19 118.68 123.00 3gm0 s LEU 12 Ca 0.04 -0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3gm0 s LEU 12 Cb -0.07 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.62 3gm0 s LEU 12 CO 0.00 -0.01 0.12 -1.58 0.23 0.00 0.00 176.35 175.11 3gm0 s GLN 13 N -1.37 0.10 0.05 1.70 0.74 -0.74 -3.76 119.66 116.37 3gm0 s GLN 13 Ca -0.00 0.27 -0.09 0.00 0.05 0.00 0.00 55.36 55.59 3gm0 s GLN 13 Cb -0.09 -0.09 -0.05 0.00 1.10 0.00 0.00 33.01 33.88 3gm0 s GLN 13 CO 0.02 -0.11 0.36 -1.21 -0.55 0.00 0.00 175.29 173.80 3gm0 s GLU 14 N 0.72 3.71 -0.06 1.67 8.01 -1.26 -1.02 118.70 130.47 3gm0 s GLU 14 Ca -0.05 0.11 -0.05 0.00 0.01 0.00 0.00 54.97 54.99 3gm0 s GLU 14 Cb -0.07 -3.04 0.02 0.00 -4.31 0.00 0.00 34.13 26.73 3gm0 s GLU 14 CO -0.03 0.60 0.15 -1.54 0.01 0.00 0.00 175.26 174.45 3gm0 s SER 15 N -1.69 -0.15 0.00 -0.19 1.04 0.03 -4.62 113.70 108.12 3gm0 s SER 15 Ca 0.30 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.04 3gm0 s SER 15 Cb -0.14 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.27 3gm0 s SER 15 CO 0.17 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.93 3gm0 n GLY 16 N 3.28 1.36 3.57 7.32 0.00 -1.26 -1.14 105.19 118.31 3gm0 n GLY 16 Ca -0.16 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 3gm0 n GLY 16 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gm0 n PRO 17 N -0.90 1.20 0.03 1.61 -0.02 -1.26 -4.92 135.00 130.74 3gm0 n PRO 17 Ca 0.00 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3gm0 n PRO 17 Cb 0.00 -1.85 0.11 0.00 -0.02 0.00 0.00 33.50 31.74 3gm0 n PRO 17 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3gm0 n SER 18 N 0.96 0.63 -3.79 2.55 3.41 -1.26 -4.60 113.62 111.50 3gm0 n SER 18 Ca 0.10 -0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.41 3gm0 n SER 18 Cb 0.36 0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 64.68 3gm0 n SER 18 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gm0 s LEU 19 N -3.72 1.15 0.05 1.04 2.96 -1.26 0.25 118.68 119.16 3gm0 s LEU 19 Ca 0.06 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 3gm0 s LEU 19 Cb 0.15 0.55 -0.03 0.00 0.50 0.00 0.00 46.19 47.36 3gm0 s LEU 19 CO 0.76 -0.09 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.95 3gm0 s VAL 20 N 0.40 0.49 0.05 1.68 1.01 0.15 -4.88 120.40 119.31 3gm0 s VAL 20 Ca -0.03 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.63 3gm0 s VAL 20 Cb -0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3gm0 s VAL 20 CO -0.02 -0.56 0.24 -0.54 0.00 0.00 0.00 175.10 174.22 3gm0 s LYS 21 N -2.26 3.48 0.79 2.72 1.02 -1.26 0.90 119.74 125.13 3gm0 s LYS 21 Ca -0.05 -0.32 -0.17 0.00 0.02 0.00 0.00 55.97 55.45 3gm0 s LYS 21 Cb -0.05 -3.02 -0.10 0.00 -0.52 0.00 0.00 37.83 34.13 3gm0 s LYS 21 CO -0.02 0.60 -0.16 -2.30 -0.92 0.00 0.00 175.35 172.56 3gm0 n PRO 22 N 0.47 0.04 0.00 -1.68 -0.02 -1.26 -1.83 135.00 130.72 3gm0 n PRO 22 Ca -0.06 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3gm0 n PRO 22 Cb 0.52 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 3gm0 n PRO 22 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3gm0 n SER 23 N 1.78 0.00 -4.64 2.55 7.64 -0.95 -4.88 113.62 115.11 3gm0 n SER 23 Ca 0.05 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.64 3gm0 n SER 23 Cb 0.52 -0.20 0.18 0.00 -1.01 0.00 0.00 64.21 63.71 3gm0 n SER 23 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3gm0 s GLN 24 N 0.00 0.36 -0.42 1.43 0.74 -0.76 -3.73 119.66 117.27 3gm0 s GLN 24 Ca 0.00 0.80 -0.11 0.00 0.05 0.00 0.00 55.36 56.11 3gm0 s GLN 24 Cb 0.00 -1.71 0.07 0.00 1.10 0.00 0.00 33.01 32.47 3gm0 s GLN 24 CO 0.00 -2.85 0.27 0.99 -0.55 0.00 0.00 175.29 173.15 3gm0 s THR 25 N -2.78 4.46 0.22 -0.34 2.01 -1.26 -3.10 115.64 114.84 3gm0 s THR 25 Ca 0.66 -1.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.11 3gm0 s THR 25 Cb -0.21 -3.67 -0.10 0.00 0.01 0.00 0.00 72.50 68.53 3gm0 s THR 25 CO 0.59 -0.47 1.53 -0.22 -0.69 0.00 0.00 174.62 175.36 3gm0 s LEU 26 N 1.49 4.37 -0.03 4.42 0.20 0.39 -4.81 118.68 124.70 3gm0 s LEU 26 Ca 0.03 2.69 0.01 0.00 0.69 0.00 0.00 54.13 57.55 3gm0 s LEU 26 Cb -0.22 -3.61 0.02 0.00 -0.43 0.00 0.00 46.19 41.94 3gm0 s LEU 26 CO 0.04 -0.79 -0.04 -0.44 -0.29 0.00 0.00 176.35 174.82 3gm0 s SER 27 N 0.75 0.80 0.09 3.68 0.01 -1.26 -0.49 113.70 117.28 3gm0 s SER 27 Ca 0.65 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.84 3gm0 s SER 27 Cb -0.44 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 65.41 3gm0 s SER 27 CO 0.38 -0.03 -0.11 -0.76 0.41 0.00 0.00 173.24 173.13 3gm0 s LEU 28 N 0.71 2.38 0.01 2.44 1.43 -0.14 -4.50 118.68 121.01 3gm0 s LEU 28 Ca -0.09 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.31 3gm0 s LEU 28 Cb -0.12 -0.34 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 3gm0 s LEU 28 CO -0.00 -0.22 -0.21 -0.89 0.23 0.00 0.00 176.35 175.25 3gm0 s THR 29 N -2.19 1.71 -0.28 5.49 2.01 -0.29 -1.54 115.64 120.55 3gm0 s THR 29 Ca 0.04 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.02 3gm0 s THR 29 Cb -0.04 -1.45 0.07 0.00 0.01 0.00 0.00 72.50 71.09 3gm0 s THR 29 CO 0.01 0.37 -0.06 0.00 -0.69 0.00 0.00 174.62 174.25 3gm0 s SER 31 N 1.07 6.53 -0.16 0.00 0.01 -0.19 -2.55 113.70 118.42 3gm0 s SER 31 Ca -0.04 0.48 -0.07 0.00 1.31 0.00 0.00 55.95 57.63 3gm0 s SER 31 Cb -0.20 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3gm0 s SER 31 CO -0.05 -0.50 0.08 0.68 0.41 0.00 0.00 173.24 173.85 3gm0 s VAL 32 N 2.67 4.93 0.03 3.43 -7.23 -1.07 -1.79 120.40 121.37 3gm0 s VAL 32 Ca 0.27 0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.47 3gm0 s VAL 32 Cb -0.15 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 3gm0 s VAL 32 CO 0.12 0.51 -0.09 0.42 -0.31 0.00 0.00 175.10 175.75 3gm0 s THR 33 N -0.09 0.65 -3.10 5.32 -4.23 0.73 -4.87 115.64 110.06 3gm0 s THR 33 Ca 0.07 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 3gm0 s THR 33 Cb -0.12 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.08 3gm0 s THR 33 CO 0.01 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3gm0 n GLY 34 N 1.95 0.77 3.74 3.99 0.00 -1.26 0.75 105.19 115.13 3gm0 n GLY 34 Ca -0.19 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.42 3gm0 n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gm0 s ASP 35 N -4.00 4.88 0.81 1.61 1.01 0.08 -4.97 116.67 116.10 3gm0 s ASP 35 Ca 0.00 2.55 -0.11 0.00 0.71 0.00 0.00 52.55 55.70 3gm0 s ASP 35 Cb 0.00 -2.61 0.08 0.00 1.01 0.00 0.00 42.92 41.39 3gm0 s ASP 35 CO 0.00 -1.81 1.09 -0.94 0.21 0.00 0.00 175.17 173.72 3gm0 s SER 36 N -1.42 4.29 0.05 0.27 1.04 -1.26 -4.90 113.70 111.78 3gm0 s SER 36 Ca 0.80 1.47 0.04 0.00 0.48 0.00 0.00 55.95 58.73 3gm0 s SER 36 Cb -0.35 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 3gm0 s SER 36 CO 0.38 -2.12 -0.11 -0.69 0.98 0.00 0.00 173.24 171.68 3gm0 s VAL 37 N -3.04 0.83 -2.11 5.02 1.01 -1.26 -5.04 120.40 115.81 3gm0 s VAL 37 Ca 0.61 -1.16 0.23 0.00 0.00 0.00 0.00 61.98 61.66 3gm0 s VAL 37 Cb -0.16 -0.84 0.60 0.00 0.00 0.00 0.00 36.38 35.99 3gm0 s VAL 37 CO 0.55 -0.28 1.51 1.07 0.00 0.00 0.00 175.10 177.96 3gm0 n THR 38 N 1.43 0.88 -3.90 3.92 5.66 -1.26 -5.01 114.28 116.00 3gm0 n THR 38 Ca -0.22 -0.93 0.00 0.00 -3.05 0.00 0.00 64.05 59.86 3gm0 n THR 38 Cb 0.54 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 69.92 3gm0 n THR 38 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3gm0 n SER 39 N 1.61 -0.12 0.00 1.09 3.41 -1.26 -5.07 113.62 113.29 3gm0 n SER 39 Ca 0.23 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 3gm0 n SER 39 Cb 0.62 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 3gm0 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gm0 n GLY 40 N -0.09 -1.79 3.01 5.00 0.00 -1.26 -4.78 105.19 105.27 3gm0 n GLY 40 Ca 0.01 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.70 3gm0 n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gm0 s TYR 41 N -0.67 0.53 -0.26 1.61 1.51 -0.22 -1.11 117.35 118.75 3gm0 s TYR 41 Ca 0.00 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 3gm0 s TYR 41 Cb 0.00 -0.33 0.03 0.00 -0.11 0.00 0.00 41.96 41.55 3gm0 s TYR 41 CO 0.00 -0.06 -0.04 -1.58 -1.11 0.00 0.00 175.55 172.76 3gm0 s TRP 42 N -0.85 3.09 0.24 2.71 0.51 -0.58 -1.69 118.94 122.38 3gm0 s TRP 42 Ca -0.05 -1.52 0.08 0.00 -2.12 0.00 0.00 56.10 52.48 3gm0 s TRP 42 Cb -0.07 -2.08 -0.04 0.00 -0.81 0.00 0.00 33.47 30.47 3gm0 s TRP 42 CO 0.00 -0.72 0.11 -1.12 -0.51 0.00 0.00 176.95 174.72 3gm0 s SER 43 N 1.34 5.16 -0.10 2.95 0.01 0.65 -1.65 113.70 122.06 3gm0 s SER 43 Ca -0.00 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.92 3gm0 s SER 43 Cb -0.17 -1.