#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g65 s SER 2 N 0.00 2.80 0.02 8.00 0.01 -1.26 -0.12 113.70 123.15 1g65 s SER 2 Ca 0.00 -0.72 -0.08 0.00 1.31 0.00 0.00 55.95 56.47 1g65 s SER 2 Cb 0.00 -0.71 -0.00 0.00 0.21 0.00 0.00 66.02 65.52 1g65 s SER 2 CO 0.00 -0.25 0.15 0.27 0.41 0.00 0.00 173.24 173.82 1g65 s ILE 3 N 1.77 0.10 0.15 1.44 -4.36 -0.54 -1.08 121.20 118.69 1g65 s ILE 3 Ca -0.00 -0.86 -0.24 0.00 -0.26 0.00 0.00 60.65 59.29 1g65 s ILE 3 Cb -0.16 -0.71 0.07 0.00 1.25 0.00 0.00 42.46 42.90 1g65 s ILE 3 CO -0.07 -0.47 0.75 0.00 0.24 0.00 0.00 174.94 175.39 1g65 s MET 4 N -2.08 1.27 -0.06 0.37 0.23 -0.04 -0.94 119.30 118.05 1g65 s MET 4 Ca -0.09 -0.58 -0.02 0.00 -1.03 0.00 0.00 55.69 53.97 1g65 s MET 4 Cb -0.04 0.51 0.04 0.00 -1.53 0.00 0.00 34.83 33.81 1g65 s MET 4 CO -0.02 -0.57 0.13 0.00 -2.03 0.00 0.00 175.02 172.54 1g65 s ALA 5 N -3.56 -0.22 -0.11 3.16 0.00 -0.40 -0.22 121.76 120.41 1g65 s ALA 5 Ca 0.06 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1g65 s ALA 5 Cb -0.02 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1g65 s ALA 5 CO -0.05 -0.15 -0.11 0.08 0.00 0.00 0.00 175.76 175.52 1g65 s VAL 6 N 1.16 1.24 0.46 0.00 1.01 0.12 -1.48 120.40 122.92 1g65 s VAL 6 Ca -0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 1g65 s VAL 6 Cb -0.12 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1g65 s VAL 6 CO -0.06 0.40 0.82 0.42 0.00 0.00 0.00 175.10 176.68 1g65 s THR 7 N 1.28 4.80 0.36 3.92 -4.23 -1.00 0.54 115.64 121.31 1g65 s THR 7 Ca -0.02 0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 60.92 1g65 s THR 7 Cb -0.14 -3.79 0.04 0.00 1.34 0.00 0.00 72.50 69.94 1g65 s THR 7 CO -0.05 -0.72 0.68 0.72 -0.54 0.00 0.00 174.62 174.72 1g65 s PHE 8 N -2.61 0.37 0.32 3.99 -0.12 0.12 -4.76 117.98 115.29 1g65 s PHE 8 Ca 0.51 -0.90 0.08 0.00 -0.05 0.00 0.00 56.93 56.58 1g65 s PHE 8 Cb -0.10 0.54 0.90 0.00 -0.63 0.00 0.00 43.02 43.73 1g65 s PHE 8 CO 0.39 -1.40 1.65 -0.22 -0.05 0.00 0.00 175.22 175.58 1g65 h LYS 9 N 2.04 0.23 0.00 1.99 3.64 -1.66 0.11 116.57 122.92 1g65 h LYS 9 Ca -0.30 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1g65 h LYS 9 Cb 1.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1g65 h LYS 9 CO 0.39 0.16 -0.61 -0.25 -2.27 0.00 0.00 179.45 176.86 1g65 n ASP 10 N -5.16 0.61 0.00 4.20 10.43 -1.26 -4.91 116.55 120.45 1g65 n ASP 10 Ca 0.27 -0.03 0.00 0.00 2.57 0.00 0.00 54.79 57.60 1g65 n ASP 10 Cb 0.84 0.24 0.00 0.00 1.84 0.00 0.00 41.12 44.05 1g65 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1g65 n GLY 11 N 1.40 -0.71 3.54 0.44 0.00 0.02 -4.29 105.19 105.59 1g65 n GLY 11 Ca 0.04 0.31 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 1g65 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g65 s VAL 12 N 0.00 0.00 0.04 1.61 0.11 -0.96 -0.70 120.40 120.49 1g65 s VAL 12 Ca 0.00 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 1g65 s VAL 12 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1g65 s VAL 12 CO 0.00 0.00 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.96 1g65 s ILE 13 N -1.43 1.41 -0.11 7.04 1.01 0.19 -1.47 121.20 127.84 1g65 s ILE 13 Ca -0.04 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.52 1g65 s ILE 13 Cb -0.00 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 1g65 s ILE 13 CO 0.03 0.12 -0.12 -0.76 0.00 0.00 0.00 174.94 174.21 1g65 s LEU 14 N -1.14 2.78 0.09 2.97 1.02 -0.06 0.10 118.68 124.45 1g65 s LEU 14 Ca 0.05 -0.27 0.05 0.00 0.02 0.00 0.00 54.13 53.98 1g65 s LEU 14 Cb -0.08 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 1g65 s LEU 14 CO 0.01 0.21 -0.13 -0.83 0.02 0.00 0.00 176.35 175.64 1g65 s GLY 15 N 0.07 0.91 0.10 -3.19 0.00 0.70 -0.38 107.32 105.53 1g65 s GLY 15 Ca -0.05 -1.13 -0.26 0.00 0.00 0.00 0.00 44.72 43.29 1g65 s GLY 15 CO 0.04 -1.17 0.79 0.00 0.00 0.00 0.00 173.10 172.76 1g65 s ALA 16 N -1.83 -1.67 0.64 3.20 0.00 0.04 -0.86 121.76 121.29 1g65 s ALA 16 Ca 0.03 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1g65 s ALA 16 Cb -0.07 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1g65 s ALA 16 CO 0.02 -0.80 0.00 -0.40 0.00 0.00 0.00 175.76 174.58 1g65 n ASP 17 N -0.34 0.00 -2.13 0.00 5.75 -0.24 -1.13 116.55 118.46 1g65 n ASP 17 Ca -0.11 -0.17 0.01 0.00 -0.01 0.00 0.00 54.79 54.51 1g65 n ASP 17 Cb 0.62 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.75 1g65 n ASP 17 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1g65 n SER 18 N -0.51 0.88 -4.59 -1.12 3.41 -0.84 -4.57 113.62 106.28 1g65 n SER 18 Ca 0.00 -2.03 -0.34 0.00 -0.26 0.00 0.00 58.87 56.24 1g65 n SER 18 Cb 0.00 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 1g65 n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1g65 s ARG 19 N -1.61 3.17 -0.06 4.33 3.52 -1.22 -1.43 118.95 125.66 1g65 s ARG 19 Ca 0.26 -0.48 0.02 0.00 -0.13 0.00 0.00 55.73 55.40 1g65 s ARG 19 Cb 0.33 -2.79 0.01 0.00 -1.56 0.00 0.00 34.95 30.95 1g65 s ARG 19 CO -0.10 0.53 -0.10 0.95 -0.81 0.00 0.00 175.30 175.77 1g65 s THR 20 N -0.41 0.97 0.13 4.11 -4.23 0.08 -4.60 115.64 111.68 1g65 s THR 20 Ca 0.07 -0.39 0.06 0.00 -1.18 0.00 0.00 61.69 60.25 1g65 s THR 20 Cb -0.12 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 1g65 s THR 20 CO 0.02 0.32 -0.14 0.42 -0.54 0.00 0.00 174.62 174.70 1g65 s THR 21 N 0.70 1.34 -0.63 3.99 -4.23 -1.26 0.58 115.64 116.14 1g65 s THR 21 Ca -0.14 -1.79 0.05 0.00 -1.18 0.00 0.00 61.69 58.63 1g65 s THR 21 Cb -0.15 -1.60 0.16 0.00 1.34 0.00 0.00 72.50 72.24 1g65 s THR 21 CO 0.03 -0.46 0.41 0.42 -0.54 0.00 0.00 174.62 174.47 1g65 s THR 22 N -2.32 2.69 0.00 3.99 -4.23 -0.93 -4.85 115.64 109.99 1g65 s THR 22 Ca 0.11 -3.89 0.00 0.00 -1.18 0.00 0.00 61.69 56.72 1g65 s THR 22 Cb -0.04 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1g65 s THR 22 CO 0.03 -0.94 0.00 0.61 -0.54 0.00 0.00 174.62 173.78 1g65 n GLY 23 N 2.39 1.55 0.28 3.99 0.00 -1.26 -2.92 105.19 109.23 1g65 n GLY 23 Ca 0.15 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1g65 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g65 n ALA 24 N 6.06 2.36 -2.23 4.61 0.00 -1.26 -4.97 120.51 125.07 1g65 n ALA 24 Ca 0.00 -0.72 -0.34 0.00 0.00 0.00 0.00 53.44 52.38 1g65 n ALA 24 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.17 1g65 n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1g65 s TYR 25 N -0.67 3.52 -0.49 0.00 5.04 -1.15 -5.02 117.35 118.57 1g65 s TYR 25 Ca 0.09 1.16 -0.16 0.00 -2.44 0.00 0.00 57.07 55.72 1g65 s TYR 25 Cb 0.06 -2.46 0.08 0.00 0.35 0.00 0.00 41.96 39.98 1g65 s TYR 25 CO 0.08 0.28 0.44 0.42 -1.34 0.00 0.00 175.55 175.43 1g65 s ILE 26 N -1.70 5.19 0.12 3.14 1.01 -1.26 -2.20 121.20 125.50 1g65 s ILE 