#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp0 s LEU 10 N 0.00 3.78 -0.48 -1.84 1.43 -1.26 -3.73 118.68 116.58 2qp0 s LEU 10 Ca 0.00 0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 53.88 2qp0 s LEU 10 Cb 0.00 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.80 2qp0 s LEU 10 CO 0.00 -1.10 0.30 -1.10 0.23 0.00 0.00 176.35 174.68 2qp0 s GLN 11 N 4.14 2.26 -0.49 1.70 -0.21 0.53 -4.99 119.66 122.59 2qp0 s GLN 11 Ca 0.49 -1.99 -0.20 0.00 0.02 0.00 0.00 55.36 53.68 2qp0 s GLN 11 Cb -0.11 -3.70 0.04 0.00 1.00 0.00 0.00 33.01 30.24 2qp0 s GLN 11 CO 0.24 -1.13 0.67 -1.21 -2.12 0.00 0.00 175.29 171.75 2qp0 s GLU 12 N 0.88 3.20 -0.11 2.91 2.02 -1.26 -1.86 118.70 124.48 2qp0 s GLU 12 Ca 0.10 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.49 2qp0 s GLU 12 Cb -0.23 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 29.96 2qp0 s GLU 12 CO -0.03 -1.19 -0.23 0.21 0.02 0.00 0.00 175.26 174.04 2qp0 s LYS 13 N 2.87 3.00 -0.31 1.61 2.20 -1.05 -5.06 119.74 123.00 2qp0 s LYS 13 Ca 0.20 -0.86 -0.21 0.00 -0.36 0.00 0.00 55.97 54.74 2qp0 s LYS 13 Cb -0.17 -2.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 2qp0 s LYS 13 CO 0.15 0.12 0.66 -1.17 -0.36 0.00 0.00 175.35 174.75 2qp0 s LEU 14 N 0.49 4.15 -0.00 5.43 1.98 -1.26 -2.08 118.68 127.38 2qp0 s LEU 14 Ca -0.15 0.43 -0.13 0.00 -2.89 0.00 0.00 54.13 51.39 2qp0 s LEU 14 Cb -0.17 -2.85 -0.07 0.00 0.66 0.00 0.00 46.19 43.75 2qp0 s LEU 14 CO 0.06 -0.51 0.79 0.40 -1.89 0.00 0.00 176.35 175.19 2qp0 h ILE 15 N 5.57 0.00 -1.85 6.68 2.04 -1.25 -3.49 117.51 125.21 2qp0 h ILE 15 Ca -0.26 -0.24 0.18 0.00 1.00 0.00 0.00 64.86 65.54 2qp0 h ILE 15 Cb 1.11 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 37.02 2qp0 h ILE 15 CO 0.82 0.00 0.66 0.00 0.00 0.00 0.00 178.15 179.63 2qp0 s ALA 16 N -3.93 -1.95 0.02 1.87 0.00 -1.07 -5.00 121.76 111.70 2qp0 s ALA 16 Ca -0.07 1.33 0.08 0.00 0.00 0.00 0.00 51.96 53.30 2qp0 s ALA 16 Cb 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.21 2qp0 s ALA 16 CO 0.21 -0.63 -0.24 0.54 0.00 0.00 0.00 175.76 175.64 2qp0 s VAL 17 N -2.70 1.91 0.13 0.00 0.11 -1.26 -1.79 120.40 116.80 2qp0 s VAL 17 Ca 0.07 -1.21 0.11 0.00 -2.93 0.00 0.00 61.98 58.02 2qp0 s VAL 17 Cb -0.01 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 2qp0 s VAL 17 CO -0.07 0.37 -0.26 0.20 -3.33 0.00 0.00 175.10 172.02 2qp0 s ASN 18 N -0.99 3.19 0.00 3.54 -0.87 -0.26 -4.97 114.94 114.57 2qp0 s ASN 18 Ca 0.10 -0.75 0.00 0.00 -1.57 0.00 0.00 52.86 50.64 2qp0 s ASN 18 Cb -0.09 -0.21 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 2qp0 s ASN 18 CO 0.01 0.15 0.46 -1.14 -2.57 