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.85 3gm0 s SER 43 CO -0.03 -0.01 -0.22 0.26 0.41 0.00 0.00 173.24 173.65 3gm0 s TRP 44 N -2.13 2.59 -0.02 2.43 0.52 -0.70 -0.44 118.94 121.19 3gm0 s TRP 44 Ca 0.32 -0.89 0.00 0.00 0.02 0.00 0.00 56.10 55.55 3gm0 s TRP 44 Cb -0.08 -1.72 0.02 0.00 -1.15 0.00 0.00 33.47 30.55 3gm0 s TRP 44 CO 0.23 -0.33 0.01 0.42 0.02 0.00 0.00 176.95 177.29 3gm0 s ILE 45 N 0.23 0.08 0.22 2.03 1.01 0.77 -1.89 121.20 123.66 3gm0 s ILE 45 Ca -0.14 0.09 0.11 0.00 0.00 0.00 0.00 60.65 60.70 3gm0 s ILE 45 Cb -0.17 -0.16 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 3gm0 s ILE 45 CO 0.07 0.09 -0.16 0.00 0.00 0.00 0.00 174.94 174.95 3gm0 s ARG 46 N 0.73 1.81 -0.12 2.79 1.70 -0.75 0.17 118.95 125.28 3gm0 s ARG 46 Ca -0.07 -1.51 -0.00 0.00 -0.47 0.00 0.00 55.73 53.68 3gm0 s ARG 46 Cb -0.10 -1.95 0.02 0.00 -0.57 0.00 0.00 34.95 32.36 3gm0 s ARG 46 CO -0.02 0.38 -0.08 -1.14 -1.08 0.00 0.00 175.30 173.37 3gm0 s GLN 47 N -3.09 1.60 0.58 3.89 0.74 0.22 -0.58 119.66 123.02 3gm0 s GLN 47 Ca 0.26 -0.28 -0.06 0.00 0.05 0.00 0.00 55.36 55.32 3gm0 s GLN 47 Cb -0.07 -1.64 -0.00 0.00 1.10 0.00 0.00 33.01 32.40 3gm0 s GLN 47 CO 0.14 -0.27 0.90 -0.06 -0.55 0.00 0.00 175.29 175.46 3gm0 s PHE 48 N 1.69 3.32 0.30 1.67 0.40 -0.72 -1.26 117.98 123.38 3gm0 s PHE 48 Ca 0.05 0.73 -0.30 0.00 -0.60 0.00 0.00 56.93 56.81 3gm0 s PHE 48 Cb -0.13 -2.69 -0.11 0.00 0.51 0.00 0.00 43.02 40.60 3gm0 s PHE 48 CO -0.08 -0.76 1.52 -2.14 0.70 0.00 0.00 175.22 174.46 3gm0 s PRO 49 N -4.99 4.17 0.00 0.24 0.02 -1.26 0.24 135.00 133.42 3gm0 s PRO 49 Ca 0.53 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.03 3gm0 s PRO 49 Cb -0.11 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3gm0 s PRO 49 CO 0.46 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 177.00 3gm0 n GLY 50 N 1.85 2.79 2.10 0.52 0.00 -1.26 -4.63 105.19 106.56 3gm0 n GLY 50 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 3gm0 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gm0 n ASN 51 N 0.00 -2.46 -4.72 1.61 3.02 0.14 -5.04 115.26 107.82 3gm0 n ASN 51 Ca 0.00 0.03 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 3gm0 n ASN 51 Cb 0.00 -1.44 -0.04 0.00 -0.61 0.00 0.00 39.78 37.69 3gm0 n ASN 51 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3gm0 s LYS 52 N -3.72 4.60 -0.12 3.52 2.47 -1.23 -4.83 119.74 120.42 3gm0 s LYS 52 Ca 0.00 1.38 -0.11 0.00 -1.56 0.00 0.00 55.97 55.68 3gm0 s LYS 52 Cb 0.00 -3.43 -0.05 0.00 -1.46 0.00 0.00 37.83 32.90 3gm0 s LYS 52 CO 0.00 0.06 0.23 -0.51 0.16 0.00 0.00 175.35 175.29 3gm0 s LEU 53 N 0.60 4.33 -0.17 5.43 1.43 -1.26 -1.75 118.68 127.30 3gm0 s LEU 53 Ca 0.49 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 3gm0 s LEU 53 Cb -0.22 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.78 3gm0 s LEU 53 CO 0.28 0.26 -0.13 -0.62 0.23 0.00 0.00 176.35 176.38 3gm0 s ASP 54 N -0.36 2.93 -0.27 2.29 3.68 0.25 -4.47 116.67 120.71 3gm0 s ASP 54 Ca 0.16 -0.63 -0.29 0.00 2.13 0.00 0.00 52.55 53.92 3gm0 s ASP 54 Cb -0.13 -1.19 0.01 0.00 -1.45 0.00 0.00 42.92 40.16 3gm0 s ASP 54 CO 0.05 -0.09 1.16 -0.47 0.13 0.00 0.00 175.17 175.94 3gm0 s TYR 55 N 1.46 3.02 -0.11 -5.34 5.04 -1.26 -1.81 117.35 118.35 3gm0 s TYR 55 Ca 0.03 1.13 -0.11 0.00 -2.44 0.00 0.00 57.07 55.68 3gm0 s TYR 55 Cb -0.14 -3.63 -0.26 0.00 0.35 0.00 0.00 41.96 38.27 3gm0 s TYR 55 CO -0.10 -1.11 0.44 0.52 -1.34 0.00 0.00 175.55 173.96 3gm0 h MET 56 N 8.28 0.26 0.00 4.97 2.86 -1.76 -3.42 114.93 126.12 3gm0 h MET 56 Ca -0.23 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 56.97 3gm0 h MET 56 Cb 1.08 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.90 3gm0 h MET 56 CO 1.01 1.21 0.00 0.41 1.06 0.00 0.00 176.91 180.60 3gm0 n GLY 57 N 1.86 -1.05 3.75 8.32 0.00 -1.22 -0.95 105.19 115.90 3gm0 n GLY 57 Ca -0.29 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 3gm0 n GLY 57 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gm0 s TYR 58 N -2.90 0.20 -0.07 1.61 -0.85 -0.58 -1.72 117.35 113.04 3gm0 s TYR 58 Ca 0.00 -0.73 -0.03 0.00 -0.52 0.00 0.00 57.07 55.79 3gm0 s TYR 58 Cb 0.00 0.61 0.04 0.00 0.38 0.00 0.00 41.96 42.99 3gm0 s TYR 58 CO 0.00 -1.37 0.13 -1.50 -1.52 0.00 0.00 175.55 171.30 3gm0 s ILE 59 N -3.00 -0.18 0.76 -3.49 2.07 -0.66 -2.17 121.20 114.54 3gm0 s ILE 59 Ca 0.17 0.32 -0.10 0.00 -1.41 0.00 0.00 60.65 59.63 3gm0 s ILE 59 Cb -0.04 -0.24 0.17 0.00 0.13 0.00 0.00 42.46 42.47 3gm0 s ILE 59 CO 0.11 0.13 1.03 -1.54 -1.91 0.00 0.00 174.94 172.77 3gm0 n SER 60 N 4.99 0.39 -0.05 4.50 3.41 0.31 -1.52 113.62 125.65 3gm0 n SER 60 Ca -0.11 -1.57 0.12 0.00 -0.26 0.00 0.00 58.87 57.06 3gm0 n SER 60 Cb 0.50 -0.76 0.52 0.00 -0.26 0.00 0.00 64.21 64.21 3gm0 n SER 60 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3gm0 h TYR 61 N -1.33 0.38 -0.58 7.33 3.20 -1.42 -1.38 116.97 123.16 3gm0 h TYR 61 Ca -0.34 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.49 3gm0 h TYR 61 Cb 1.00 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 3gm0 h TYR 61 CO 0.00 0.18 0.07 0.54 -1.64 0.00 0.00 178.16 177.31 3gm0 n ARG 62 N -4.47 4.38 0.00 1.82 1.74 -1.26 -4.94 116.66 113.92 3gm0 n ARG 62 Ca 0.09 -3.12 0.00 0.00 -0.77 0.00 0.00 57.85 54.05 3gm0 n ARG 62 Cb 0.36 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 3gm0 n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gm0 n GLY 63 N 0.28 2.83 3.67 -0.13 0.00 -0.52 -4.99 105.19 106.33 3gm0 n GLY 63 Ca 0.31 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 3gm0 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gm0 n SER 64 N 0.00 2.94 -4.54 1.61 7.64 -1.26 -4.54 113.62 115.47 3gm0 n SER 64 Ca 0.00 1.12 -0.24 0.00 1.01 0.00 0.00 58.87 60.76 3gm0 n SER 64 Cb 0.00 -1.44 -0.09 0.00 -1.01 0.00 0.00 64.21 61.67 3gm0 n SER 64 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gm0 s THR 65 N 0.27 2.90 -0.16 0.44 -4.23 -1.26 -0.53 115.64 113.07 3gm0 s THR 65 Ca 0.71 -2.17 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 3gm0 s THR 65 Cb -0.65 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 70.73 3gm0 s THR 65 CO 0.46 -0.37 0.38 -0.47 -0.54 0.00 0.00 174.62 174.07 3gm0 s TYR 66 N -2.38 -0.59 0.11 3.99 5.04 -0.92 -4.98 117.35 117.62 3gm0 s TYR 66 Ca 0.30 1.24 0.09 0.00 -2.44 0.00 0.00 57.07 56.26 3gm0 s TYR 66 Cb -0.06 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.43 3gm0 s TYR 66 CO 0.17 -0.36 -0.20 0.71 -1.34 0.00 0.00 175.55 174.53 3gm0 s TYR 67 N 1.73 2.48 -0.06 4.97 4.12 -1.26 -1.53 117.35 127.80 3gm0 s TYR 67 Ca -0.07 -0.29 -0.30 0.00 0.02 0.00 0.00 57.07 56.43 3gm0 s TYR 67 Cb -0.10 -1.35 -0.05 0.00 -1.52 0.00 0.00 41.96 38.95 3gm0 s TYR 67 CO -0.12 0.35 1.54 1.21 0.02 0.00 0.00 175.55 178.54 3gm0 s ASN 68 N -1.98 6.75 0.50 2.29 3.84 -0.13 -4.84 114.94 121.37 3gm0 s ASN 68 Ca 0.16 2.12 0.42 0.00 0.21 0.00 0.00 52.86 55.78 3gm0 s ASN 68 Cb -0.10 -2.54 1.62 0.00 -0.55 0.00 0.00 41.25 39.68 3gm0 s ASN 68 CO 0.08 -0.86 1.58 -0.65 -2.79 0.00 0.00 177.10 174.47 3gm0 h PRO 69 N 8.93 0.01 0.00 0.43 0.11 -1.91 0.56 132.00 140.13 3gm0 h PRO 69 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3gm0 h PRO 69 Cb 1.16 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gm0 h PRO 69 CO 0.95 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.40 3gm0 h SER 70 N 0.01 0.00 0.00 -2.05 4.64 -1.92 -2.95 113.55 111.28 3gm0 h SER 70 Ca 0.91 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 62.22 3gm0 h SER 70 Cb 3.