26 Ca 0.46 -1.08 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 1g65 s ILE 26 Cb -0.13 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1g65 s ILE 26 CO 0.19 -0.66 1.68 0.00 0.00 0.00 0.00 174.94 176.16 1g65 h ALA 27 N 8.81 0.43 -2.81 9.38 0.00 -0.19 -3.43 119.26 131.45 1g65 h ALA 27 Ca -0.29 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 1g65 h ALA 27 Cb 1.11 -0.13 -0.29 0.00 0.00 0.00 0.00 17.79 18.48 1g65 h ALA 27 CO 0.92 0.01 -0.41 1.21 0.00 0.00 0.00 179.25 180.98 1g65 s ASN 28 N -5.73 -0.27 0.00 0.00 2.47 -0.96 -5.00 114.94 105.45 1g65 s ASN 28 Ca -0.13 0.72 0.24 0.00 0.42 0.00 0.00 52.86 54.11 1g65 s ASN 28 Cb 0.09 0.68 0.31 0.00 -1.45 0.00 0.00 41.25 40.89 1g65 s ASN 28 CO 0.73 -0.19 1.32 -2.11 -3.72 0.00 0.00 177.10 173.13 1g65 n ARG 29 N 4.52 2.01 -1.16 0.43 1.85 -1.26 -0.75 116.66 122.31 1g65 n ARG 29 Ca -0.20 -1.60 0.01 0.00 -1.00 0.00 0.00 57.85 55.06 1g65 n ARG 29 Cb 0.53 -1.47 0.13 0.00 -1.05 0.00 0.00 32.46 30.60 1g65 n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1g65 n VAL 30 N 0.90 1.59 -1.10 8.89 0.24 -0.98 -4.34 118.33 123.53 1g65 n VAL 30 Ca 0.14 -2.74 -0.32 0.00 -2.04 0.00 0.00 64.34 59.38 1g65 n VAL 30 Cb 0.53 0.08 0.12 0.00 -1.47 0.00 0.00 33.84 33.11 1g65 n VAL 30 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1g65 s THR 31 N -2.56 2.54 -0.31 3.34 2.01 -0.51 -5.02 115.64 115.13 1g65 s THR 31 Ca 0.38 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.59 1g65 s THR 31 Cb 0.38 -2.51 0.07 0.00 0.01 0.00 0.00 72.50 70.45 1g65 s THR 31 CO -0.08 -0.20 -0.00 -0.62 -0.69 0.00 0.00 174.62 173.02 1g65 s ASP 32 N -2.70 4.74 0.00 3.53 3.68 -1.26 -4.51 116.67 120.15 1g65 s ASP 32 Ca 0.67 -1.62 0.22 0.00 2.13 0.00 0.00 52.55 53.95 1g65 s ASP 32 Cb -0.23 -1.65 0.60 0.00 -1.45 0.00 0.00 42.92 40.19 1g65 s ASP 32 CO 0.53 -0.30 1.50 0.29 0.13 0.00 0.00 175.17 177.33 1g65 n LYS 33 N 4.46 2.71 -3.63 4.34 5.02 -1.26 -4.77 118.16 125.03 1g65 n LYS 33 Ca -0.08 -2.58 -0.40 0.00 -2.02 0.00 0.00 58.31 53.24 1g65 n LYS 33 Cb 0.42 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 1g65 n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1g65 s LEU 34 N -1.05 4.55 -0.04 -0.35 1.43 -1.26 -1.50 118.68 120.46 1g65 s LEU 34 Ca 0.46 -0.94 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1g65 s LEU 34 Cb 0.24 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1g65 s LEU 34 CO 0.32 -0.35 -0.24 -0.89 0.23 0.00 0.00 176.35 175.42 1g65 s THR 35 N 1.54 1.96 -0.09 5.49 2.01 -0.22 -4.97 115.64 121.37 1g65 s THR 35 Ca 0.02 -1.04 -0.22 0.00 0.31 0.00 0.00 61.69 60.76 1g65 s THR 35 Cb -0.19 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 1g65 s THR 35 CO 0.06 0.55 0.65 -0.60 -0.69 0.00 0.00 174.62 174.59 1g65 s ARG 36 N -0.35 4.40 -0.01 4.92 3.52 -1.26 -0.22 118.95 129.95 1g65 s ARG 36 Ca 0.03 0.78 0.09 0.00 -0.13 0.00 0.00 55.73 56.50 1g65 s ARG 36 Cb -0.12 -3.46 -0.13 0.00 -1.56 0.00 0.00 34.95 29.69 1g65 s ARG 36 CO 0.01 0.05 0.23 1.33 -0.81 0.00 0.00 175.30 176.11 1g65 n VAL 37 N 3.85 0.00 -3.49 7.11 0.24 -0.47 -4.91 118.33 120.66 1g65 n VAL 37 Ca -0.02 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 61.93 1g65 n VAL 37 Cb 0.51 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.27 1g65 n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1g65 s HIS 38 N -2.48 -0.49 0.28 6.34 5.65 -0.64 -4.47 115.29 119.48 1g65 s HIS 38 Ca -0.02 0.39 0.07 0.00 0.25 0.00 0.00 55.06 55.74 1g65 s HIS 38 Cb 0.06 0.46 0.81 0.00 -1.18 0.00 0.00 32.58 32.73 1g65 s HIS 38 CO 0.37 -0.76 1.34 -0.25 -0.65 0.00 0.00 174.74 174.79 1g65 n ASP 39 N -0.07 0.03 -2.51 9.88 8.00 -1.26 -1.25 116.55 129.37 1g65 n ASP 39 Ca -0.17 1.44 -0.10 0.00 0.71 0.00 0.00 54.79 56.67 1g65 n ASP 39 Cb 0.63 -0.58 0.04 0.00 -0.02 0.00 0.00 41.12 41.19 1g65 n ASP 39 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1g65 n LYS 40 N -5.14 2.48 -3.55 -1.24 5.02 -1.26 -4.95 118.16 109.52 1g65 n LYS 40 Ca 0.24 -3.78 -0.22 0.00 -2.02 0.00 0.00 58.31 52.53 1g65 n LYS 40 Cb 0.80 -1.87 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 1g65 n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1g65 s ILE 41 N -4.13 -0.22 0.32 -0.18 1.01 -0.38 -0.78 121.20 116.84 1g65 s ILE 41 Ca 0.37 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.96 1g65 s ILE 41 Cb 0.36 -0.63 -0.06 0.00 0.01 0.00 0.00 42.46 42.14 1g65 s ILE 41 CO -0.01 -0.24 -0.04 0.26 0.00 0.00 0.00 174.94 174.91 1g65 s TRP 42 N 2.24 2.16 0.03 3.97 0.52 0.91 -1.37 118.94 127.41 1g65 s TRP 42 Ca 0.05 -0.67 0.02 0.00 0.02 0.00 0.00 56.10 55.51 1g65 s TRP 42 Cb -0.16 -1.31 -0.02 0.00 -1.15 0.00 0.00 33.47 30.84 1g65 s TRP 42 CO -0.11 0.35 -0.06 0.00 0.02 0.00 0.00 176.95 177.15 1g65 s ARG 45 N 0.12 3.78 -0.08 0.00 0.52 -0.56 -1.55 118.95 121.19 1g65 s ARG 45 Ca 0.06 -0.41 -0.03 0.00 -0.52 0.00 0.00 55.73 54.83 1g65 s ARG 45 Cb -0.12 -3.07 0.04 0.00 0.52 0.00 0.00 34.95 32.32 1g65 s ARG 45 CO 0.00 0.30 0.16 -1.54 0.02 0.00 0.00 175.30 174.25 1g65 s SER 46 N 0.25 0.15 0.00 0.23 1.04 -0.94 -4.93 113.70 109.50 1g65 s SER 46 Ca 0.01 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1g65 s SER 46 Cb -0.13 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1g65 s SER 46 CO 0.01 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1g65 n GLY 47 N 4.59 0.43 3.76 7.32 0.00 -1.26 -0.36 105.19 119.68 1g65 n GLY 47 Ca -0.19 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1g65 n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g65 s SER 48 N -4.00 6.97 -0.05 1.61 0.15 -0.49 -4.95 113.70 112.94 1g65 s SER 48 Ca 0.00 2.51 -0.23 0.00 0.70 0.00 0.00 55.95 58.93 1g65 s SER 48 Cb 0.00 -2.64 -0.17 0.00 -1.71 0.00 0.00 66.02 61.50 1g65 s SER 48 CO 0.00 -0.39 0.96 0.00 1.20 0.00 0.00 173.24 175.01 1g65 h ALA 49 N 3.72 -0.17 -0.06 5.45 0.00 -1.97 -2.48 119.26 123.75 1g65 h ALA 49 Ca -0.48 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.22 1g65 h ALA 49 Cb 1.22 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1g65 h ALA 49 CO 0.67 -0.29 -0.44 0.00 0.00 0.00 0.00 179.25 179.20 1g65 h ALA 50 N -0.13 -0.68 -0.40 0.00 0.00 -1.97 0.19 119.26 116.26 1g65 h ALA 50 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1g65 h ALA 50 Cb 0.55 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 1g65 h ALA 50 CO 0.03 -0.97 -0.11 -0.44 0.00 0.00 0.00 179.25 177.76 1g65 h ASP 51 N -0.56 -0.40 -0.18 0.00 5.19 -1.89 0.23 116.42 118.81 1g65 h ASP 51 Ca 0.05 0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.47 1g65 h ASP 51 Cb 0.65 0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.41 1g65 h ASP 51 CO -0.36 -0.14 -0.27 0.71 -3.12 0.00 0.00 179.24 176.06 1g65 h THR 52 N -0.01 1.28 0.46 0.35 1.35 -0.85 0.90 112.91 116.38 1g65 h THR 52 Ca 0.20 -1.