0.00 0.00 177.10 174.01 2qp0 n ARG 19 N 0.88 0.00 -0.39 -0.60 3.00 -1.26 -0.83 116.66 117.46 2qp0 n ARG 19 Ca -0.18 0.32 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2qp0 n ARG 19 Cb 0.53 -1.10 0.00 0.00 0.00 0.00 0.00 32.46 31.89 2qp0 n ARG 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qp0 n VAL 20 N -1.47 -0.97 -3.90 5.15 0.31 -1.26 -2.19 118.33 114.00 2qp0 n VAL 20 Ca 0.00 0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 64.64 2qp0 n VAL 20 Cb 0.00 -0.64 -0.05 0.00 -0.91 0.00 0.00 33.84 32.24 2qp0 n VAL 20 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qp0 s SER 21 N -3.36 -0.14 -0.23 4.52 1.04 -1.26 -2.80 113.70 111.46 2qp0 s SER 21 Ca 0.00 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 2qp0 s SER 21 Cb 0.00 0.58 0.12 0.00 0.10 0.00 0.00 66.02 66.82 2qp0 s SER 21 CO 0.00 -1.10 0.31 -0.75 0.98 0.00 0.00 173.24 172.67 2qp0 s LYS 22 N -3.96 0.28 -0.10 4.02 2.20 -1.19 -4.94 119.74 116.06 2qp0 s LYS 22 Ca 0.16 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.83 2qp0 s LYS 22 Cb -0.01 -0.80 -0.01 0.00 -1.51 0.00 0.00 37.83 35.49 2qp0 s LYS 22 CO 0.04 -0.68 0.99 -0.08 -0.36 0.00 0.00 175.35 175.27 2qp0 s THR 23 N 2.44 4.80 0.51 3.43 -1.32 -1.26 -1.90 115.64 122.34 2qp0 s THR 23 Ca 0.10 2.02 0.02 0.00 -1.21 0.00 0.00 61.69 62.62 2qp0 s THR 23 Cb -0.15 -4.30 0.02 0.00 -1.51 0.00 0.00 72.50 66.55 2qp0 s THR 23 CO -0.15 0.02 0.17 1.33 -2.21 0.00 0.00 174.62 173.78 2qp0 n VAL 24 N 4.50 0.00 0.30 5.08 0.24 0.51 -4.91 118.33 124.05 2qp0 n VAL 24 Ca 0.08 -2.23 0.15 0.00 -2.04 0.00 0.00 64.34 60.30 2qp0 n VAL 24 Cb 0.49 0.24 0.79 0.00 -1.47 0.00 0.00 33.84 33.89 2qp0 n VAL 24 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2qp0 h LYS 25 N 0.00 0.00 0.00 7.34 -0.00 -1.99 0.19 116.57 122.11 2qp0 h LYS 25 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.27 2qp0 h LYS 25 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 2qp0 h LYS 25 CO 0.61 0.00 -1.16 0.41 -0.00 0.00 0.00 179.45 179.31 2qp0 n GLY 26 N -1.21 -1.07 0.00 0.07 0.00 -1.26 -5.08 105.19 96.64 2qp0 n GLY 26 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2qp0 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qp0 n GLY 27 N 1.42 0.89 3.81 -0.02 0.00 0.66 -5.10 105.19 106.84 2qp0 n GLY 27 Ca 0.02 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 2qp0 n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qp0 s ARG 28 N -1.62 0.06 -0.17 1.61 1.70 -1.26 0.19 118.95 119.45 2qp0 s ARG 28 Ca 0.00 -0.24 -0.04 0.00 -0.47 0.00 0.00 55.73 54.98 2qp0 s ARG 28 Cb 0.00 -1.76 0.08 0.00 -0.57 0.00 0.00 34.95 32.70 2qp0 s ARG 28 CO 