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 65.39 3gm0 h SER 70 CO -0.23 0.00 -1.46 0.18 -0.87 0.00 0.00 176.83 174.45 3gm0 n LEU 71 N -2.51 0.00 0.00 5.97 4.32 0.19 -4.45 117.00 120.52 3gm0 n LEU 71 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 3gm0 n LEU 71 Cb 0.22 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 3gm0 n LEU 71 CO 0.21 0.01 0.00 1.17 -1.22 0.00 0.00 177.39 177.55 3gm0 n LYS 72 N -1.86 0.00 0.15 3.23 3.00 -0.89 0.36 118.16 122.15 3gm0 n LYS 72 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3gm0 n LYS 72 Cb 0.28 0.00 0.27 0.00 0.00 0.00 0.00 35.03 35.58 3gm0 n LYS 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3gm0 h SER 73 N 0.00 0.07 0.09 3.14 4.64 -1.84 -3.33 113.55 116.32 3gm0 h SER 73 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3gm0 h SER 73 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3gm0 h SER 73 CO 0.00 0.51 -0.96 0.54 -0.87 0.00 0.00 176.83 176.04 3gm0 n ARG 74 N -4.00 0.04 -4.07 4.77 1.74 0.16 -4.98 116.66 110.31 3gm0 n ARG 74 Ca -0.02 -0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.82 3gm0 n ARG 74 Cb 0.48 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 3gm0 n ARG 74 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3gm0 s ILE 75 N -3.03 4.66 -0.28 0.55 2.07 -1.12 -2.11 121.20 121.95 3gm0 s ILE 75 Ca 0.08 -1.20 -0.17 0.00 -1.41 0.00 0.00 60.65 57.95 3gm0 s ILE 75 Cb 0.16 -3.48 0.11 0.00 0.13 0.00 0.00 42.46 39.38 3gm0 s ILE 75 CO 0.84 -0.27 0.82 -0.94 -1.91 0.00 0.00 174.94 173.49 3gm0 s SER 76 N -3.63 -0.75 -0.14 4.50 1.04 -1.10 -4.96 113.70 108.66 3gm0 s SER 76 Ca 0.33 1.21 0.02 0.00 0.48 0.00 0.00 55.95 57.99 3gm0 s SER 76 Cb -0.09 1.30 0.01 0.00 0.10 0.00 0.00 66.02 67.34 3gm0 s SER 76 CO 0.26 -0.19 -0.20 -0.63 0.98 0.00 0.00 173.24 173.45 3gm0 s ILE 77 N 1.40 1.95 0.13 -1.02 1.01 -1.26 -2.51 121.20 120.90 3gm0 s ILE 77 Ca -0.09 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.73 3gm0 s ILE 77 Cb -0.04 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3gm0 s ILE 77 CO -0.16 0.53 -0.17 0.42 0.00 0.00 0.00 174.94 175.55 3gm0 s THR 78 N 0.94 1.59 0.35 2.92 -4.23 -1.15 -4.92 115.64 111.14 3gm0 s THR 78 Ca -0.05 -1.75 0.08 0.00 -1.18 0.00 0.00 61.69 58.79 3gm0 s THR 78 Cb -0.15 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 3gm0 s THR 78 CO -0.04 -0.30 0.16 0.00 -0.54 0.00 0.00 174.62 173.90 3gm0 s ARG 79 N -2.54 2.38 -0.43 3.99 1.70 -1.26 0.83 118.95 123.61 3gm0 s ARG 79 Ca 0.11 -1.57 0.05 0.00 -0.47 0.00 0.00 55.73 53.85 3gm0 s ARG 79 Cb -0.06 -2.18 0.17 0.00 -0.57 0.00 0.00 34.95 32.31 3gm0 s ARG 79 CO 0.05 0.08 0.51 0.34 -1.08 0.00 0.00 175.30 175.20 3gm0 s ASP 80 N -3.87 0.06 0.13 -2.89 -1.08 0.29 -4.94 116.67 104.38 3gm0 s ASP 80 Ca 0.38 -1.92 -0.19 0.00 -0.52 0.00 0.00 52.55 50.31 3gm0 s ASP 80 Cb -0.02 0.91 -0.02 0.00 -1.46 0.00 0.00 42.92 42.33 3gm0 s ASP 80 CO 0.23 -0.16 1.75 0.71 0.52 0.00 0.00 175.17 178.22 3gm0 h THR 81 N 4.91 0.93 -0.97 1.71 1.35 -1.96 -1.67 112.91 117.21 3gm0 h THR 81 Ca 0.11 -0.06 0.31 0.00 -0.55 0.00 0.00 66.41 66.22 3gm0 h THR 81 Cb 1.05 0.73 -0.15 0.00 -1.73 0.00 0.00 68.15 68.05 3gm0 h THR 81 CO 0.17 0.03 0.44 0.77 -0.25 0.00 0.00 175.52 176.69 3gm0 h SER 82 N 0.19 0.29 -0.30 5.36 4.64 -1.96 0.43 113.55 122.20 3gm0 h SER 82 Ca 0.11 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3gm0 h SER 82 Cb 0.08 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3gm0 h SER 82 CO -0.11 -0.20 0.00 2.29 -0.87 0.00 0.00 176.83 177.94 3gm0 n LYS 83 N -5.16 3.16 -3.97 4.77 2.85 -1.10 -5.00 118.16 113.71 3gm0 n LYS 83 Ca 0.30 -2.88 -0.41 0.00 -1.05 0.00 0.00 58.31 54.27 3gm0 n LYS 83 Cb 0.94 -1.89 0.02 0.00 -0.65 0.00 0.00 35.03 33.44 3gm0 n LYS 83 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gm0 n ASN 84 N -0.37 -4.46 -3.99 -5.58 3.02 0.15 -4.89 115.26 99.15 3gm0 n ASN 84 Ca 0.22 -1.19 -0.08 0.00 -0.03 0.00 0.00 54.58 53.50 3gm0 n ASN 84 Cb 0.93 -1.89 -0.09 0.00 -0.61 0.00 0.00 39.78 38.12 3gm0 n ASN 84 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3gm0 s GLN 85 N -6.76 0.66 0.04 3.52 -0.21 -0.74 -2.60 119.66 113.56 3gm0 s GLN 85 Ca 0.39 -1.03 0.02 0.00 0.02 0.00 0.00 55.36 54.77 3gm0 s GLN 85 Cb -0.21 0.25 -0.02 0.00 1.00 0.00 0.00 33.01 34.03 3gm0 s GLN 85 CO 0.94 -0.16 -0.08 0.08 -2.12 0.00 0.00 175.29 173.95 3gm0 s VAL 86 N -3.53 0.60 0.20 1.09 1.01 -1.06 -0.54 120.40 118.17 3gm0 s VAL 86 Ca 0.03 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.06 3gm0 s VAL 86 Cb 0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 3gm0 s VAL 86 CO -0.09 -0.32 -0.16 -0.31 0.00 0.00 0.00 175.10 174.22 3gm0 s TYR 87 N -1.26 1.81 -0.07 5.22 1.51 0.24 -1.56 117.35 123.24 3gm0 s TYR 87 Ca -0.08 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.52 3gm0 s TYR 87 Cb -0.09 -0.84 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 3gm0 s TYR 87 CO 0.01 0.40 -0.24 -1.17 -1.11 0.00 0.00 175.55 173.44 3gm0 s LEU 88 N -3.17 2.04 -0.03 -1.29 0.20 -0.59 -2.94 118.68 112.90 3gm0 s LEU 88 Ca 0.22 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.54 3gm0 s LEU 88 Cb -0.03 -1.32 0.03 0.00 -0.43 0.00 0.00 46.19 44.44 3gm0 s LEU 88 CO 0.08 0.21 0.00 -1.58 -0.29 0.00 0.00 176.35 174.77 3gm0 s GLN 89 N 0.01 0.33 -0.12 1.98 0.74 -1.04 -0.96 119.66 120.59 3gm0 s GLN 89 Ca -0.08 0.09 -0.04 0.00 0.05 0.00 0.00 55.36 55.38 3gm0 s GLN 89 Cb -0.15 -0.54 0.06 0.00 1.10 0.00 0.00 33.01 33.48 3gm0 s GLN 89 CO 0.05 -0.16 0.13 -1.17 -0.55 0.00 0.00 175.29 173.59 3gm0 s LEU 90 N 1.16 0.10 0.31 3.68 2.96 0.36 -2.72 118.68 124.52 3gm0 s LEU 90 Ca -0.08 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3gm0 s LEU 90 Cb -0.13 0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.55 3gm0 s LEU 90 CO -0.02 -0.29 0.55 -0.54 -1.32 0.00 0.00 176.35 174.73 3gm0 s LYS 91 N 2.22 3.57 -1.14 1.98 1.02 -0.90 -0.46 119.74 126.03 3gm0 s LYS 91 Ca 0.04 -0.12 -0.04 0.00 0.02 0.00 0.00 55.97 55.87 3gm0 s LYS 91 Cb -0.14 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3gm0 s LYS 91 CO -0.07 0.18 0.97 0.43 -0.92 0.00 0.00 175.35 175.94 3gm0 n SER 92 N -1.27 -3.84 -4.72 2.83 7.64 -1.18 -4.83 113.62 108.24 3gm0 n SER 92 Ca -0.03 -0.52 -0.34 0.00 1.01 0.00 0.00 58.87 58.98 3gm0 n SER 92 Cb 0.55 -4.61 0.09 0.00 -1.01 0.00 0.00 64.21 59.22 3gm0 n SER 92 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3gm0 s VAL 93 N -3.31 2.32 0.28 0.44 -7.23 -1.18 -4.62 120.40 107.10 3gm0 s VAL 93 Ca 0.24 0.16 -0.07 0.00 -1.81 0.00 0.00 61.98 60.51 3gm0 s VAL 93 Cb -0.11 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 3gm0 s VAL 93 CO 0.65 -0.08 0.42 -0.94 -0.31 0.00 0.00 175.10 174.84 3gm0 s SER 94 N -1.97 0.36 0.00 4.85 1.04 -1.26 -2.25 113.70 114.47 3gm0 s SER 94 Ca 0.75 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3gm0 s SER 94 Cb -0.30 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3gm0 s SER 94 CO 0.44 -1.16 0.87 -1.54 0.98 0.00 0.00 173.24 172.84 3gm0 n SER 95 N -0.79 0.00 -0.07 7.02 3.41 -1.26 -0.02 113.62 121.91 3gm0 n SER 95 Ca 0.00 0.38 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 3gm0 n SER 95 Cb 0.62 -0.38 0.43 0.00 -0.26 0.00 0.00 64.21 64.62 3gm0 n SER 95 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gm0 n GLU 96 N -1.37 0.33 -0.05 4.33 1.02 -1.26 -3.45 120.64 120.18 3gm0 n GLU 96 Ca 0.00 -0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.11 3gm0 n GLU 96 Cb 0.07 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.17 3gm0 n GLU 96 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gm0 n ASP 97 N -1.21 2.99 -4.67 1.62 10.43 0.98 -4.91 116.55 121.77 3gm0 n ASP 97 Ca 0.09 -1.96 -0.42 0.00 2.57 0.00 0.00 54.79 55.07 3gm0 n ASP 97 Cb 0.32 -0.07 -0.03 0.00 1.84 0.00 0.00 41.12 43.19 3gm0 n ASP 97 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3gm0 s THR 98 N -1.86 3.96 0.00 -3.53 2.01 -1.22 -4.89 115.64 110.10 3gm0 s THR 98 Ca 0.32 1.24 0.00 0.00 0.31 0.00 0.00 61.69 63.56 3gm0 s THR 98 Cb 0.21 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.92 3gm0 s THR 98 CO 0.31 -0.06 0.00 0.00 -0.69 0.00 0.00 174.62 174.18 