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.66 1g65 h THR 52 Cb 0.31 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1g65 h THR 52 CO -0.42 0.45 -0.22 1.56 -0.25 0.00 0.00 175.52 176.63 1g65 h GLN 53 N 0.57 -0.59 -0.56 4.72 4.20 -0.14 0.11 115.11 123.42 1g65 h GLN 53 Ca 0.07 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.93 1g65 h GLN 53 Cb 0.76 0.13 -0.11 0.00 0.30 0.00 0.00 27.48 28.56 1g65 h GLN 53 CO 0.06 -0.30 -0.26 0.00 -0.67 0.00 0.00 178.83 177.66 1g65 h ALA 54 N -0.39 0.12 0.06 3.87 0.00 -0.38 0.20 119.26 122.73 1g65 h ALA 54 Ca -0.06 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1g65 h ALA 54 Cb 0.56 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1g65 h ALA 54 CO 0.10 -0.58 -0.03 0.82 0.00 0.00 0.00 179.25 179.56 1g65 h ILE 55 N -0.12 0.97 -0.32 0.00 2.04 -0.66 -2.40 117.51 117.02 1g65 h ILE 55 Ca 0.25 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 66.04 1g65 h ILE 55 Cb 0.52 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1g65 h ILE 55 CO -0.64 0.03 0.11 0.00 0.00 0.00 0.00 178.15 177.65 1g65 h ALA 56 N 0.81 0.37 -0.96 1.87 0.00 0.33 -0.53 119.26 121.15 1g65 h ALA 56 Ca -0.01 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.10 1g65 h ALA 56 Cb 0.11 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1g65 h ALA 56 CO 0.01 -0.29 0.57 -0.44 0.00 0.00 0.00 179.25 179.11 1g65 h ASP 57 N 0.25 0.75 -0.23 0.00 3.45 -0.46 -0.38 116.42 119.80 1g65 h ASP 57 Ca 0.15 0.08 -0.20 0.00 0.43 0.00 0.00 57.03 57.49 1g65 h ASP 57 Cb 0.12 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1g65 h ASP 57 CO -0.15 0.32 -0.63 0.40 -1.57 0.00 0.00 179.24 177.61 1g65 h ILE 58 N 0.79 1.28 -0.24 0.35 2.04 -0.86 -2.71 117.51 118.15 1g65 h ILE 58 Ca 0.53 -1.82 -0.07 0.00 1.00 0.00 0.00 64.86 64.50 1g65 h ILE 58 Cb 0.72 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1g65 h ILE 58 CO -0.35 0.59 -0.14 0.58 0.00 0.00 0.00 178.15 178.83 1g65 h VAL 59 N 0.60 1.22 0.12 1.67 2.07 0.45 -0.35 116.25 122.03 1g65 h VAL 59 Ca -0.01 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1g65 h VAL 59 Cb 1.25 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1g65 h VAL 59 CO 0.14 0.31 -0.06 -0.61 0.02 0.00 0.00 177.57 177.37 1g65 h GLN 60 N 0.38 -0.16 0.29 1.57 4.15 -1.12 -0.31 115.11 119.91 1g65 h GLN 60 Ca 0.07 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1g65 h GLN 60 Cb 0.47 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 1g65 h GLN 60 CO 0.03 -0.03 -0.44 -0.92 -1.93 0.00 0.00 178.83 175.54 1g65 h TYR 61 N -0.25 -1.24 -0.95 3.99 3.20 -1.05 0.30 116.97 120.97 1g65 h TYR 61 Ca -0.02 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.07 1g65 h TYR 61 Cb 0.20 0.50 -0.11 0.00 1.54 0.00 0.00 36.73 38.86 1g65 h TYR 61 CO -0.04 -0.55 0.53 0.45 -1.64 0.00 0.00 178.16 176.91 1g65 h HIS 62 N -0.77 0.92 -0.38 -3.82 3.86 -1.02 -0.29 115.15 113.65 1g65 h HIS 62 Ca -0.03 0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 1g65 h HIS 62 Cb 0.70 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1g65 h HIS 62 CO -0.31 0.13 -0.37 -0.07 0.86 0.00 0.00 177.93 178.17 1g65 h LEU 63 N 0.63 0.97 -0.05 2.43 3.38 -0.29 0.19 115.31 122.57 1g65 h LEU 63 Ca 0.57 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1g65 h LEU 63 Cb 0.95 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1g65 h LEU 63 CO -0.43 1.23 -0.12 -0.08 0.09 0.00 0.00 178.44 179.13 1g65 h GLU 64 N 0.75 -0.17 -0.77 1.13 4.81 0.13 0.21 114.58 120.67 1g65 h GLU 64 Ca 0.07 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1g65 h GLU 64 Cb 0.95 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1g65 h GLU 64 CO 0.09 -0.11 0.40 1.25 -0.73 0.00 0.00 179.01 179.91 1g65 h LEU 65 N -0.17 0.97 -0.07 1.64 5.85 -1.23 -1.63 115.31 120.67 1g65 h LEU 65 Ca 0.06 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1g65 h LEU 65 Cb 0.25 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1g65 h LEU 65 CO -0.15 0.79 -0.01 0.22 -0.34 0.00 0.00 178.44 178.95 1g65 h TYR 66 N 1.08 -0.03 0.05 1.25 3.20 0.10 -2.12 116.97 120.49 1g65 h TYR 66 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1g65 h TYR 66 Cb 0.06 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1g65 h TYR 66 CO 0.01 -0.02 -0.17 1.15 -1.64 0.00 0.00 178.16 177.49 1g65 h THR 67 N 0.01 0.00 -0.97 1.81 2.02 0.26 0.39 112.91 116.43 1g65 h THR 67 Ca 0.03 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.43 1g65 h THR 67 Cb 0.05 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.27 1g65 h THR 67 CO -0.07 0.00 -0.16 0.28 0.37 0.00 0.00 175.52 175.94 1g65 h SER 68 N -0.24 -0.77 0.01 4.18 0.02 -1.28 0.33 113.55 115.80 1g65 h SER 68 Ca -0.00 0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1g65 h SER 68 Cb 0.24 0.56 0.01 0.00 0.14 0.00 0.00 62.40 63.35 1g65 h SER 68 CO -0.09 -0.33 -0.23 1.56 -1.14 0.00 0.00 176.83 176.60 1g65 h GLN 69 N 0.00 0.14 0.00 3.45 4.20 -0.93 -3.41 115.11 118.57 1g65 h GLN 69 Ca 0.51 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1g65 h GLN 69 Cb 0.87 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1g65 h GLN 69 CO -0.97 0.94 0.00 0.66 -0.67 0.00 0.00 178.83 178.78 1g65 n TYR 70 N -4.51 0.00 -1.48 2.96 4.02 0.13 -5.10 117.16 113.18 1g65 n TYR 70 Ca -0.10 -0.37 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 1g65 n TYR 70 Cb 0.51 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1g65 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1g65 n GLY 72 N -0.37 -1.81 3.68 2.72 0.00 0.11 -4.94 105.19 104.58 1g65 n GLY 72 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1g65 n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1g65 n THR 73 N 0.00 0.45 -2.96 2.61 -1.04 -1.26 -3.35 114.28 108.73 1g65 n THR 73 Ca 0.00 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.05 61.54 1g65 n THR 73 Cb 0.00 -2.13 -0.06 0.00 -1.82 0.00 0.00 70.33 66.32 1g65 n THR 73 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1g65 s PRO 74 N 3.13 4.55 0.89 -2.82 0.04 -1.26 -5.03 135.00 134.49 1g65 s PRO 74 Ca 0.84 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 1g65 s PRO 74 Cb -0.49 -3.15 0.13 0.00 0.04 0.00 0.00 34.50 31.02 1g65 s PRO 74 CO 0.39 0.51 1.10 -1.54 0.04 0.00 0.00 177.00 177.50 1g65 s SER 75 N -1.28 3.54 0.09 6.66 1.04 -1.26 -4.89 113.70 117.60 1g65 s SER 75 Ca 0.39 1.38 -0.17 0.00 0.48 0.00 0.00 55.95 58.04 1g65 s SER 75 Cb -0.22 -2.07 -0.07 0.00 0.10 0.00 0.00 66.02 63.76 1g65 s SER 75 CO 0.26 -2.58 1.48 0.74 0.98 0.00 0.00 173.24 174.12 1g65 h THR 76 N -1.51 1.29 -0.91 2.02 2.02 -1.94 -2.41 112.91 