0.00 -2.83 0.21 0.42 -1.08 0.00 0.00 175.30 172.02 2qp0 s ILE 29 N -3.55 -0.31 0.34 4.99 1.01 -0.80 -4.71 121.20 118.17 2qp0 s ILE 29 Ca 0.72 0.00 -0.28 0.00 0.00 0.00 0.00 60.65 61.10 2qp0 s ILE 29 Cb -0.07 -0.59 -0.13 0.00 0.01 0.00 0.00 42.46 41.69 2qp0 s ILE 29 CO 0.54 -0.12 1.18 2.22 0.00 0.00 0.00 174.94 178.76 2qp0 n PHE 30 N 5.32 1.88 -4.06 3.97 1.16 -1.26 -3.13 117.46 121.33 2qp0 n PHE 30 Ca -0.05 0.60 -0.12 0.00 -1.87 0.00 0.00 57.45 56.00 2qp0 n PHE 30 Cb 0.50 -2.35 -0.05 0.00 -1.61 0.00 0.00 39.48 35.97 2qp0 n PHE 30 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2qp0 s SER 31 N -0.43 0.41 -0.22 5.98 0.01 -1.12 -4.78 113.70 113.55 2qp0 s SER 31 Ca 0.57 -1.25 -0.13 0.00 1.31 0.00 0.00 55.95 56.44 2qp0 s SER 31 Cb -0.60 0.60 0.07 0.00 0.21 0.00 0.00 66.02 66.29 2qp0 s SER 31 CO 0.61 -1.19 0.54 -0.36 0.41 0.00 0.00 173.24 173.26 2qp0 s PHE 32 N -3.55 -0.79 -0.04 2.43 0.08 0.14 -4.30 117.98 111.95 2qp0 s PHE 32 Ca 0.28 1.66 0.06 0.00 0.12 0.00 0.00 56.93 59.05 2qp0 s PHE 32 Cb 0.00 0.41 -0.02 0.00 -0.57 0.00 0.00 43.02 42.84 2qp0 s PHE 32 CO 0.15 -0.41 -0.23 0.95 -0.10 0.00 0.00 175.22 175.58 2qp0 s THR 33 N 1.34 2.31 -0.08 0.64 -4.23 -0.01 -0.72 115.64 114.89 2qp0 s THR 33 Ca -0.08 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2qp0 s THR 33 Cb -0.06 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 71.95 2qp0 s THR 33 CO -0.14 0.58 -0.15 0.00 -0.54 0.00 0.00 174.62 174.37 2qp0 s ALA 34 N -0.51 1.48 -0.22 3.99 0.00 0.30 -1.11 121.76 125.69 2qp0 s ALA 34 Ca 0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 2qp0 s ALA 34 Cb -0.11 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.38 2qp0 s ALA 34 CO 0.01 0.13 -0.08 -1.17 0.00 0.00 0.00 175.76 174.64 2qp0 s LEU 35 N 0.64 2.83 -0.05 0.00 2.96 -0.74 -1.50 118.68 122.82 2qp0 s LEU 35 Ca -0.15 -0.60 -0.06 0.00 -0.22 0.00 0.00 54.13 53.10 2qp0 s LEU 35 Cb -0.16 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2qp0 s LEU 35 CO 0.04 -0.05 0.16 0.28 -1.32 0.00 0.00 176.35 175.46 2qp0 s THR 36 N 1.39 0.02 -0.03 3.68 -1.32 -1.12 -0.65 115.64 117.60 2qp0 s THR 36 Ca 0.04 -0.14 0.01 0.00 -1.21 0.00 0.00 61.69 60.39 2qp0 s THR 36 Cb -0.15 -0.28 -0.03 0.00 -1.51 0.00 0.00 72.50 70.53 2qp0 s THR 36 CO -0.06 -0.08 -0.05 0.68 -2.21 0.00 0.00 174.62 172.91 2qp0 s VAL 37 N -0.22 3.85 -0.14 5.08 -7.23 -0.88 -1.49 120.40 119.37 2qp0 s VAL 37 Ca -0.03 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 2qp0 s VAL 37 Cb -0.03 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.28 2qp0 s VAL 37 CO 0.01 0.48 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.38 