3gm0 n ALA 99 N 6.10 0.00 -2.71 7.40 0.00 -0.61 -4.53 120.51 126.17 3gm0 n ALA 99 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.18 3gm0 n ALA 99 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 3gm0 n ALA 99 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3gm0 s THR 100 N -2.00 4.99 -0.15 0.00 -1.32 -0.39 -1.91 115.64 114.87 3gm0 s THR 100 Ca 0.00 1.57 -0.07 0.00 -1.21 0.00 0.00 61.69 61.97 3gm0 s THR 100 Cb 0.00 -4.10 -0.04 0.00 -1.51 0.00 0.00 72.50 66.85 3gm0 s THR 100 CO 0.00 0.20 0.11 -0.31 -2.21 0.00 0.00 174.62 172.41 3gm0 s TYR 101 N 1.06 3.44 0.10 9.09 1.51 -0.84 -0.61 117.35 131.10 3gm0 s TYR 101 Ca 0.40 0.36 0.08 0.00 -1.01 0.00 0.00 57.07 56.90 3gm0 s TYR 101 Cb -0.18 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 3gm0 s TYR 101 CO 0.19 0.48 -0.21 0.71 -1.11 0.00 0.00 175.55 175.61 3gm0 s TYR 102 N -0.38 1.82 0.09 2.71 1.51 0.13 -1.97 117.35 121.25 3gm0 s TYR 102 Ca 0.11 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.83 3gm0 s TYR 102 Cb -0.12 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 3gm0 s TYR 102 CO 0.01 0.21 -0.18 0.00 -1.11 0.00 0.00 175.55 174.49 3gm0 s SER 104 N -1.90 0.05 -0.05 0.00 0.15 0.41 -1.84 113.70 110.53 3gm0 s SER 104 Ca 0.17 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.62 3gm0 s SER 104 Cb -0.11 0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 3gm0 s SER 104 CO 0.08 -0.40 -0.25 -0.47 1.20 0.00 0.00 173.24 173.40 3gm0 s TYR 105 N -1.64 2.41 -0.06 3.44 5.04 0.11 -0.25 117.35 126.39 3gm0 s TYR 105 Ca -0.13 -0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 53.81 3gm0 s TYR 105 Cb -0.06 -1.57 0.03 0.00 0.35 0.00 0.00 41.96 40.70 3gm0 s TYR 105 CO 0.00 -0.17 0.15 0.12 -1.34 0.00 0.00 175.55 174.31 3gm0 s PHE 106 N -0.28 -0.17 -0.35 4.97 5.36 -0.68 -1.42 117.98 125.41 3gm0 s PHE 106 Ca -0.00 0.47 -0.11 0.00 -0.96 0.00 0.00 56.93 56.33 3gm0 s PHE 106 Cb -0.13 -0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.53 3gm0 s PHE 106 CO 0.03 -0.14 0.20 0.34 -1.46 0.00 0.00 175.22 174.18 3gm0 s ASP 107 N 0.84 5.74 0.47 6.13 -1.08 -1.26 -1.06 116.67 126.44 3gm0 s ASP 107 Ca -0.06 -0.72 0.29 0.00 -0.52 0.00 0.00 52.55 51.54 3gm0 s ASP 107 Cb -0.08 -2.04 1.36 0.00 -1.46 0.00 0.00 42.92 40.70 3gm0 s ASP 107 CO -0.04 -0.29 1.76 0.77 0.52 0.00 0.00 175.17 177.88 3gm0 h SER 108 N 8.43 0.21 0.90 -0.34 4.64 -1.94 0.47 113.55 125.93 3gm0 h SER 108 Ca -0.29 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3gm0 h SER 108 Cb 1.13 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3gm0 h SER 108 CO 0.65 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 177.09 3gm0 n ASP 109 N -4.42 0.18 -3.40 4.97 8.00 -1.26 -4.06 116.55 116.56 3gm0 n ASP 109 Ca 0.28 0.53 -0.26 0.00 0.71 0.00 0.00 54.79 56.04 3gm0 n ASP 109 Cb 1.15 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 41.60 3gm0 n ASP 109 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gm0 n ASP 110 N -1.68 2.47 0.16 -2.24 -0.08 0.17 -4.95 116.55 110.40 3gm0 n ASP 110 Ca 0.05 -3.16 0.17 0.00 -1.51 0.00 0.00 54.79 50.34 3gm0 n ASP 110 Cb 0.29 -0.66 0.58 0.00 2.34 0.00 0.00 41.12 43.67 3gm0 n ASP 110 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3gm0 h TYR 111 N 4.30 0.00 -0.00 -0.67 -1.99 -1.71 -2.69 116.97 114.20 3gm0 h TYR 111 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 3gm0 h TYR 111 Cb 0.74 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.47 3gm0 h TYR 111 CO 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 178.16 178.68 3gm0 n ALA 112 N -2.02 2.63 -2.90 3.88 0.00 -1.26 -4.87 120.51 115.96 3gm0 n ALA 112 Ca 0.06 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 3gm0 n ALA 112 Cb 0.77 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.70 3gm0 n ALA 112 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gm0 s MET 113 N -2.63 0.44 -0.11 0.00 -1.94 -1.02 -4.56 119.30 109.48 3gm0 s MET 113 Ca 0.25 -0.71 -0.10 0.00 -1.71 0.00 0.00 55.69 53.43 3gm0 s MET 113 Cb 0.20 -0.13 0.03 0.00 2.01 0.00 0.00 34.83 36.94 3gm0 s MET 113 CO 0.49 0.01 0.29 -2.00 -0.01 0.00 0.00 175.02 173.80 3gm0 s GLU 114 N -1.56 0.33 -0.15 2.03 2.12 -1.26 -4.54 118.70 115.66 3gm0 s GLU 114 Ca -0.12 0.42 -0.01 0.00 0.36 0.00 0.00 54.97 55.62 3gm0 s GLU 114 Cb -0.10 0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.41 3gm0 s GLU 114 CO -0.00 -0.05 -0.10 0.71 -0.54 0.00 0.00 175.26 175.27 3gm0 s TYR 115 N 0.28 2.87 0.19 5.30 1.51 -0.51 -4.76 117.35 122.23 3gm0 s TYR 115 Ca -0.01 -0.65 0.10 0.00 -1.01 0.00 0.00 57.07 55.49 3gm0 s TYR 115 Cb -0.03 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3gm0 s TYR 115 CO -0.01 -0.25 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.47 3gm0 s TRP 116 N 0.54 2.52 0.55 2.71 0.52 -1.26 0.08 118.94 124.60 3gm0 s TRP 116 Ca -0.07 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 55.81 3gm0 s TRP 116 Cb -0.15 -1.22 0.10 0.00 -1.15 0.00 0.00 33.47 31.05 3gm0 s TRP 116 CO 0.03 0.52 0.76 0.41 0.02 0.00 0.00 176.95 178.69 3gm0 n GLY 117 N 0.03 1.13 0.26 0.98 0.00 -0.77 -4.57 105.19 102.25 3gm0 n GLY 117 Ca -0.11 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.78 3gm0 n GLY 117 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3gm0 h GLN 118 N 0.00 0.66 -1.64 1.61 4.15 -1.91 -3.43 115.11 114.55 3gm0 h GLN 118 Ca -0.25 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 58.94 3gm0 h GLN 118 Cb 1.00 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.64 3gm0 h GLN 118 CO 0.30 0.78 0.00 0.41 -1.93 0.00 0.00 178.83 178.39 3gm0 n GLY 119 N -0.44 -1.79 3.65 2.39 0.00 -1.26 -4.59 105.19 103.15 3gm0 n GLY 119 Ca 0.01 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 3gm0 n GLY 119 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gm0 s THR 120 N 0.00 5.22 0.43 2.61 -1.32 -0.83 -4.77 115.64 116.96 3gm0 s THR 120 Ca 0.00 0.59 -0.24 0.00 -1.21 0.00 0.00 61.69 60.82 3gm0 s THR 120 Cb 0.00 -3.68 -0.08 0.00 -1.51 0.00 0.00 72.50 67.23 3gm0 s THR 120 CO 0.00 0.24 1.17 -0.94 -2.21 0.00 0.00 174.62 172.88 3gm0 s SER 121 N 1.22 6.37 -0.03 8.08 1.04 -1.26 -1.98 113.70 127.15 3gm0 s SER 121 Ca 0.16 2.33 0.00 0.00 0.48 0.00 0.00 55.95 58.92 3gm0 s SER 121 Cb -0.15 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.39 3gm0 s SER 121 CO 0.08 -0.78 -0.00 -0.69 0.98 0.00 0.00 173.24 172.83 3gm0 s VAL 122 N -1.47 0.18 0.35 5.02 1.01 -0.80 -4.38 120.40 120.31 3gm0 s VAL 122 Ca 0.60 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.73 3gm0 s VAL 122 Cb -0.30 -0.26 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 3gm0 s VAL 122 CO 0.37 0.13 -0.01 -0.89 0.00 0.00 0.00 175.10 174.70 3gm0 s THR 123 N 0.88 2.41 -0.09 3.92 2.01 0.14 -1.58 115.64 123.33 3gm0 s THR 123 Ca -0.09 -2.03 0.01 0.00 0.31 0.00 0.00 61.69 59.89 3gm0 s THR 123 Cb -0.12 -2.79 0.02 0.00 0.01 0.00 0.00 72.50 69.62 3gm0 s THR 123 CO -0.01 -0.16 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.97 3gm0 s VAL 124 N -2.58 1.04 -0.66 3.82 1.01 -1.25 0.33 120.40 122.12 3gm0 s VAL 124 Ca 0.35 -0.35 -0.38 0.00 0.00 0.00 0.00 61.98 61.60 3gm0 s VAL 124 Cb 0.02 -1.02 -0.19 0.00 0.00 0.00 0.00 36.38 35.20 3gm0 s VAL 124 CO 0.18 0.36 2.35 -1.20 0.00 0.00 0.00 175.10 176.79 3gm0 n SER 125 N 4.48 0.78 0.00 3.32 7.64 0.26 -4.69 113.62 125.41 3gm0 n SER 125 Ca -0.17 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.15 3gm0 n SER 125 Cb 0.51 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 3gm0 n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gm0 n GLY 126 N 7.01 0.00 0.00 0.23 0.00 -1.26 -4.54 105.19 106.64 3gm0 n GLY 126 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3gm0 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gm0 n GLY 127 N 0.00 0.64 1.87 -0.02 0.00 -1.26 -5.02 105.19 101.40 3gm0 n GLY 127 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3gm0 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gm0 n GLY 128 N 0.00 -2.82 2.48 -0.02 0.00 -1.26 -4.38 105.19 99.18 3gm0 n GLY 128 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 3gm0 