111.47 1g65 h THR 76 Ca -0.50 -1.15 0.22 0.00 0.77 0.00 0.00 66.41 65.76 1g65 h THR 76 Cb 1.29 1.42 -0.12 0.00 -1.74 0.00 0.00 68.15 68.99 1g65 h THR 76 CO 0.56 0.37 0.41 -0.08 0.37 0.00 0.00 175.52 177.15 1g65 h GLU 77 N 0.35 0.40 -0.31 6.66 4.81 -1.98 0.73 114.58 125.24 1g65 h GLU 77 Ca 0.07 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1g65 h GLU 77 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1g65 h GLU 77 CO 0.03 0.26 -0.26 1.15 -0.73 0.00 0.00 179.01 179.46 1g65 h THR 78 N 0.41 1.27 -0.70 0.32 2.02 -1.84 -0.78 112.91 113.62 1g65 h THR 78 Ca 0.57 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1g65 h THR 78 Cb 1.08 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1g65 h THR 78 CO -0.53 0.43 0.41 0.00 0.37 0.00 0.00 175.52 176.21 1g65 h ALA 79 N 1.18 0.89 -0.36 6.16 0.00 0.85 -2.38 119.26 125.60 1g65 h ALA 79 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1g65 h ALA 79 Cb 0.73 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1g65 h ALA 79 CO 0.06 0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.85 1g65 h ALA 80 N 1.22 0.47 -0.92 0.00 0.00 -0.51 -2.47 119.26 117.05 1g65 h ALA 80 Ca 0.25 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1g65 h ALA 80 Cb -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1g65 h ALA 80 CO -0.05 0.03 0.60 1.03 0.00 0.00 0.00 179.25 180.87 1g65 h SER 81 N 0.45 0.94 0.15 0.00 0.87 -0.85 0.40 113.55 115.52 1g65 h SER 81 Ca 0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1g65 h SER 81 Cb 0.13 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1g65 h SER 81 CO -0.02 0.61 -0.07 0.58 -0.53 0.00 0.00 176.83 177.40 1g65 h VAL 82 N 1.07 0.94 -0.14 2.23 2.07 -1.15 -0.53 116.25 120.74 1g65 h VAL 82 Ca 0.39 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1g65 h VAL 82 Cb 0.16 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1g65 h VAL 82 CO -0.14 0.09 -0.20 -0.26 0.02 0.00 0.00 177.57 177.08 1g65 h PHE 83 N -0.39 -0.52 -0.35 1.57 0.04 -0.86 -1.81 116.94 114.62 1g65 h PHE 83 Ca -0.02 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.85 1g65 h PHE 83 Cb 0.31 0.25 -0.08 0.00 2.20 0.00 0.00 35.95 38.63 1g65 h PHE 83 CO -0.01 -0.28 -0.19 -0.22 -0.60 0.00 0.00 178.31 177.01 1g65 h LYS 84 N -0.24 -0.14 -0.42 1.51 3.64 -0.13 0.06 116.57 120.85 1g65 h LYS 84 Ca 0.10 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1g65 h LYS 84 Cb 0.40 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 1g65 h LYS 84 CO -0.29 -0.09 -0.23 1.49 -2.27 0.00 0.00 179.45 178.06 1g65 h GLU 85 N -0.14 -0.14 -0.22 1.90 4.57 -0.41 0.53 114.58 120.67 1g65 h GLU 85 Ca 0.17 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1g65 h GLU 85 Cb 0.41 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1g65 h GLU 85 CO -0.43 -0.10 0.09 -0.07 -1.18 0.00 0.00 179.01 177.33 1g65 h LEU 86 N -0.15 0.30 -0.99 1.64 3.38 -0.70 -1.42 115.31 117.37 1g65 h LEU 86 Ca 0.20 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1g65 h LEU 86 Cb 0.46 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1g65 h LEU 86 CO -0.51 0.37 -0.21 0.00 0.09 0.00 0.00 178.44 178.18 1g65 h TYR 88 N 0.43 0.00 0.00 0.00 5.03 0.03 -2.90 116.97 119.56 1g65 h TYR 88 Ca 0.07 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.37 1g65 h TYR 88 Cb 0.61 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 1g65 h TYR 88 CO 0.02 0.75 -0.04 1.49 -1.32 0.00 0.00 178.16 179.06 1g65 h GLU 89 N -1.00 0.00 -0.18 1.82 4.57 -1.32 -2.56 114.58 115.91 1g65 h GLU 89 Ca -0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1g65 h GLU 89 Cb 0.75 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.28 1g65 h GLU 89 CO -0.00 0.04 -0.33 0.09 -1.18 0.00 0.00 179.01 177.63 1g65 n ASN 90 N -3.58 2.14 -0.33 1.04 3.02 -0.75 -4.84 115.26 111.96 1g65 n ASN 90 Ca -0.02 -3.86 0.16 0.00 -0.03 0.00 0.00 54.58 50.82 1g65 n ASN 90 Cb 0.15 -0.57 0.39 0.00 -0.61 0.00 0.00 39.78 39.13 1g65 n ASN 90 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1g65 h LYS 91 N 1.04 0.62 0.00 3.52 2.10 -1.24 -1.46 116.57 121.15 1g65 h LYS 91 Ca 0.11 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1g65 h LYS 91 Cb 1.29 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1g65 h LYS 91 CO 0.19 0.41 0.00 -0.44 -2.00 0.00 0.00 179.45 177.61 1g65 h ASP 92 N 0.64 0.00 -0.02 7.07 3.45 -1.88 -3.16 116.42 122.52 1g65 h ASP 92 Ca 0.56 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.02 1g65 h ASP 92 Cb 1.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 1g65 h ASP 92 CO -0.34 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 177.92 1g65 n ASN 94 N -2.44 1.75 -4.26 6.45 3.02 -0.56 -5.03 115.26 114.18 1g65 n ASN 94 Ca 0.01 -1.70 -0.26 0.00 -0.03 0.00 0.00 54.58 52.60 1g65 n ASN 94 Cb 0.20 -0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.22 1g65 n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1g65 s LEU 95 N -0.71 2.16 -0.47 3.41 1.43 -1.16 -5.06 118.68 118.28 1g65 s LEU 95 Ca 0.01 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1g65 s LEU 95 Cb 0.01 -1.00 0.13 0.00 0.03 0.00 0.00 46.19 45.36 1g65 s LEU 95 CO 0.01 0.17 0.25 -0.89 0.23 0.00 0.00 176.35 176.12 1g65 s THR 96 N -0.79 1.84 -0.17 5.49 2.01 -1.26 -4.92 115.64 117.85 1g65 s THR 96 Ca 0.08 -2.84 -0.08 0.00 0.31 0.00 0.00 61.69 59.16 1g65 s THR 96 Cb -0.09 -2.29 0.07 0.00 0.01 0.00 0.00 72.50 70.20 1g65 s THR 96 CO 0.02 -0.86 0.39 0.00 -0.69 0.00 0.00 174.62 173.48 1g65 s ALA 97 N 0.11 -1.01 -0.16 7.40 0.00 -1.26 -1.39 121.76 125.44 1g65 s ALA 97 Ca 0.17 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.59 1g65 s ALA 97 Cb -0.25 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.85 1g65 s ALA 97 CO 0.00 -0.44 -0.20 0.20 0.00 0.00 0.00 175.76 175.32 1g65 s GLY 98 N 1.85 1.33 0.03 0.00 0.00 0.52 -4.19 107.32 106.86 1g65 s GLY 98 Ca -0.06 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.59 1g65 s GLY 98 CO -0.12 0.23 -0.16 -0.42 0.00 0.00 0.00 173.10 172.63 1g65 s ILE 99 N 1.18 1.28 -0.14 0.90 1.01 0.76 -2.20 121.20 123.99 1g65 s ILE 99 Ca 0.01 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 1g65 s ILE 99 Cb -0.14 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 1g65 s ILE 99 CO -0.09 0.12 -0.11 -0.63 0.00 0.00 0.00 174.94 174.23 1g65 s ILE 100 N -0.74 3.18 -0.13 2.92 1.01 -0.60 -0.04 121.20 126.80 1g65 s ILE 100 Ca 0.04 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1g65 s ILE 100 Cb -0.08 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1g65 s ILE 100 CO 0.01 0.51 -0.11 -0.69 0.00 0.00 0.00 174.94 174.66 1g65 s VAL 101 N 0.46 3.21 -0.05 2.92 1.01 0.11 0.45 120.40 128.52 1g65 s VAL 101 Ca -0.08 