2qp0 s VAL 38 N -0.94 2.20 0.31 1.32 1.01 -0.73 -2.53 120.40 121.05 2qp0 s VAL 38 Ca 0.16 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.30 2qp0 s VAL 38 Cb -0.11 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2qp0 s VAL 38 CO 0.05 0.54 -0.11 -0.83 0.00 0.00 0.00 175.10 174.75 2qp0 s GLY 39 N 0.73 2.00 0.00 4.51 0.00 -0.78 0.17 107.32 113.96 2qp0 s GLY 39 Ca -0.09 -1.94 0.18 0.00 0.00 0.00 0.00 44.72 42.87 2qp0 s GLY 39 CO 0.00 -1.96 0.84 2.09 0.00 0.00 0.00 173.10 174.07 2qp0 n ASP 40 N -0.75 1.34 0.00 1.64 5.75 -0.62 -0.35 116.55 123.56 2qp0 n ASP 40 Ca -0.05 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 2qp0 n ASP 40 Cb 0.61 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 41.40 2qp0 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qp0 n GLY 41 N 1.31 1.48 0.92 6.12 0.00 -0.81 -4.26 105.19 109.95 2qp0 n GLY 41 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 2qp0 n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qp0 n ASN 42 N 0.00 1.16 -0.56 1.61 2.85 -1.25 -4.20 115.26 114.87 2qp0 n ASN 42 Ca 0.00 0.16 -0.02 0.00 -0.11 0.00 0.00 54.58 54.60 2qp0 n ASN 42 Cb 0.00 -0.37 -0.02 0.00 1.24 0.00 0.00 39.78 40.63 2qp0 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qp0 n GLY 43 N 3.21 0.32 2.91 8.20 0.00 -1.21 -4.55 105.19 114.06 2qp0 n GLY 43 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2qp0 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qp0 s ARG 44 N 0.00 1.48 -0.07 1.61 3.00 -1.25 0.15 118.95 123.87 2qp0 s ARG 44 Ca 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 55.73 53.72 2qp0 s ARG 44 Cb 0.00 -2.91 -0.03 0.00 0.00 0.00 0.00 34.95 32.00 2qp0 s ARG 44 CO 0.00 -1.03 0.00 0.14 0.00 0.00 0.00 175.30 174.41 2qp0 s VAL 45 N 0.57 4.27 -0.29 3.52 -7.23 -1.18 -1.59 120.40 118.47 2qp0 s VAL 45 Ca 0.14 -0.33 0.03 0.00 -1.81 0.00 0.00 61.98 60.01 2qp0 s VAL 45 Cb -0.22 -2.82 0.19 0.00 0.56 0.00 0.00 36.38 34.09 2qp0 s VAL 45 CO -0.07 0.55 0.54 -0.83 -0.31 0.00 0.00 175.10 174.98 2qp0 s GLY 46 N -1.04 -1.01 0.00 2.32 0.00 0.13 -2.19 107.32 105.53 2qp0 s GLY 46 Ca 0.15 0.98 0.00 0.00 0.00 0.00 0.00 44.72 45.85 2qp0 s GLY 46 CO 0.04 3.43 0.00 1.97 0.00 0.00 0.00 173.10 178.54 2qp0 n PHE 47 N 5.40 -3.12 0.00 1.90 -1.74 -1.26 -1.78 117.46 116.87 2qp0 n PHE 47 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.91 2qp0 n PHE 47 Cb 0.52 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.52 2qp0 n PHE 47 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2qp0 n GLY 48 N 3.02 1.33 3.38 4.97 0.00 -0.55 -3.73 105.19 113.61 2qp0 n GLY 48 Ca 0.00 