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gm0 n GLY 129 N 1.77 1.59 0.00 -0.02 0.00 -1.26 -4.60 105.19 102.67 3gm0 n GLY 129 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3gm0 n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gm0 n SER 135 N 1.13 0.00 -2.67 1.61 7.64 -1.26 -5.21 113.62 114.85 3gm0 n SER 135 Ca 0.15 -0.56 -0.05 0.00 1.01 0.00 0.00 58.87 59.42 3gm0 n SER 135 Cb 0.62 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.90 3gm0 n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gm0 n GLY 136 N 0.00 -1.47 0.00 0.23 0.00 -1.26 -5.08 105.19 97.61 3gm0 n GLY 136 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.89 3gm0 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gm0 n GLY 137 N 1.20 0.25 0.17 -0.02 0.00 -1.25 -4.52 105.19 101.02 3gm0 n GLY 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gm0 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gm0 n GLY 138 N 4.12 0.09 0.00 -0.02 0.00 -1.26 -5.00 105.19 103.12 3gm0 n GLY 138 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3gm0 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gm0 n GLY 139 N 2.32 -0.93 3.33 -0.02 0.00 -1.26 -4.91 105.19 103.72 3gm0 n GLY 139 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 3gm0 n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gm0 s SER 140 N 0.00 2.53 0.02 1.61 1.04 -1.26 -5.12 113.70 112.52 3gm0 s SER 140 Ca 0.00 -0.98 -0.23 0.00 0.48 0.00 0.00 55.95 55.22 3gm0 s SER 140 Cb 0.00 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.04 3gm0 s SER 140 CO 0.00 -0.15 0.52 0.00 0.98 0.00 0.00 173.24 174.60 3gm0 s GLN 141 N -3.42 0.99 -0.09 4.02 -2.07 -1.26 -4.31 119.66 113.52 3gm0 s GLN 141 Ca 0.20 -0.13 -0.25 0.00 -1.82 0.00 0.00 55.36 53.36 3gm0 s GLN 141 Cb -0.02 0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 3gm0 s GLN 141 CO 0.06 -0.34 0.77 0.42 -1.32 0.00 0.00 175.29 174.88 3gm0 s ILE 142 N -2.04 4.98 -0.03 3.63 1.01 -1.26 -5.03 121.20 122.46 3gm0 s ILE 142 Ca -0.08 1.56 -0.18 0.00 0.00 0.00 0.00 60.65 61.96 3gm0 s ILE 142 Cb -0.01 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 3gm0 s ILE 142 CO 0.01 0.18 0.50 -0.69 0.00 0.00 0.00 174.94 174.95 3gm0 s VAL 143 N 1.19 5.01 -0.18 2.92 1.01 -1.26 -4.78 120.40 124.32 3gm0 s VAL 143 Ca 0.39 1.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 3gm0 s VAL 143 Cb -0.18 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 3gm0 s VAL 143 CO 0.18 0.45 -0.10 -0.76 0.00 0.00 0.00 175.10 174.87 3gm0 s LEU 144 N -0.28 2.75 -0.14 3.92 1.43 -1.26 -0.03 118.68 125.07 3gm0 s LEU 144 Ca 0.27 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3gm0 s LEU 144 Cb -0.17 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3gm0 s LEU 144 CO 0.14 0.06 -0.12 -0.89 0.23 0.00 0.00 176.35 175.78 3gm0 s THR 145 N 0.97 3.14 -0.31 5.49 2.01 0.12 -3.32 115.64 123.73 3gm0 s THR 145 Ca -0.01 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 3gm0 s THR 145 Cb -0.15 -2.33 0.06 0.00 0.01 0.00 0.00 72.50 70.09 3gm0 s THR 145 CO -0.01 0.51 0.01 -1.10 -0.69 0.00 0.00 174.62 173.35 3gm0 s GLN 146 N 0.47 2.33 -0.03 4.92 -0.21 -1.26 -0.80 119.66 125.08 3gm0 s GLN 146 Ca -0.09 -1.36 0.05 0.00 0.02 0.00 0.00 55.36 53.99 3gm0 s GLN 146 Cb -0.16 -3.20 -0.01 0.00 1.00 0.00 0.00 33.01 30.65 3gm0 s GLN 146 CO 0.04 -0.68 -0.17 0.45 -2.12 0.00 0.00 175.29 172.82 3gm0 s SER 147 N 1.28 2.07 0.82 5.90 0.15 -1.26 -4.02 113.70 118.64 3gm0 s SER 147 Ca -0.03 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.17 3gm0 s SER 147 Cb -0.20 -0.39 0.08 0.00 -1.71 0.00 0.00 66.02 63.80 3gm0 s SER 147 CO -0.02 0.18 1.13 -2.16 1.20 0.00 0.00 173.24 173.57 3gm0 s PRO 148 N -0.19 1.90 0.09 5.44 0.04 -1.26 -4.32 135.00 136.70 3gm0 s PRO 148 Ca 0.02 0.37 -0.09 0.00 0.04 0.00 0.00 61.00 61.34 3gm0 s PRO 148 Cb -0.09 -1.92 -0.22 0.00 0.04 0.00 0.00 34.50 32.31 3gm0 s PRO 148 CO 0.01 -1.69 1.18 0.00 0.04 0.00 0.00 177.00 176.54 3gm0 h ALA 149 N -1.13 0.14 -3.75 8.56 0.00 -1.81 -3.42 119.26 117.86 3gm0 h ALA 149 Ca -0.47 -0.78 -0.40 0.00 0.00 0.00 0.00 54.91 53.26 3gm0 h ALA 149 Cb 1.30 0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.88 3gm0 h ALA 149 CO 0.63 0.80 -0.78 0.42 0.00 0.00 0.00 179.25 180.32 3gm0 s ILE 150 N -2.99 0.87 -0.10 0.00 1.01 -1.26 -0.67 121.20 118.05 3gm0 s ILE 150 Ca -0.07 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 3gm0 s ILE 150 Cb 0.07 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.78 3gm0 s ILE 150 CO 0.90 0.01 0.37 -0.32 0.00 0.00 0.00 174.94 175.90 3gm0 s MET 151 N -0.89 0.53 -0.04 2.79 1.75 0.48 -4.92 119.30 119.01 3gm0 s MET 151 Ca 0.00 0.31 0.06 0.00 -1.25 0.00 0.00 55.69 54.82 3gm0 s MET 151 Cb -0.07 0.25 -0.01 0.00 2.84 0.00 0.00 34.83 37.84 3gm0 s MET 151 CO 0.01 -0.10 -0.23 -1.12 -0.65 0.00 0.00 175.02 172.93 3gm0 s SER 152 N -0.29 2.77 -0.03 1.11 0.01 -1.26 0.98 113.70 116.99 3gm0 s SER 152 Ca -0.04 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 56.70 3gm0 s SER 152 Cb -0.03 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.63 3gm0 s SER 152 CO 0.02 0.25 0.15 0.00 0.41 0.00 0.00 173.24 174.07 3gm0 s ALA 153 N -0.29 -0.37 0.36 1.44 0.00 -0.57 -4.91 121.76 117.41 3gm0 s ALA 153 Ca 0.02 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.03 3gm0 s ALA 153 Cb -0.11 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.84 3gm0 s ALA 153 CO 0.01 -0.14 0.74 -1.12 0.00 0.00 0.00 175.76 175.25 3gm0 s SER 154 N -0.62 6.65 0.24 0.00 0.01 -1.26 -2.36 113.70 116.35 3gm0 s SER 154 Ca -0.07 1.19 -0.31 0.00 1.31 0.00 0.00 55.95 58.07 3gm0 s SER 154 Cb -0.04 -2.34 -0.14 0.00 0.21 0.00 0.00 66.02 63.71 3gm0 s SER 154 CO 0.01 -0.29 1.30 -2.65 0.41 0.00 0.00 173.24 172.03 3gm0 n PRO 155 N -0.78 1.77 0.00 12.44 -0.02 -1.26 -2.11 135.00 145.04 3gm0 n PRO 155 Ca 0.03 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3gm0 n PRO 155 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3gm0 n PRO 155 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gm0 n GLY 156 N 1.92 3.03 3.79 -1.23 0.00 -0.53 -4.92 105.19 107.24 3gm0 n GLY 156 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3gm0 n GLY 156 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gm0 s GLU 157 N -0.59 3.93 -0.13 1.61 2.02 -0.90 -4.41 118.70 120.24 3gm0 s GLU 157 Ca 0.00 1.49 -0.27 0.00 0.02 0.00 0.00 54.97 56.21 3gm0 s GLU 157 Cb 0.00 -2.33 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 3gm0 s GLU 157 CO 0.00 -0.34 0.91 0.21 0.02 0.00 0.00 175.26 176.07 3gm0 s LYS 158 N -2.84 4.37 -0.09 1.61 2.20 -1.26 -1.49 119.74 122.25 3gm0 s LYS 158 Ca 0.63 1.20 0.01 0.00 -0.36 0.00 0.00 55.97 57.45 3gm0 s LYS 158 Cb -0.21 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 3gm0 s LYS 158 CO 0.25 -0.29 -0.11 0.08 -0.36 0.00 0.00 175.35 174.93 3gm0 s VAL 159 N 1.97 3.34 -0.08 4.02 1.01 -0.37 -4.99 120.40 125.31 3gm0 s VAL 159 Ca 0.44 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3gm0 s VAL 159 Cb -0.18 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.85 3gm0 s VAL 159 CO 0.16 0.56 -0.10 -0.89 0.00 0.00 0.00 175.10 174.82 3gm0 s THR 160 N -0.29 1.09 -0.05 3.92 2.01 -1.26 -0.03 115.64 121.03 3gm0 s THR 160 Ca 0.03 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.67 3gm0 s THR 160 Cb -0.13 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 3gm0 s THR 160 CO 0.03 0.36 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.38 3gm0 s LEU 161 N 1.06 2.51 0.18 4.42 1.43 0.11 -4.97 118.68 123.42 3gm0 s LEU 161 Ca -0.07 -0.30 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 3gm0 s LEU 161 Cb -0.15 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3gm0 s LEU 161 CO -0.01 0.32 -0.15 0.42 0.23 0.00 0.00 176.35 177.16 3gm0 s THR 162 N -0.59 2.90 -0.08 5.49 -4.23 -1.26 0.07 115.64 117.94 3gm0 s THR 162 Ca 0.09 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 58.82 3gm0 s THR 162 Cb -0.11 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.35 3gm0 s THR 162 CO 0.01 -0.09 0.03 0.00 -0.54 0.00 0.00 174.62 174.02 3gm0 s SER 