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1g65 s VAL 101 Cb -0.15 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.88 1g65 s VAL 101 CO 0.04 0.52 0.17 0.00 0.00 0.00 0.00 175.10 175.83 1g65 s ALA 102 N 0.33 -0.41 0.18 5.51 0.00 0.21 -0.43 121.76 127.15 1g65 s ALA 102 Ca -0.09 0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.01 1g65 s ALA 102 Cb -0.16 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.82 1g65 s ALA 102 CO 0.05 -0.11 0.57 0.20 0.00 0.00 0.00 175.76 176.47 1g65 s GLY 103 N -0.24 -0.37 0.43 0.00 0.00 -0.85 -0.06 107.32 106.24 1g65 s GLY 103 Ca -0.03 0.13 0.07 0.00 0.00 0.00 0.00 44.72 44.88 1g65 s GLY 103 CO 0.01 -0.05 0.25 -0.47 0.00 0.00 0.00 173.10 172.84 1g65 s TYR 104 N -3.81 2.52 -0.26 1.90 6.14 0.04 -2.24 117.35 121.65 1g65 s TYR 104 Ca 0.05 -0.60 -0.01 0.00 0.64 0.00 0.00 57.07 57.15 1g65 s TYR 104 Cb -0.01 -2.00 -0.17 0.00 0.42 0.00 0.00 41.96 40.20 1g65 s TYR 104 CO -0.08 0.04 -0.23 -0.25 0.64 0.00 0.00 175.55 175.68 1g65 n ASP 105 N -1.37 1.98 0.00 4.32 9.92 -1.26 -4.82 116.55 125.32 1g65 n ASP 105 Ca -0.00 -0.05 -0.20 0.00 -0.53 0.00 0.00 54.79 54.01 1g65 n ASP 105 Cb 0.64 -0.49 -0.14 0.00 -0.64 0.00 0.00 41.12 40.49 1g65 n ASP 105 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1g65 h LYS 105 N -0.15 0.21 -0.00 -1.24 3.11 -2.05 -3.38 116.57 113.07 1g65 h LYS 105 Ca -0.59 -0.35 0.00 0.00 -2.81 0.00 0.00 60.65 56.89 1g65 h LYS 105 Cb 1.86 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 33.22 1g65 h LYS 105 CO -0.14 1.17 -0.19 0.09 -2.81 0.00 0.00 179.45 177.57 1g65 n ASN 106 N -4.17 0.56 0.00 4.20 3.02 -1.26 -5.03 115.26 112.59 1g65 n ASN 106 Ca -0.18 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1g65 n ASN 106 Cb 0.78 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 1g65 n ASN 106 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1g65 n LYS 107 N -1.01 0.00 -3.97 3.52 4.81 -1.26 -4.69 118.16 115.56 1g65 n LYS 107 Ca 0.12 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.23 1g65 n LYS 107 Cb 0.31 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.30 1g65 n LYS 107 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1g65 s GLY 108 N 0.00 2.13 -0.06 3.14 0.00 -1.25 -4.42 107.32 106.86 1g65 s GLY 108 Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 44.72 43.84 1g65 s GLY 108 CO 0.00 -0.69 0.21 -0.54 0.00 0.00 0.00 173.10 172.08 1g65 s GLU 109 N -1.89 0.34 -0.06 2.90 2.02 -0.95 -4.93 118.70 116.13 1g65 s GLU 109 Ca 0.26 0.09 0.01 0.00 0.02 0.00 0.00 54.97 55.36 1g65 s GLU 109 Cb -0.12 0.16 0.02 0.00 0.10 0.00 0.00 34.13 34.28 1g65 s GLU 109 CO 0.17 -0.06 -0.08 0.08 0.02 0.00 0.00 175.26 175.39 1g65 s VAL 110 N -0.36 0.85 -0.04 2.63 1.01 -1.26 -2.01 120.40 121.22 1g65 s VAL 110 Ca -0.05 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1g65 s VAL 110 Cb -0.03 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 1g65 s VAL 110 CO 0.01 0.30 -0.17 -0.31 0.00 0.00 0.00 175.10 174.93 1g65 s TYR 111 N 0.89 1.68 -0.11 5.22 1.51 0.43 -1.43 117.35 125.55 1g65 s TYR 111 Ca -0.11 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 1g65 s TYR 111 Cb -0.15 -1.14 -0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1g65 s TYR 111 CO 0.01 -0.17 -0.16 -0.08 -1.11 0.00 0.00 175.55 174.04 1g65 s THR 112 N 0.06 2.77 -0.36 -0.71 -1.32 0.19 0.10 115.64 116.37 1g65 s THR 112 Ca -0.04 -0.78 0.04 0.00 -1.21 0.00 0.00 61.69 59.70 1g65 s THR 112 Cb -0.12 -2.12 0.10 0.00 -1.51 0.00 0.00 72.50 68.86 1g65 s THR 112 CO 0.02 0.54 0.08 -0.63 -2.21 0.00 0.00 174.62 172.43 1g65 s ILE 113 N 0.15 2.37 1.02 5.08 1.01 0.95 -0.62 121.20 131.16 1g65 s ILE 113 Ca -0.09 -2.42 -0.17 0.00 0.00 0.00 0.00 60.65 57.97 1g65 s ILE 113 Cb -0.15 -2.74 0.23 0.00 0.01 0.00 0.00 42.46 39.81 1g65 s ILE 113 CO 0.05 -0.62 1.31 -2.16 0.00 0.00 0.00 174.94 173.52 1g65 s PRO 114 N 0.80 0.15 0.32 2.79 0.04 -1.24 -0.17 135.00 137.69 1g65 s PRO 114 Ca 0.11 -0.44 0.09 0.00 0.04 0.00 0.00 61.00 60.81 1g65 s PRO 114 Cb -0.20 -1.79 0.90 0.00 0.04 0.00 0.00 34.50 33.45 1g65 s PRO 114 CO -0.07 -2.74 1.70 -0.07 0.04 0.00 0.00 177.00 175.86 1g65 h LEU 115 N -1.88 0.53 0.00 -3.56 4.07 -1.93 -1.10 115.31 111.44 1g65 h LEU 115 Ca -0.44 0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.68 1g65 h LEU 115 Cb 1.23 0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.06 1g65 h LEU 115 CO 0.33 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.31 1g65 n GLY 116 N -1.31 -0.98 1.10 0.83 0.00 -1.26 -4.84 105.19 98.74 1g65 n GLY 116 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1g65 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g65 n GLY 117 N 0.27 0.71 3.86 -0.02 0.00 -0.41 -4.61 105.19 104.98 1g65 n GLY 117 Ca 0.07 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1g65 n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1g65 s SER 118 N -2.13 5.55 -0.03 1.61 1.04 -1.26 -4.42 113.70 114.06 1g65 s SER 118 Ca 0.00 1.30 0.05 0.00 0.48 0.00 0.00 55.95 57.78 1g65 s SER 118 Cb 0.00 -2.17 -0.01 0.00 0.10 0.00 0.00 66.02 63.94 1g65 s SER 118 CO 0.00 -1.29 -0.17 -0.69 0.98 0.00 0.00 173.24 172.07 1g65 s VAL 119 N -3.24 1.38 -0.04 5.02 1.01 -1.26 -3.71 120.40 119.56 1g65 s VAL 119 Ca 0.58 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1g65 s VAL 119 Cb -0.12 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1g65 s VAL 119 CO 0.53 0.40 -0.03 -1.00 0.00 0.00 0.00 175.10 175.00 1g65 s HIS 120 N -0.17 0.63 -0.20 5.22 3.76 0.21 -4.96 115.29 119.77 1g65 s HIS 120 Ca 0.01 -0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 54.67 1g65 s HIS 120 Cb -0.09 -0.61 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 1g65 s HIS 120 CO 0.01 -0.18 0.16 0.21 -0.85 0.00 0.00 174.74 174.08 1g65 s LYS 121 N 1.02 4.17 0.07 1.40 2.20 -1.26 0.55 119.74 127.89 1g65 s LYS 121 Ca -0.10 -0.19 -0.08 0.00 -0.36 0.00 0.00 55.97 55.24 1g65 s LYS 121 Cb -0.14 -3.45 -0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1g65 s LYS 121 CO -0.01 0.24 0.17 -0.51 -0.36 0.00 0.00 175.35 174.88 1g65 s LEU 122 N 0.54 1.50 0.47 5.43 1.43 -0.51 -5.00 118.68 122.53 1g65 s LEU 122 Ca 0.09 -0.60 0.16 0.00 -1.03 0.00 0.00 54.13 52.76 1g65 s LEU 122 Cb -0.12 0.94 1.14 0.00 0.03 0.00 0.00 46.19 48.18 1g65 s LEU 122 CO 0.00 -0.67 2.02 -0.65 0.23 0.00 0.00 176.35 177.28 1g65 h PRO 123 N 3.00 0.25 -2.47 1.29 0.11 -1.95 -3.36 132.00 128.86 1g65 h PRO 123 Ca -0.33 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.91 1g65 h PRO 123 Cb 1.19 -0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1g65 h PRO 123 CO 0.55 0.17 0.43 1.52 -0.21 0.00 0.00 178.00 180.45 1g65 s TYR 124 N -5.26 -0.17 0.07 0.65 -0.85 -1.26 -2.37 