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2qp0 n GLY 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qp0 s TYR 49 N -0.82 3.02 0.02 1.61 5.04 -1.26 -2.81 117.35 122.14 2qp0 s TYR 49 Ca 0.00 -0.66 0.04 0.00 -2.44 0.00 0.00 57.07 54.01 2qp0 s TYR 49 Cb 0.00 -2.14 -0.02 0.00 0.35 0.00 0.00 41.96 40.15 2qp0 s TYR 49 CO 0.00 -0.42 -0.14 0.20 -1.34 0.00 0.00 175.55 173.85 2qp0 s GLY 50 N 1.42 0.72 0.05 8.97 0.00 -0.56 -4.86 107.32 113.07 2qp0 s GLY 50 Ca 0.05 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2qp0 s GLY 50 CO 0.00 -0.65 -0.05 -1.59 0.00 0.00 0.00 173.10 170.81 2qp0 s LYS 51 N -0.76 0.57 0.15 2.90 -2.85 -1.26 0.11 119.74 118.60 2qp0 s LYS 51 Ca 0.03 -0.96 -0.10 0.00 -1.00 0.00 0.00 55.97 53.94 2qp0 s LYS 51 Cb -0.07 -0.07 0.04 0.00 -2.06 0.00 0.00 37.83 35.67 2qp0 s LYS 51 CO 0.00 -0.02 0.52 0.00 0.10 0.00 0.00 175.35 175.95 2qp0 n ALA 52 N 0.86 -1.28 1.48 0.59 0.00 0.10 -4.67 120.51 117.59 2qp0 n ALA 52 Ca -0.19 -0.63 0.11 0.00 0.00 0.00 0.00 53.44 52.73 2qp0 n ALA 52 Cb 0.57 0.43 0.47 0.00 0.00 0.00 0.00 19.45 20.93 2qp0 n ALA 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qp0 n ARG 53 N -0.36 1.52 -3.85 0.00 0.63 -1.26 -0.69 116.66 112.66 2qp0 n ARG 53 Ca -0.03 -0.78 -0.12 0.00 -0.92 0.00 0.00 57.85 56.00 2qp0 n ARG 53 Cb 0.33 -1.39 -0.14 0.00 0.45 0.00 0.00 32.46 31.71 2qp0 n ARG 53 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2qp0 s GLU 54 N -1.88 0.06 0.29 -0.14 2.02 -1.26 -4.77 118.70 113.01 2qp0 s GLU 54 Ca 0.33 0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.45 2qp0 s GLU 54 Cb 0.17 0.01 0.66 0.00 0.10 0.00 0.00 34.13 35.08 2qp0 s GLU 54 CO 0.27 -0.02 1.79 0.28 0.02 0.00 0.00 175.26 177.60 2qp0 h VAL 55 N 5.15 0.76 0.07 2.63 2.07 -1.91 -2.70 116.25 122.32 2qp0 h VAL 55 Ca -0.26 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2qp0 h VAL 55 Cb 1.20 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2qp0 h VAL 55 CO 0.48 0.14 -0.04 1.55 0.02 0.00 0.00 177.57 179.72 2qp0 h PRO 56 N 0.79 -0.10 -1.01 1.57 0.13 -1.98 -3.14 132.00 128.26 2qp0 h PRO 56 Ca 0.54 0.01 0.27 0.00 -0.87 0.00 0.00 66.00 65.95 2qp0 h PRO 56 Cb 0.76 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.78 2qp0 h PRO 56 CO -0.35 0.41 0.60 0.00 -0.23 0.00 0.00 178.00 178.42 2qp0 h ALA 57 N 0.17 1.88 0.63 -0.56 0.00 -1.91 -1.76 119.26 117.71 2qp0 h ALA 57 Ca -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2qp0 h ALA 57 Cb 0.55 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2qp0 h ALA 57 CO 0.02 -0.40 -0.30 0.00 0.00 0.00 0.00 179.25 178.57 2qp0 h ALA 58 N 1.76 -0.93 -0.89 0.00 0.00 -1.55 -0.65 119.26 116.99 2qp0 