164 N 2.03 4.94 -0.04 0.00 0.15 0.02 -1.81 113.70 119.00 3gm0 s SER 164 Ca 0.04 -0.22 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 3gm0 s SER 164 Cb -0.13 -1.87 -0.05 0.00 -1.71 0.00 0.00 66.02 62.26 3gm0 s SER 164 CO -0.05 0.00 0.32 0.00 1.20 0.00 0.00 173.24 174.71 3gm0 s ALA 165 N 1.37 3.75 -0.78 5.45 0.00 -0.66 0.11 121.76 131.01 3gm0 s ALA 165 Ca 0.05 -0.35 0.21 0.00 0.00 0.00 0.00 51.96 51.86 3gm0 s ALA 165 Cb -0.15 -2.26 0.84 0.00 0.00 0.00 0.00 23.12 21.56 3gm0 s ALA 165 CO 0.02 0.52 1.64 -1.13 0.00 0.00 0.00 175.76 176.80 3gm0 n SER 166 N 1.91 0.33 -3.65 0.00 3.41 0.96 -4.75 113.62 111.83 3gm0 n SER 166 Ca -0.16 0.57 -0.14 0.00 -0.26 0.00 0.00 58.87 58.88 3gm0 n SER 166 Cb 0.53 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 3gm0 n SER 166 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gm0 s SER 167 N -3.62 -0.37 0.40 4.04 0.15 -1.26 -4.94 113.70 108.10 3gm0 s SER 167 Ca 0.07 0.23 -0.26 0.00 0.70 0.00 0.00 55.95 56.70 3gm0 s SER 167 Cb 0.11 0.42 -0.11 0.00 -1.71 0.00 0.00 66.02 64.73 3gm0 s SER 167 CO 0.37 -0.58 1.18 -0.24 1.20 0.00 0.00 173.24 175.17 3gm0 n SER 168 N 0.87 2.11 -4.07 5.45 2.88 -1.26 -4.76 113.62 114.83 3gm0 n SER 168 Ca -0.20 1.11 -0.10 0.00 -1.33 0.00 0.00 58.87 58.35 3gm0 n SER 168 Cb 0.58 -1.44 -0.11 0.00 -0.75 0.00 0.00 64.21 62.49 3gm0 n SER 168 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3gm0 s VAL 169 N -1.20 0.42 -0.02 2.46 -7.23 -1.02 -5.00 120.40 108.81 3gm0 s VAL 169 Ca 0.61 -1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 3gm0 s VAL 169 Cb -0.54 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.38 3gm0 s VAL 169 CO 0.58 -0.64 1.59 -0.55 -0.31 0.00 0.00 175.10 175.77 3gm0 s SER 170 N -2.15 6.70 0.53 4.85 0.15 -1.26 -4.36 113.70 118.16 3gm0 s SER 170 Ca -0.03 2.24 0.31 0.00 0.70 0.00 0.00 55.95 59.17 3gm0 s SER 170 Cb -0.03 -2.54 1.70 0.00 -1.71 0.00 0.00 66.02 63.43 3gm0 s SER 170 CO -0.03 -0.87 1.94 0.77 1.20 0.00 0.00 173.24 176.25 3gm0 h SER 171 N 8.91 0.00 0.61 5.45 4.64 -1.93 0.33 113.55 131.56 3gm0 h SER 171 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3gm0 h SER 171 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3gm0 h SER 171 CO 0.94 0.00 -0.11 -1.54 -0.87 0.00 0.00 176.83 175.25 3gm0 n SER 172 N -2.68 0.24 -0.63 4.97 3.41 -1.26 -2.44 113.62 115.23 3gm0 n SER 172 Ca -0.02 -0.13 0.09 0.00 -0.26 0.00 0.00 58.87 58.55 3gm0 n SER 172 Cb 0.16 -0.20 0.22 0.00 -0.26 0.00 0.00 64.21 64.13 3gm0 n SER 172 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3gm0 n HIS 173 N -1.26 0.64 -3.78 7.33 -0.00 0.11 -3.98 115.22 114.29 3gm0 n HIS 173 Ca 0.11 -0.91 -0.37 0.00 -0.00 0.00 0.00 57.72 56.55 3gm0 n HIS 173 Cb 0.30 -0.26 -0.13 0.00 -0.00 0.00 0.00 29.99 29.90 3gm0 n HIS 173 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3gm0 s LEU 174 N -2.83 3.55 0.25 2.41 1.98 -1.21 -2.00 118.68 120.83 3gm0 s LEU 174 Ca 0.39 -0.47 0.12 0.00 -2.89 0.00 0.00 54.13 51.27 3gm0 s LEU 174 Cb 0.32 -1.87 -0.05 0.00 0.66 0.00 0.00 46.19 45.25 3gm0 s LEU 174 CO 0.07 -0.11 -0.20 -0.31 -1.89 0.00 0.00 176.35 173.91 3gm0 s TYR 175 N 1.54 2.31 0.07 5.38 1.51 0.17 -0.60 117.35 127.72 3gm0 s TYR 175 Ca 0.04 -0.33 0.08 0.00 -1.01 0.00 0.00 57.07 55.85 3gm0 s TYR 175 Cb -0.16 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 3gm0 s TYR 175 CO 0.02 0.64 -0.22 -1.58 -1.11 0.00 0.00 175.55 173.31 3gm0 s TRP 176 N -2.22 1.88 0.03 2.71 0.52 -0.20 0.13 118.94 121.79 3gm0 s TRP 176 Ca 0.27 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 56.03 3gm0 s TRP 176 Cb -0.06 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.15 3gm0 s TRP 176 CO 0.13 0.14 -0.10 0.71 0.02 0.00 0.00 176.95 177.85 3gm0 s TYR 177 N -0.92 0.91 -0.05 -1.98 1.51 0.36 -0.35 117.35 116.83 3gm0 s TYR 177 Ca 0.08 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 3gm0 s TYR 177 Cb -0.09 -0.55 -0.02 0.00 -0.11 0.00 0.00 41.96 41.19 3gm0 s TYR 177 CO 0.03 -0.01 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.13 3gm0 s GLN 178 N -1.07 2.52 -0.03 -0.62 0.74 -0.75 -1.27 119.66 119.18 3gm0 s GLN 178 Ca -0.02 -0.79 -0.02 0.00 0.05 0.00 0.00 55.36 54.58 3gm0 s GLN 178 Cb -0.07 -2.28 0.01 0.00 1.10 0.00 0.00 33.01 31.77 3gm0 s GLN 178 CO 0.01 0.51 0.07 -1.14 -0.55 0.00 0.00 175.29 174.19 3gm0 s GLN 179 N -0.46 0.06 0.12 1.67 0.74 -0.16 -1.15 119.66 120.48 3gm0 s GLN 179 Ca 0.05 0.14 0.10 0.00 0.05 0.00 0.00 55.36 55.71 3gm0 s GLN 179 Cb -0.12 -0.03 -0.04 0.00 1.10 0.00 0.00 33.01 33.92 3gm0 s GLN 179 CO 0.01 -0.05 -0.24 0.15 -0.55 0.00 0.00 175.29 174.61 3gm0 s LYS 180 N 0.34 1.53 0.20 1.67 1.02 -1.26 -1.22 119.74 122.01 3gm0 s LYS 180 Ca -0.03 -1.29 -0.31 0.00 0.02 0.00 0.00 55.97 54.37 3gm0 s LYS 180 Cb -0.04 -1.97 -0.16 0.00 -0.52 0.00 0.00 37.83 35.14 3gm0 s LYS 180 CO -0.01 0.46 0.97 -0.35 -0.92 0.00 0.00 175.35 175.50 3gm0 n PRO 181 N 0.89 0.86 -1.12 -1.68 -0.04 -1.26 -1.49 135.00 131.17 3gm0 n PRO 181 Ca -0.17 0.31 -0.04 0.00 -0.04 0.00 0.00 63.50 63.55 3gm0 n PRO 181 Cb 0.53 -1.66 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 3gm0 n PRO 181 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gm0 n GLY 182 N 1.75 0.70 3.22 0.55 0.00 -1.26 -5.00 105.19 105.15 3gm0 n GLY 182 Ca 0.15 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 3gm0 n GLY 182 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gm0 s SER 183 N -2.66 0.14 0.55 1.61 0.15 -0.55 -5.16 113.70 107.78 3gm0 s SER 183 Ca 0.00 -0.75 -0.03 0.00 0.70 0.00 0.00 55.95 55.87 3gm0 s SER 183 Cb 0.00 0.35 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 3gm0 s SER 183 CO 0.00 -0.75 0.82 -0.94 1.20 0.00 0.00 173.24 173.57 3gm0 s SER 184 N -2.90 5.59 0.33 5.45 1.04 -1.26 -4.48 113.70 117.47 3gm0 s SER 184 Ca 0.08 0.49 -0.29 0.00 0.48 0.00 0.00 55.95 56.71 3gm0 s SER 184 Cb 0.05 -1.53 -0.11 0.00 0.10 0.00 0.00 66.02 64.53 3gm0 s SER 184 CO -0.08 -0.99 1.49 -2.84 0.98 0.00 0.00 173.24 171.80 3gm0 s PRO 185 N -4.84 4.16 -0.10 4.02 0.02 -1.26 -4.67 135.00 132.33 3gm0 s PRO 185 Ca 0.53 2.50 0.02 0.00 0.02 0.00 0.00 61.00 64.08 3gm0 s PRO 185 Cb -0.10 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.39 3gm0 s PRO 185 CO 0.42 -0.51 -0.18 0.15 -0.33 0.00 0.00 177.00 176.55 3gm0 s LYS 186 N -1.38 3.03 0.13 5.54 1.02 -0.30 -4.80 119.74 122.98 3gm0 s LYS 186 Ca 0.56 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 55.47 3gm0 s LYS 186 Cb -0.46 -2.44 -0.11 0.00 -0.52 0.00 0.00 37.83 34.31 3gm0 s LYS 186 CO 0.55 0.30 1.83 -1.17 -0.92 0.00 0.00 175.35 175.94 3gm0 s LEU 187 N 0.09 4.40 -0.13 3.17 2.96 -1.26 -1.82 118.68 126.08 3gm0 s LEU 187 Ca -0.08 2.78 -0.01 0.00 -0.22 0.00 0.00 54.13 56.61 3gm0 s LEU 187 Cb -0.15 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 3gm0 s LEU 187 CO 0.05 -1.01 -0.13 1.87 -1.32 0.00 0.00 176.35 175.81 3gm0 n TRP 188 N 5.55 0.00 -3.78 5.38 -0.00 0.53 -4.69 117.44 120.43 3gm0 n TRP 188 Ca 0.18 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.53 3gm0 n TRP 188 Cb 0.38 -0.51 -0.15 0.00 -0.00 0.00 0.00 31.31 31.03 3gm0 n TRP 188 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 3gm0 s ILE 189 N -2.26 -0.05 -0.03 5.87 1.01 -0.83 -1.96 121.20 122.95 3gm0 s ILE 189 Ca -0.18 0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.71 3gm0 s ILE 189 Cb 0.05 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.38 3gm0 s ILE 189 CO 0.29 0.07 -0.21 -0.72 0.00 0.00 0.00 174.94 174.38 3gm0 s TYR 190 N 0.95 2.49 -1.01 3.97 -0.85 0.11 -1.03 117.35 121.98 3gm0 s TYR 190 Ca -0.08 -0.32 -0.08 0.00 -0.52 0.00 0.00 57.07 56.07 3gm0 s TYR 190 Cb -0.11 -1.54 -0.04 0.00 0.38 0.00 0.00 41.96 40.65 3gm0 s TYR 190 CO -0.03 0.07 0.84 0.43 -1.52 0.00 0.00 175.55 175.34 3gm0 n SER 191 N 2.31 -6.48 0.00 -0.18 7.64 -1.09 -1.92 113.62 113.89 3gm0 n SER 191 Ca -0.16 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.03 3gm0 n SER 191 Cb 0.52 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 59.06 3gm0 n SER 191 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3gm0 n THR 192 N -3.19 0.00 -1.47 0.44 -1.04 0.23 -3.94 114.28 105.31 3gm0 n THR 192 Ca -0.07 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.95 3gm0 n THR 192 Cb 0.59 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.11 3gm0 n THR 192 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3gm0 n SER 193 N 0.00 0.25 -4.55 8.00 3.41 -1.25 -3.02 113.62 116.46 3gm0 n SER 193 Ca 0.00 -1.70 -0.36 0.00 -0.26 0.00 0.00 58.87 56.55 3gm0 n SER 193 Cb 0.00 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 3gm0 n SER 193 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3gm0 s ASN 194 N -0.75 5.59 0.35 4.04 0.01 -0.81 -4.50 114.94 118.87 3gm0 s ASN 194 Ca 0.02 -0.05 -0.26 0.00 -0.71 0.00 0.00 52.86 51.86 3gm0 s ASN 194 Cb 0.02 -2.00 -0.09 0.00 0.41 0.00 0.00 41.25 39.58 3gm0 s ASN 194 CO 0.00 0.02 1.08 -0.76 -1.51 0.00 0.00 177.10 175.94 3gm0 s LEU 195 N 1.28 4.32 0.68 0.60 1.43 -1.26 0.09 118.68 125.81 3gm0 s LEU 195 Ca 0.06 2.17 -0.06 0.00 -1.03 0.00 0.00 54.13 55.26 3gm0 s LEU 195 Cb -0.14 -3.94 0.05 0.00 0.03 0.00 0.00 46.19 42.19 3gm0 s LEU 195 CO 0.05 -0.37 0.99 0.00 0.23 0.00 0.00 176.35 177.24 3gm0 s ALA 196 N -1.42 3.21 0.16 4.21 0.00 -0.83 -4.83 121.76 122.26 3gm0 s ALA 196 Ca 0.52 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 51.27 3gm0 s ALA 196 Cb -0.27 -2.58 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 3gm0 s ALA 196 CO 0.34 -1.19 1.45 0.45 0.00 0.00 0.00 175.76 176.81 3gm0 s SER 197 N -4.48 6.72 0.00 0.00 0.15 -1.26 -2.69 113.70 112.14 3gm0 s SER 197 Ca 0.59 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.72 3gm0 s SER 197 Cb -0.11 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3gm0 s SER 197 CO 0.45 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.79 3gm0 n GLY 198 N 3.29 0.57 3.67 9.45 0.00 -1.26 -5.05 105.19 115.86 3gm0 n GLY 198 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3gm0 n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gm0 s VAL 199 N -2.02 4.99 0.34 1.61 1.01 -1.10 -5.07 120.40 120.16 3gm0 s VAL 199 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 3gm0 s VAL 199 Cb 0.00 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 3gm0 s VAL 199 CO 0.00 0.45 1.38 -2.84 0.00 0.00 0.00 175.10 174.09 3gm0 s PRO 200 N 0.36 4.27 0.00 2.72 0.02 -1.26 -4.86 135.00 136.24 3gm0 s PRO 200 Ca 0.05 2.34 0.09 0.00 0.02 0.00 0.00 61.00 63.49 3gm0 s PRO 200 Cb -0.12 -3.04 0.45 0.00 0.02 0.00 0.00 34.50 31.81 3gm0 s PRO 200 CO -0.01 -0.32 1.09 0.00 -0.33 0.00 0.00 177.00 177.43 3gm0 n ALA 201 N 0.87 1.64 0.47 -1.55 0.00 -1.26 -1.94 120.51 118.74 3gm0 n ALA 201 Ca 0.01 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.50 3gm0 n ALA 201 Cb 0.41 -1.14 0.40 0.00 0.00 0.00 0.00 19.45 19.12 3gm0 n ALA 201 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3gm0 n ARG 202 N -1.20 0.10 -3.24 0.00 1.85 -1.26 -4.70 116.66 108.20 3gm0 n ARG 202 Ca 0.05 0.32 -0.30 0.00 -1.00 0.00 0.00 57.85 56.92 3gm0 n ARG 202 Cb 0.06 -1.68 -0.04 0.00 -1.05 0.00 0.00 32.46 29.75 3gm0 n ARG 202 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3gm0 s PHE 203 N -3.15 3.46 0.12 2.89 0.40 -0.82 -0.19 117.98 120.69 3gm0 s PHE 203 Ca 0.06 0.80 -0.23 0.00 -0.60 0.00 0.00 56.93 56.96 3gm0 s PHE 203 Cb 0.10 -2.23 0.06 0.00 0.51 0.00 0.00 43.02 41.47 3gm0 s PHE 203 CO 0.34 0.13 0.58 -1.54 0.70 0.00 0.00 175.22 175.42 3gm0 s SER 204 N -2.97 -0.53 0.04 1.36 1.04 0.52 -4.96 113.70 108.20 3gm0 s SER 204 Ca 0.47 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.95 3gm0 s SER 204 Cb -0.11 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 3gm0 s SER 204 CO 0.28 -0.89 -0.03 -0.83 0.98 0.00 0.00 173.24 172.75 3gm0 s GLY 205 N -2.51 0.38 0.20 7.32 0.00 -1.26 0.59 107.32 112.04 3gm0 s GLY 205 Ca -0.01 -0.98 -0.23 0.00 0.00 0.00 0.00 44.72 43.51 3gm0 s GLY 205 CO -0.09 -1.07 0.72 -1.35 0.00 0.00 0.00 173.10 171.31 3gm0 s SER 206 N -2.38 -0.36 0.00 1.64 1.04 -0.04 -4.18 113.70 109.42 3gm0 s SER 206 Ca -0.02 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3gm0 s SER 206 Cb 0.01 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3gm0 s SER 206 CO -0.07 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.65 3gm0 n GLY 207 N -0.42 2.43 3.49 7.32 0.00 -1.26 0.25 105.19 117.00 3gm0 n GLY 207 Ca -0.09 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 3gm0 n GLY 207 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gm0 s SER 208 N 0.00 -0.41 1.67 1.61 0.15 0.48 -4.94 113.70 112.27 3gm0 s SER 208 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 3gm0 s SER 208 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3gm0 s SER 208 CO 0.00 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.34 3gm0 n GLY 209 N -0.28 1.24 0.33 9.45 0.00 -1.26 -1.24 105.19 113.43 3gm0 n GLY 209 Ca -0.11 0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.30 3gm0 n GLY 209 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gm0 n THR 210 N 0.00 1.47 -3.87 2.61 -2.24 -1.26 -2.43 114.28 108.56 3gm0 n THR 210 Ca 0.00 -1.49 -0.27 0.00 -2.27 0.00 0.00 64.05 60.02 3gm0 n THR 210 Cb 0.00 0.17 -0.17 0.00 -2.10 0.00 0.00 70.33 68.23 3gm0 n THR 210 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gm0 s SER 211 N -1.66 2.52 0.11 3.42 0.15 -0.37 -1.65 113.70 116.21 3gm0 s SER 211 Ca 0.22 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.37 3gm0 s SER 211 Cb 0.16 -0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 63.61 3gm0 s SER 211 CO 0.06 -0.18 -0.05 -0.31 1.20 0.00 0.00 173.24 173.96 3gm0 s TYR 212 N 1.71 0.90 -0.00 3.44 1.51 -0.75 -0.39 117.35 123.78 3gm0 s TYR 212 Ca 0.02 -0.95 -0.23 0.00 -1.01 0.00 0.00 57.07 54.90 3gm0 s TYR 212 Cb -0.14 -0.53 0.05 0.00 -0.11 0.00 0.00 41.96 41.23 3gm0 s TYR 212 CO -0.08 -0.19 0.51 -1.54 -1.11 0.00 0.00 175.55 173.15 3gm0 s SER 213 N -3.05 -0.43 -0.06 2.29 1.04 0.14 -0.97 113.70 112.65 3gm0 s SER 213 Ca 0.13 0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.92 3gm0 s SER 213 Cb 0.06 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 3gm0 s SER 213 CO -0.04 -0.61 -0.17 -0.22 0.98 0.00 0.00 173.24 173.18 3gm0 s LEU 214 N -1.56 2.55 -0.01 2.42 0.20 0.11 -0.86 118.68 121.53 3gm0 s LEU 214 Ca -0.09 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.47 3gm0 s LEU 214 Cb -0.02 -1.51 -0.01 0.00 -0.43 0.00 0.00 46.19 44.23 3gm0 s LEU 214 CO 0.04 0.30 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.40 3gm0 s THR 215 N -0.49 0.91 -0.25 3.68 2.01 0.20 0.05 115.64 121.75 3gm0 s THR 215 Ca 0.06 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 3gm0 s THR 215 Cb -0.12 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 71.64 3gm0 s THR 215 CO 0.01 0.26 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.55 3gm0 s ILE 216 N -0.24 3.23 0.20 1.82 1.01 0.96 -0.35 121.20 127.82 3gm0 s ILE 216 Ca 0.04 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 3gm0 s ILE 216 Cb -0.05 -2.59 0.13 0.00 0.01 0.00 0.00 42.46 39.96 3gm0 s ILE 216 CO -0.00 0.24 1.81 0.77 0.00 0.00 0.00 174.94 177.75 3gm0 h SER 217 N 8.09 0.90 -2.77 3.58 4.64 -0.86 -0.96 113.55 126.17 3gm0 h SER 217 Ca -0.35 -0.10 -0.40 0.00 -0.47 0.00 0.00 61.79 60.47 3gm0 h SER 217 Cb 1.13 -0.23 -0.38 0.00 -0.31 0.00 0.00 62.40 62.60 3gm0 h SER 217 CO 0.59 0.75 -0.69 -0.55 -0.87 0.00 0.00 176.83 176.05 3gm0 s SER 218 N -6.05 2.00 -0.05 4.97 0.15 -1.26 -3.98 113.70 109.47 3gm0 s SER 218 Ca -0.13 -0.51 -0.35 0.00 0.70 0.00 0.00 55.95 55.67 3gm0 s SER 218 Cb 0.14 0.05 -0.13 0.00 -1.71 0.00 0.00 66.02 64.37 3gm0 s SER 218 CO 0.80 -0.35 1.77 0.80 1.20 0.00 0.00 173.24 177.46 3gm0 n MET 219 N 5.30 1.99 -4.26 5.44 1.56 -0.55 -4.74 117.12 121.85 3gm0 n MET 219 Ca -0.06 0.73 -0.26 0.00 -0.27 0.00 0.00 57.70 57.84 3gm0 n MET 219 Cb 0.49 -2.53 -0.08 0.00 2.15 0.00 0.00 33.22 33.25 3gm0 n MET 219 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3gm0 s GLU 220 N 3.17 2.23 0.47 2.12 0.41 -1.26 -1.46 118.70 124.38 3gm0 s GLU 220 Ca 0.90 -1.25 0.14 0.00 -0.41 0.00 0.00 54.97 54.35 3gm0 s GLU 220 Cb -0.75 -2.22 1.12 0.00 -1.78 0.00 