117.35 108.16 1g65 s TYR 124 Ca -0.07 -0.15 -0.21 0.00 -0.52 0.00 0.00 57.07 56.13 1g65 s TYR 124 Cb 0.19 0.64 0.05 0.00 0.38 0.00 0.00 41.96 43.22 1g65 s TYR 124 CO 0.73 -0.88 0.49 0.00 -1.52 0.00 0.00 175.55 174.38 1g65 s ALA 125 N -3.40 -1.25 0.04 9.51 0.00 -0.55 -4.99 121.76 121.13 1g65 s ALA 125 Ca 0.11 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1g65 s ALA 125 Cb -0.02 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1g65 s ALA 125 CO 0.02 -0.55 -0.08 0.96 0.00 0.00 0.00 175.76 176.11 1g65 s ILE 126 N -2.80 0.55 0.28 0.00 -4.36 -1.26 -1.28 121.20 112.32 1g65 s ILE 126 Ca -0.03 -1.03 -0.20 0.00 -0.26 0.00 0.00 60.65 59.12 1g65 s ILE 126 Cb -0.00 -0.60 0.05 0.00 1.25 0.00 0.00 42.46 43.15 1g65 s ILE 126 CO -0.05 -0.35 0.84 0.00 0.24 0.00 0.00 174.94 175.63 1g65 s ALA 127 N -1.30 -1.20 0.00 2.27 0.00 -0.11 -4.98 121.76 116.43 1g65 s ALA 127 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1g65 s ALA 127 Cb -0.10 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1g65 s ALA 127 CO 0.00 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1g65 n GLY 128 N -0.52 2.35 0.22 0.00 0.00 -1.26 -1.47 105.19 104.52 1g65 n GLY 128 Ca -0.06 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.07 1g65 n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g65 h SER 129 N 0.00 -0.26 0.21 1.61 4.64 -0.91 0.13 113.55 118.98 1g65 h SER 129 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1g65 h SER 129 Cb 0.00 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1g65 h SER 129 CO 0.00 -0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 1g65 n GLY 130 N -1.35 -0.65 0.26 -0.77 0.00 -1.17 -3.48 105.19 98.03 1g65 n GLY 130 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1g65 n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g65 h SER 131 N 0.00 0.65 -0.95 1.61 4.64 -0.94 -3.17 113.55 115.38 1g65 h SER 131 Ca 0.00 -0.19 0.26 0.00 -0.47 0.00 0.00 61.79 61.39 1g65 h SER 131 Cb 0.11 -0.17 -0.13 0.00 -0.31 0.00 0.00 62.40 61.89 1g65 h SER 131 CO 0.00 0.81 0.47 0.71 -0.87 0.00 0.00 176.83 177.95 1g65 h THR 132 N 0.59 0.41 0.00 2.95 1.35 -1.75 -0.60 112.91 115.86 1g65 h THR 132 Ca 0.10 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.81 1g65 h THR 132 Cb 0.59 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1g65 h THR 132 CO 0.04 0.07 -0.07 -0.26 -0.25 0.00 0.00 175.52 175.05 1g65 h PHE 133 N 0.39 0.00 -0.54 4.73 0.04 -1.83 -2.76 116.94 116.96 1g65 h PHE 133 Ca 0.63 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.40 1g65 h PHE 133 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1g65 h PHE 133 CO -0.09 0.07 0.00 0.44 -0.60 0.00 0.00 178.31 178.13 1g65 n ILE 134 N -4.03 0.88 -0.26 -0.55 -5.35 -0.24 -4.44 119.36 105.36 1g65 n ILE 134 Ca -0.03 -0.94 0.01 0.00 -0.27 0.00 0.00 62.75 61.53 1g65 n ILE 134 Cb 0.16 0.61 0.14 0.00 -1.74 0.00 0.00 39.64 38.81 1g65 n ILE 134 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1g65 h TYR 135 N 3.62 0.75 0.88 4.28 0.05 -1.46 0.22 116.97 125.31 1g65 h TYR 135 Ca 0.00 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 1g65 h TYR 135 Cb 0.90 -0.23 0.01 0.00 1.01 0.00 0.00 36.73 38.42 1g65 h TYR 135 CO 0.36 0.31 -0.42 0.78 -1.05 0.00 0.00 178.16 178.14 1g65 h GLY 136 N 0.72 -1.24 0.21 3.88 0.00 -1.82 -1.19 103.07 103.62 1g65 h GLY 136 Ca 0.36 0.46 0.01 0.00 0.00 0.00 0.00 47.33 48.15 1g65 h GLY 136 CO -0.24 -0.45 -0.52 -1.82 0.00 0.00 0.00 176.54 173.51 1g65 h TYR 137 N -1.32 -1.50 -0.71 5.60 3.20 -1.76 -1.30 116.97 119.18 1g65 h TYR 137 Ca -0.12 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.90 1g65 h TYR 137 Cb 0.91 0.63 -0.08 0.00 1.54 0.00 0.00 36.73 39.73 1g65 h TYR 137 CO -0.00 -0.62 0.30 0.00 -1.64 0.00 0.00 178.16 176.21 1g65 h ASP 139 N 0.49 0.00 0.08 0.00 1.82 -0.80 -2.12 116.42 115.89 1g65 h ASP 139 Ca 0.37 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.72 1g65 h ASP 139 Cb 0.49 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 1g65 h ASP 139 CO -0.34 0.07 -1.56 0.11 -1.61 0.00 0.00 179.24 175.92 1g65 h LYS 140 N 0.00 0.17 -0.54 0.28 1.79 0.84 -3.40 116.57 115.72 1g65 h LYS 140 Ca -0.00 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1g65 h LYS 140 Cb 0.32 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1g65 h LYS 140 CO 0.01 1.14 0.00 0.09 -1.08 0.00 0.00 179.45 179.61 1g65 n ASN 141 N -3.94 2.94 -4.50 0.86 4.13 0.55 -4.91 115.26 110.39 1g65 n ASN 141 Ca -0.29 -2.13 -0.34 0.00 1.68 0.00 0.00 54.58 53.49 1g65 n ASN 141 Cb 0.88 -0.39 -0.12 0.00 -1.54 0.00 0.00 39.78 38.61 1g65 n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1g65 s PHE 142 N -1.51 3.08 0.12 3.10 5.36 -0.81 -4.99 117.98 122.32 1g65 s PHE 142 Ca 0.34 -0.30 0.06 0.00 -0.96 0.00 0.00 56.93 56.07 1g65 s PHE 142 Cb 0.19 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.79 1g65 s PHE 142 CO 0.20 -0.10 -0.15 1.03 -1.46 0.00 0.00 175.22 174.74 1g65 s ARG 143 N 0.70 1.01 0.60 10.12 0.52 -1.26 -4.99 118.95 125.65 1g65 s ARG 143 Ca 0.00 -1.21 -0.10 0.00 -0.52 0.00 0.00 55.73 53.90 1g65 s ARG 143 Cb -0.14 -0.94 -0.04 0.00 0.52 0.00 0.00 34.95 34.35 1g65 s ARG 143 CO 0.02 0.19 0.99 -1.21 0.02 0.00 0.00 175.30 175.31 1g65 s GLU 144 N -2.51 3.60 -1.65 3.54 2.02 -1.26 -4.25 118.70 118.19 1g65 s GLU 144 Ca 0.08 0.67 -0.03 0.00 0.02 0.00 0.00 54.97 55.71 1g65 s GLU 144 Cb -0.06 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1g65 s GLU 144 CO 0.03 -0.51 0.32 0.09 0.02 0.00 0.00 175.26 175.21 1g65 n ASN 145 N -2.65 -5.94 -3.48 -0.19 5.03 -1.26 -4.96 115.26 101.80 1g65 n ASN 145 Ca 0.05 -0.16 -0.31 0.00 0.87 0.00 0.00 54.58 55.04 1g65 n ASN 145 Cb 0.54 -4.87 0.27 0.00 -1.02 0.00 0.00 39.78 34.71 1g65 n ASN 145 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1g65 s MET 146 N -5.40 -2.44 0.23 3.52 -1.94 -1.26 -4.27 119.30 107.73 1g65 s MET 146 Ca 0.16 -0.01 0.07 0.00 -1.71 0.00 0.00 55.69 54.20 1g65 s MET 146 Cb -0.07 -1.45 -0.04 0.00 2.01 0.00 0.00 34.83 35.28 1g65 s MET 146 CO 0.20 -4.52 0.11 -1.54 -0.01 0.00 0.00 175.02 169.26 1g65 s SER 147 N -3.51 5.20 0.18 3.03 1.04 -1.26 -2.46 113.70 115.92 1g65 s SER 147 Ca 0.70 -0.34 -0.22 0.00 0.48 0.00 0.00 55.95 56.57 1g65 s SER 147 Cb -0.11 -1.23 0.10 0.00 0.10 0.00 0.00 66.02 64.88 1g65 s SER 147 CO 0.57 0.01 1.58 0.50 0.98 0.00 0.00 173.24 176.88 1g65 h LYS 148 N 1.93 -0.18 -0.53 4.02 3.64 -1.98 0.21 116.57 123.67 1g65 h LYS 148 Ca -0.47 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.01 1g65 h LYS 148 Cb 1.23 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.02 1g65 h LYS 148 CO 0.61 -0.12 0.15 1.05 -2.27 0.00 0.00 179.45 178.86 1g65 h GLU 149 N -0.19 0.29 0.14 1.90 4.11 -1.99 0.11 114.58 118.95 1g65 h GLU 149 Ca 0.21 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.62 1g65 h GLU 149 Cb 0.55 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1g65 h GLU 149 CO -0.66 0.20 -0.07 0.93 0.07 0.00 0.00 179.01 179.48 1g65 h GLU 150 N 0.30 -0.18 -0.89 1.06 5.08 -1.33 -2.70 114.58 115.93 1g65 h GLU 150 Ca 0.26 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1g65 h GLU 150 Cb 0.34 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1g65 h GLU 150 CO -0.31 0.01 0.56 1.15 -1.00 0.00 0.00 179.01 179.42 1g65 h THR 151 N -0.34 1.08 -0.82 1.13 2.02 -0.33 -0.84 112.91 114.81 1g65 h THR 151 Ca -0.02 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1g65 h THR 151 Cb 0.28 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.59 1g65 h THR 151 CO 0.03 0.19 0.53 0.58 0.37 0.00 0.00 175.52 177.22 1g65 h VAL 152 N 1.04 1.22 0.42 3.16 2.07 -0.72 -1.82 116.25 121.61 1g65 h VAL 152 Ca 0.38 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1g65 h VAL 152 Cb 0.12 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1g65 h VAL 152 CO -0.16 0.22 -0.20 0.44 0.02 0.00 0.00 177.57 177.89 1g65 h ASP 153 N 1.13 -0.47 -0.76 0.57 3.45 -0.89 -0.69 116.42 118.75 1g65 h ASP 153 Ca 0.30 -0.11 0.17 0.00 0.43 0.00 0.00 57.03 57.82 1g65 h ASP 153 Cb -0.10 0.12 -0.12 0.00 -0.56 0.00 0.00 39.33 38.68 1g65 h ASP 153 CO -0.06 -0.12 0.14 0.15 -1.57 0.00 0.00 179.24 177.78 1g65 h PHE 154 N -0.88 0.19 -0.24 4.55 3.57 -1.04 0.53 116.94 123.63 1g65 h PHE 154 Ca -0.06 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1g65 h PHE 154 Cb 0.56 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1g65 h PHE 154 CO 0.01 -0.15 0.04 0.82 -2.23 0.00 0.00 178.31 176.80 1g65 h ILE 155 N 0.21 1.23 -0.92 1.41 2.04 -1.33 0.42 117.51 120.57 1g65 h ILE 155 Ca 0.43 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1g65 h ILE 155 Cb 0.77 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 1g65 h ILE 155 CO -0.57 0.24 0.61 0.50 0.00 0.00 0.00 178.15 178.93 1g65 h LYS 156 N 0.20 1.17 -0.00 2.37 3.64 0.77 0.15 116.57 124.87 1g65 h LYS 156 Ca 0.07 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1g65 h LYS 156 Cb 0.33 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1g65 h LYS 156 CO 0.00 0.77 -0.01 0.45 -2.27 0.00 0.00 179.45 178.40 1g65 h HIS 157 N 1.20 0.01 -0.00 1.91 3.86 0.01 -2.26 115.15 119.87 1g65 h HIS 157 Ca 0.35 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.59 1g65 h HIS 157 Cb -0.06 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.35 1g65 h HIS 157 CO -0.00 0.77 -0.32 0.77 0.86 0.00 0.00 177.93 180.01 1g65 h SER 158 N -0.75 -0.95 0.25 2.45 0.02 -0.72 -1.35 113.55 112.49 1g65 h SER 158 Ca -0.00 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1g65 h SER 158 Cb 0.77 0.38 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1g65 h SER 158 CO 0.00 -0.38 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.10 1g65 h LEU 159 N -0.47 0.00 -0.58 5.07 3.38 -1.07 -1.76 115.31 119.89 1g65 h LEU 159 Ca 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1g65 h LEU 159 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1g65 h LEU 159 CO -0.27 0.14 -0.02 0.77 0.09 0.00 0.00 178.44 179.15 1g65 h SER 160 N 0.00 1.02 0.34 -0.43 4.64 -0.65 0.55 113.55 119.02 1g65 h SER 160 Ca -0.00 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1g65 h SER 160 Cb 0.30 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1g65 h SER 160 CO 0.02 1.09 -0.16 1.56 -0.87 0.00 0.00 176.83 178.46 1g65 h GLN 161 N 0.92 -0.44 -0.79 4.77 1.08 -0.56 -0.89 115.11 119.20 1g65 h GLN 161 Ca 0.16 0.03 0.17 0.00 -1.45 0.00 0.00 58.65 57.56 1g65 h GLN 161 Cb 0.58 0.10 -0.11 0.00 -0.05 0.00 0.00 27.48 28.00 1g65 h GLN 161 CO 0.03 -0.19 0.27 0.00 -0.95 0.00 0.00 178.83 177.99 1g65 h ALA 162 N -0.03 1.11 -0.02 3.87 0.00 -1.23 0.60 119.26 123.57 1g65 h ALA 162 Ca -0.05 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1g65 h ALA 162 Cb 0.45 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1g65 h ALA 162 CO 0.08 -0.30 -0.30 0.82 0.00 0.00 0.00 179.25 179.54 1g65 h ILE 163 N 0.35 1.22 0.38 0.00 2.04 -0.62 -1.08 117.51 119.80 1g65 h ILE 163 Ca 0.46 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1g65 h ILE 163 Cb 0.78 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1g65 h ILE 163 CO -0.49 0.31 -0.18 0.50 0.00 0.00 0.00 178.15 178.29 1g65 h LYS 164 N 0.03 -0.49 0.05 2.37 3.64 0.16 -3.36 116.57 118.98 1g65 h LYS 164 Ca 0.00 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1g65 h LYS 164 Cb 0.55 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1g65 h LYS 164 CO 0.04 -0.21 -0.35 -1.49 -2.27 0.00 0.00 179.45 175.17 1g65 h TRP 165 N -0.72 0.25 -3.30 1.91 4.06 -1.27 -3.45 115.95 113.44 1g65 h TRP 165 Ca -0.05 -0.17 -0.54 0.00 2.06 0.00 0.00 58.89 60.19 1g65 h TRP 165 Cb 0.50 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.64 1g65 h TRP 165 CO -0.00 1.10 0.47 0.34 -3.56 0.00 0.00 178.44 176.79 1g65 s ASP 166 N -6.51 7.21 0.00 -3.49 2.15 -0.41 -4.90 116.67 110.72 1g65 s ASP 166 Ca -0.16 1.86 0.27 0.00 0.43 0.00 0.00 52.55 54.95 1g65 s ASP 166 Cb -0.01 -2.58 0.91 0.00 -0.30 0.00 0.00 42.92 40.95 1g65 s ASP 166 CO 0.75 -0.37 1.69 0.61 -0.17 0.00 0.00 175.17 177.69 1g65 n GLY 167 N 3.06 -1.33 0.85 2.66 0.00 -1.26 -3.04 105.19 106.13 1g65 n GLY 167 Ca 0.08 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1g65 n GLY 167 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1g65 n SER 168 N -1.44 2.47 -4.30 1.61 7.64 -1.26 -4.87 113.62 113.47 1g65 n SER 168 Ca 0.07 -1.99 -0.16 0.00 1.01 0.00 0.00 58.87 57.80 1g65 n SER 168 Cb 0.33 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 1g65 n SER 168 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1g65 s SER 169 N -1.03 2.17 0.00 6.43 0.01 -1.17 -0.29 113.70 119.83 1g65 s SER 169 Ca 0.31 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1g65 s SER 169 Cb 0.16 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1g65 s SER 169 CO 0.21 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1g65 n GLY 170 N -0.30 -0.86 4.50 3.44 0.00 -1.26 -4.89 105.19 105.82 1g65 n GLY 170 Ca -0.09 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1g65 n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g65 n GLY 171 N 0.00 0.56 3.71 -0.02 0.00 -1.26 -1.99 105.19 106.19 1g65 n GLY 171 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 1g65 n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g65 s VAL 172 N 0.00 2.90 -0.27 1.61 -7.23 -1.26 -4.35 120.40 111.80 1g65 s VAL 172 Ca 0.00 -1.77 -0.08 0.00 -1.81 0.00 0.00 61.98 58.32 1g65 s VAL 172 Cb 0.00 