0.00 34.13 30.50 3gm0 s GLU 220 CO 0.50 0.42 2.07 0.00 -0.49 0.00 0.00 175.26 177.77 3gm0 h ALA 221 N 2.60 1.99 0.00 5.21 0.00 -1.99 -1.14 119.26 125.93 3gm0 h ALA 221 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gm0 h ALA 221 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gm0 h ALA 221 CO 0.57 -0.04 0.00 -0.85 0.00 0.00 0.00 179.25 178.93 3gm0 n GLU 222 N -4.49 0.18 0.00 0.00 0.28 -1.26 -2.86 120.64 112.49 3gm0 n GLU 222 Ca 0.03 0.09 0.14 0.00 -0.16 0.00 0.00 57.16 57.25 3gm0 n GLU 222 Cb 0.21 -1.50 0.51 0.00 1.43 0.00 0.00 31.44 32.08 3gm0 n GLU 222 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3gm0 n ASP 223 N -1.38 0.44 -4.67 -1.84 8.00 -0.43 -4.79 116.55 111.89 3gm0 n ASP 223 Ca 0.08 -0.33 -0.42 0.00 0.71 0.00 0.00 54.79 54.83 3gm0 n ASP 223 Cb 0.22 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3gm0 n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gm0 s ALA 224 N -2.69 3.63 0.00 2.24 0.00 -1.14 -4.85 121.76 118.95 3gm0 s ALA 224 Ca 0.22 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3gm0 s ALA 224 Cb 0.19 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3gm0 s ALA 224 CO 0.54 -1.29 0.00 0.00 0.00 0.00 0.00 175.76 175.01 3gm0 n ALA 225 N 6.75 0.00 -2.85 0.00 0.00 -0.79 -4.99 120.51 118.64 3gm0 n ALA 225 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.28 3gm0 n ALA 225 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 3gm0 n ALA 225 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gm0 s SER 226 N -4.00 6.01 -0.05 0.00 0.01 -0.36 -0.23 113.70 115.09 3gm0 s SER 226 Ca 0.00 0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.49 3gm0 s SER 226 Cb 0.00 -1.79 0.01 0.00 0.21 0.00 0.00 66.02 64.45 3gm0 s SER 226 CO 0.00 0.23 -0.09 -0.31 0.41 0.00 0.00 173.24 173.49 3gm0 s TYR 227 N -1.33 1.06 -0.02 2.43 1.51 0.06 -0.99 117.35 120.07 3gm0 s TYR 227 Ca 0.28 -0.33 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 3gm0 s TYR 227 Cb -0.12 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 3gm0 s TYR 227 CO 0.20 -0.20 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.19 3gm0 s PHE 228 N 0.64 1.71 0.29 2.71 0.40 -0.40 -1.19 117.98 122.14 3gm0 s PHE 228 Ca -0.11 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 55.86 3gm0 s PHE 228 Cb -0.14 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 3gm0 s PHE 228 CO 0.02 -0.05 0.49 0.00 0.70 0.00 0.00 175.22 176.37 3gm0 s HIS 230 N -2.12 0.32 -0.08 0.00 5.04 0.35 -0.94 115.29 117.85 3gm0 s HIS 230 Ca 0.40 -0.35 0.01 0.00 -1.54 0.00 0.00 55.06 53.58 3gm0 s HIS 230 Cb -0.10 -0.21 0.02 0.00 0.04 0.00 0.00 32.58 32.33 3gm0 s HIS 230 CO 0.32 -0.10 -0.10 -1.14 -2.34 0.00 0.00 174.74 171.39 3gm0 s GLN 231 N -0.99 1.56 -0.14 2.88 -0.44 -0.46 -0.66 119.66 121.41 3gm0 s GLN 231 Ca -0.09 -0.32 0.20 0.00 -2.50 0.00 0.00 55.36 52.65 3gm0 s GLN 231 Cb -0.07 -1.44 0.45 0.00 -1.64 0.00 0.00 33.01 30.31 3gm0 s GLN 231 CO -0.00 -0.11 1.17 -2.67 0.50 0.00 0.00 175.29 174.18 3gm0 n TRP 232 N 4.31 0.61 0.04 1.67 4.27 -0.85 -1.40 117.44 126.09 3gm0 n TRP 232 Ca -0.19 -1.29 -0.10 0.00 -3.89 0.00 0.00 57.50 52.03 3gm0 n TRP 232 Cb 0.51 -0.21 -0.13 0.00 -1.36 0.00 0.00 31.31 30.12 3gm0 n TRP 232 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 3gm0 h SER 233 N 1.51 0.12 -4.34 -0.67 0.87 -1.89 -3.47 113.55 105.68 3gm0 h SER 233 Ca -0.09 -0.16 -0.48 0.00 -1.23 0.00 0.00 61.79 59.82 3gm0 h SER 233 Cb 1.52 -0.04 -0.23 0.00 -0.44 0.00 0.00 62.40 63.22 3gm0 h SER 233 CO 0.17 1.14 -0.80 -0.55 -0.53 0.00 0.00 176.83 176.26 3gm0 s SER 234 N -6.61 2.00 -0.08 6.23 0.15 -1.26 -4.91 113.70 109.22 3gm0 s SER 234 Ca -0.04 -0.59 -0.13 0.00 0.70 0.00 0.00 55.95 55.90 3gm0 s SER 234 Cb 0.08 -0.10 -0.05 0.00 -1.71 0.00 0.00 66.02 64.24 3gm0 s SER 234 CO 0.83 0.01 0.32 -0.36 1.20 0.00 0.00 173.24 175.24 3gm0 s PHE 235 N -1.09 3.61 0.36 3.44 0.40 -1.26 -2.91 117.98 120.53 3gm0 s PHE 235 Ca 0.02 0.77 -0.21 0.00 -0.60 0.00 0.00 56.93 56.91 3gm0 s PHE 235 Cb -0.09 -2.24 -0.10 0.00 0.51 0.00 0.00 43.02 41.10 3gm0 s PHE 235 CO 0.03 0.53 0.88 -1.25 0.70 0.00 0.00 175.22 176.10 3gm0 s PRO 236 N -0.55 4.26 0.76 0.24 0.04 -1.26 -4.82 135.00 133.67 3gm0 s PRO 236 Ca 0.20 1.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 3gm0 s PRO 236 Cb -0.14 -2.43 0.06 0.00 0.04 0.00 0.00 34.50 32.02 3gm0 s PRO 236 CO 0.08 0.12 1.22 -0.06 0.04 0.00 0.00 177.00 178.40 3gm0 s PHE 237 N -1.95 1.91 0.19 0.56 0.08 -1.15 -4.68 117.98 112.93 3gm0 s PHE 237 Ca 0.56 1.62 0.00 0.00 0.12 0.00 0.00 56.93 59.23 3gm0 s PHE 237 Cb -0.12 -3.51 -0.04 0.00 -0.57 0.00 0.00 43.02 38.77 3gm0 s PHE 237 CO 0.17 -2.81 0.07 0.95 -0.10 0.00 0.00 175.22 173.51 3gm0 s THR 238 N -1.99 0.31 0.13 0.64 -4.23 -0.49 -4.58 115.64 105.43 3gm0 s THR 238 Ca 0.75 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 59.37 3gm0 s THR 238 Cb -0.30 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 3gm0 s THR 238 CO 0.48 -0.24 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.78 3gm0 s PHE 239 N -3.92 1.69 0.74 3.99 0.40 -1.26 -1.36 117.98 118.26 3gm0 s PHE 239 Ca 0.31 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 3gm0 s PHE 239 Cb 0.07 -0.88 0.04 0.00 0.51 0.00 0.00 43.02 42.76 3gm0 s PHE 239 CO 0.08 0.24 1.12 0.20 0.70 0.00 0.00 175.22 177.56 3gm0 s GLY 240 N -2.37 1.62 0.33 4.36 0.00 -0.12 -4.57 107.32 106.56 3gm0 s GLY 240 Ca 0.11 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.41 3gm0 s GLY 240 CO 0.05 -0.05 1.91 1.48 0.00 0.00 0.00 173.10 176.49 3gm0 h SER 241 N -0.79 0.78 -5.00 1.64 4.64 -1.88 -3.44 113.55 109.50 3gm0 h SER 241 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3gm0 h SER 241 Cb 1.28 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3gm0 h SER 241 CO 0.65 0.48 0.00 0.61 -0.87 0.00 0.00 176.83 177.69 3gm0 n GLY 242 N -1.42 2.37 2.96 -0.77 0.00 -1.26 -4.82 105.19 102.25 3gm0 n GLY 242 Ca 0.14 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 3gm0 n GLY 242 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gm0 s THR 243 N -2.30 1.11 -0.29 2.61 2.01 -0.33 -4.56 115.64 113.89 3gm0 s THR 243 Ca 0.00 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.45 3gm0 s THR 243 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 3gm0 s THR 243 CO 0.00 0.37 0.41 -0.75 -0.69 0.00 0.00 174.62 173.96 3gm0 s LYS 244 N 1.28 3.93 -0.18 4.92 2.20 0.15 -0.76 119.74 131.28 3gm0 s LYS 244 Ca -0.03 0.01 -0.07 0.00 -0.36 0.00 0.00 55.97 55.52 3gm0 s LYS 244 Cb -0.14 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 3gm0 s LYS 244 CO -0.04 -0.36 0.05 -1.17 -0.36 0.00 0.00 175.35 173.47 3gm0 s LEU 245 N 2.14 3.76 0.29 5.43 2.96 0.68 -0.38 118.68 133.55 3gm0 s LEU 245 Ca 0.16 0.07 0.09 0.00 -0.22 0.00 0.00 54.13 54.23 3gm0 s LEU 245 Cb -0.16 -1.94 -0.06 0.00 0.50 0.00 0.00 46.19 44.53 3gm0 s LEU 245 CO 0.10 0.18 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.58 3gm0 s GLU 246 N 0.31 1.63 -0.13 1.98 2.02 0.27 -1.88 118.70 122.91 3gm0 s GLU 246 Ca 0.03 -1.79 -0.05 0.00 0.02 0.00 0.00 54.97 53.18 3gm0 s GLU 246 Cb -0.12 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.56 3gm0 s GLU 246 CO 0.00 0.19 0.04 0.96 0.02 0.00 0.00 175.26 176.48 3gm0 s ILE 247 N -2.72 4.66 0.88 -1.63 -4.36 -1.26 -1.51 121.20 115.26 3gm0 s ILE 247 Ca 0.29 -0.10 -0.12 0.00 -0.26 0.00 0.00 60.65 60.46 3gm0 s ILE 247 Cb -0.00 -3.03 0.12 0.00 1.25 0.00 0.00 42.46 40.79 3gm0 s ILE 247 CO 0.13 0.55 1.13 -0.54 0.24 0.00 0.00 174.94 176.45 3gm0 s LYS 248 N -0.34 1.39 0.00 0.37 1.02 -1.00 -4.86 119.74 116.32 3gm0 s LYS 248 Ca 0.08 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.45 3gm0 s LYS 248 Cb -0.12 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 3gm0 s LYS 248 CO 0.02 -2.04 0.00 0.54 -0.92 0.00 0.00 175.35 172.94 3gm0 n ARG 249 N -3.68 0.00 0.00 1.68 5.12 -1.26 -4.89 116.66 113.63 3gm0 n ARG 249 Ca 0.07 0.07 0.15 0.00 -1.93 0.00 0.00 57.85 56.21 3gm0 n ARG 249 Cb 0.58 -0.11 0.79 0.00 -1.16 0.00 0.00 32.46 32.56 3gm0 n ARG 249 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70