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 1g65 s VAL 172 CO 0.00 -0.18 0.11 -0.63 -0.31 0.00 0.00 175.10 174.09 1g65 s ILE 173 N -2.46 4.50 -0.05 -0.62 1.01 -0.52 -2.99 121.20 120.08 1g65 s ILE 173 Ca 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 1g65 s ILE 173 Cb -0.02 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1g65 s ILE 173 CO 0.22 0.24 0.10 -0.13 0.00 0.00 0.00 174.94 175.36 1g65 s ARG 174 N 1.63 3.20 0.17 2.79 0.52 -0.28 -1.24 118.95 125.74 1g65 s ARG 174 Ca 0.06 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.93 1g65 s ARG 174 Cb -0.16 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 1g65 s ARG 174 CO 0.05 0.69 -0.00 -1.64 0.02 0.00 0.00 175.30 174.42 1g65 s MET 175 N -1.44 1.11 -0.11 3.54 -1.94 -0.39 -0.78 119.30 119.30 1g65 s MET 175 Ca 0.20 -1.53 -0.04 0.00 -1.71 0.00 0.00 55.69 52.61 1g65 s MET 175 Cb -0.12 -0.30 0.05 0.00 2.01 0.00 0.00 34.83 36.47 1g65 s MET 175 CO 0.10 -0.12 0.16 0.08 -0.01 0.00 0.00 175.02 175.23 1g65 s VAL 176 N -3.63 -0.24 -0.20 -6.03 1.01 0.49 -1.93 120.40 109.86 1g65 s VAL 176 Ca 0.24 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 1g65 s VAL 176 Cb 0.06 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1g65 s VAL 176 CO 0.04 0.06 0.22 -0.69 0.00 0.00 0.00 175.10 174.73 1g65 s VAL 177 N 2.28 5.34 -0.25 2.92 1.01 -0.41 -0.88 120.40 130.40 1g65 s VAL 177 Ca 0.04 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1g65 s VAL 177 Cb -0.13 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.76 1g65 s VAL 177 CO -0.07 0.37 -0.08 -0.76 0.00 0.00 0.00 175.10 174.56 1g65 s LEU 178 N 0.76 3.07 0.34 3.92 1.02 -0.54 -1.84 118.68 125.41 1g65 s LEU 178 Ca 0.11 -1.32 0.05 0.00 0.02 0.00 0.00 54.13 52.99 1g65 s LEU 178 Cb -0.13 -1.38 -0.02 0.00 0.02 0.00 0.00 46.19 44.68 1g65 s LEU 178 CO 0.03 -0.22 0.33 0.42 0.02 0.00 0.00 176.35 176.93 1g65 s THR 179 N 1.23 0.00 0.43 5.49 -4.23 -0.74 -2.27 115.64 115.55 1g65 s THR 179 Ca -0.07 -1.90 0.10 0.00 -1.18 0.00 0.00 61.69 58.65 1g65 s THR 179 Cb -0.19 -2.54 0.29 0.00 1.34 0.00 0.00 72.50 71.39 1g65 s THR 179 CO -0.06 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.06 1g65 h ALA 180 N 2.12 1.85 0.00 3.99 0.00 -1.98 0.30 119.26 125.55 1g65 h ALA 180 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1g65 h ALA 180 Cb 1.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1g65 h ALA 180 CO 0.37 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1g65 n ALA 181 N -2.50 1.09 0.00 0.00 0.00 -1.26 -4.94 120.51 112.91 1g65 n ALA 181 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1g65 n ALA 181 Cb 0.19 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1g65 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g65 n GLY 183 N -1.27 0.07 2.70 0.00 0.00 0.11 -4.99 105.19 101.80 1g65 n GLY 183 Ca 0.00 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 1g65 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g65 s VAL 184 N -0.20 0.21 -0.02 1.61 1.01 -1.26 -1.80 120.40 119.95 1g65 s VAL 184 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1g65 s VAL 184 Cb 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1g65 s VAL 184 CO 0.00 -0.03 -0.13 -0.70 0.00 0.00 0.00 175.10 174.24 1g65 s GLU 185 N 2.02 2.43 -0.30 2.72 2.12 -0.77 -4.97 118.70 121.96 1g65 s GLU 185 Ca 0.03 -0.76 -0.09 0.00 0.36 0.00 0.00 54.97 54.51 1g65 s GLU 185 Cb -0.15 -2.38 -0.00 0.00 0.26 0.00 0.00 34.13 31.86 1g65 s GLU 185 CO -0.07 0.60 0.12 1.03 -0.54 0.00 0.00 175.26 176.41 1g65 s ARG 186 N -1.09 3.28 0.13 4.30 1.81 -1.26 -1.29 118.95 124.83 1g65 s ARG 186 Ca 0.14 -0.75 0.07 0.00 -1.72 0.00 0.00 55.73 53.47 1g65 s ARG 186 Cb -0.11 -3.48 -0.04 0.00 -0.45 0.00 0.00 34.95 30.87 1g65 s ARG 186 CO 0.04 -0.41 -0.05 -0.51 -0.68 0.00 0.00 175.30 173.68 1g65 s LEU 187 N 1.58 3.19 -0.03 2.53 1.43 -0.81 -5.00 118.68 121.57 1g65 s LEU 187 Ca 0.04 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 1g65 s LEU 187 Cb -0.17 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1g65 s LEU 187 CO 0.05 0.14 0.26 -0.51 0.23 0.00 0.00 176.35 176.52 1g65 s ILE 187 N -1.44 0.05 -0.03 -0.59 2.07 -1.26 -1.27 121.20 118.74 1g65 s ILE 187 Ca 0.24 -0.45 -0.01 0.00 -1.41 0.00 0.00 60.65 59.03 1g65 s ILE 187 Cb -0.10 -0.53 0.03 0.00 0.13 0.00 0.00 42.46 41.99 1g65 s ILE 187 CO 0.16 -0.25 0.03 -0.36 -1.91 0.00 0.00 174.94 172.62 1g65 s PHE 187 N -1.09 0.13 0.62 3.50 0.08 -0.37 -4.97 117.98 115.88 1g65 s PHE 187 Ca -0.12 0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.96 1g65 s PHE 187 Cb -0.05 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.98 1g65 s PHE 187 CO 0.03 -0.14 1.03 0.71 -0.10 0.00 0.00 175.22 176.74 1g65 s TYR 187 N 1.46 3.61 0.13 0.36 2.02 -1.26 -1.43 117.35 122.23 1g65 s TYR 187 Ca -0.04 1.26 -0.19 0.00 -0.37 0.00 0.00 57.07 57.72 1g65 s TYR 187 Cb -0.13 -2.73 -0.01 0.00 -0.40 0.00 0.00 41.96 38.69 1g65 s TYR 187 CO -0.03 -0.71 1.71 -1.35 -1.57 0.00 0.00 175.55 173.60 1g65 h PRO 187 N -0.33 0.05 0.00 -1.71 0.11 -1.98 -1.85 132.00 126.29 1g65 h PRO 187 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1g65 h PRO 187 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1g65 h PRO 187 CO 0.62 0.03 0.15 -0.25 -0.21 0.00 0.00 178.00 178.34 1g65 n ASP 187 N -5.16 0.00 -0.08 -2.05 9.92 -1.26 -0.39 116.55 117.53 1g65 n ASP 187 Ca -0.02 0.30 -0.17 0.00 -0.53 0.00 0.00 54.79 54.38 1g65 n ASP 187 Cb 0.12 -0.30 -0.06 0.00 -0.64 0.00 0.00 41.12 40.25 1g65 n ASP 187 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1g65 n GLU 187 N -1.29 0.34 -0.00 -1.24 2.13 -0.75 -4.69 120.64 115.14 1g65 n GLU 187 Ca 0.00 0.15 -0.10 0.00 0.66 0.00 0.00 57.16 57.87 1g65 n GLU 187 Cb 0.15 -1.07 0.04 0.00 0.27 0.00 0.00 31.44 30.83 1g65 n GLU 187 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 1g65 h TYR 187 N -0.58 0.73 -0.22 4.31 -0.00 -0.87 -3.32 116.97 117.02 1g65 h TYR 187 Ca -0.38 -0.26 0.05 0.00 0.00 0.00 0.00 58.73 58.14 1g65 h TYR 187 Cb 1.30 -0.14 -0.07 0.00 0.00 0.00 0.00 36.73 37.82 1g65 h TYR 187 CO -0.07 1.01 -0.38 0.93 -0.00 0.00 0.00 178.16 179.65 1g65 h GLU 187 N 0.44 -0.39 -3.22 0.10 5.08 -0.96 -2.84 114.58 112.79 1g65 h GLU 187 Ca 0.01 0.03 -0.79 0.00 -1.00 0.00 0.00 59.36 57.60 1g65 h GLU 187 Cb 1.11 0.09 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 1g65 h GLU 187 CO 0.11 -0.26 1.21 1.04 -1.00 0.00 0.00 179.01 180.11 1g65 n GLN 187 N -5.42 4.10 0.00 2.33 3.00 -1.25 -5.07 117.38 115.06 1g65 n GLN 187 Ca -0.02 -4.17 0.07 0.00 -0.01 0.00 0.00 57.00 52.86 1g65 n GLN 187 Cb 0.35 -2.67 0.06 0.00 0.00 0.00 0.00 30.24 27.97 1g65 n GLN 187 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34