h ALA 58 Ca 0.67 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.63 2qp0 h ALA 58 Cb 1.40 0.33 -0.16 0.00 0.00 0.00 0.00 17.79 19.36 2qp0 h ALA 58 CO -0.51 -0.87 0.07 0.82 0.00 0.00 0.00 179.25 178.76 2qp0 h ILE 59 N -1.10 0.18 0.22 0.00 2.04 -1.34 1.08 117.51 118.60 2qp0 h ILE 59 Ca -0.09 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2qp0 h ILE 59 Cb 0.64 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2qp0 h ILE 59 CO 0.14 0.02 -0.11 -0.61 0.00 0.00 0.00 178.15 177.59 2qp0 h GLN 60 N 0.08 -0.29 0.00 2.37 5.75 -1.36 -1.60 115.11 120.07 2qp0 h GLN 60 Ca 0.53 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 59.04 2qp0 h GLN 60 Cb 1.05 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.67 2qp0 h GLN 60 CO -0.78 0.08 -0.08 1.57 -2.65 0.00 0.00 178.83 176.97 2qp0 h LYS 61 N -0.75 0.00 0.01 1.69 2.10 -0.04 -1.58 116.57 118.01 2qp0 h LYS 61 Ca -0.03 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.42 2qp0 h LYS 61 Cb 0.50 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.81 2qp0 h LYS 61 CO 0.05 0.08 -0.95 0.00 -2.00 0.00 0.00 179.45 176.62 2qp0 h ALA 62 N 1.92 0.44 -0.52 0.07 0.00 0.13 -3.24 119.26 118.05 2qp0 h ALA 62 Ca -0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 2qp0 h ALA 62 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qp0 h ALA 62 CO 0.01 1.10 -0.09 0.52 0.00 0.00 0.00 179.25 180.79 2qp0 h MET 63 N 0.02 0.96 -0.58 0.00 2.86 -0.26 -1.21 114.93 116.73 2qp0 h MET 63 Ca -0.03 -0.33 0.11 0.00 -2.06 0.00 0.00 59.70 57.38 2qp0 h MET 63 Cb 1.65 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 33.16 2qp0 h MET 63 CO 0.13 1.00 0.12 1.49 1.06 0.00 0.00 176.91 180.71 2qp0 h GLU 64 N 0.86 0.25 -0.12 1.72 4.57 -1.54 0.82 114.58 121.14 2qp0 h GLU 64 Ca 0.14 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2qp0 h GLU 64 Cb 0.63 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2qp0 h GLU 64 CO 0.04 0.17 0.06 0.87 -1.18 0.00 0.00 179.01 178.97 2qp0 h LYS 65 N 0.26 0.17 -0.13 1.92 1.79 -1.52 -3.09 116.57 115.96 2qp0 h LYS 65 Ca 0.30 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2qp0 h LYS 65 Cb 0.43 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2qp0 h LYS 65 CO -0.38 0.21 0.07 0.00 -1.08 0.00 0.00 179.45 178.27 2qp0 h ALA 66 N 0.96 0.17 -1.15 3.86 0.00 0.09 -2.18 119.26 121.00 2qp0 h ALA 66 Ca 0.04 -0.05 0.33 0.00 0.00 0.00 0.00 54.91 55.23 2qp0 h ALA 66 Cb 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2qp0 h ALA 66 CO -0.01 -0.30 0.81 0.00 0.00 0.00 0.00 179.25 179.76 2qp0 h ARG 67 N 0.12 0.05 -6.29 0.00 3.08 0.62 -3.41 114.38 108.55 2qp0 h ARG 67 Ca 0.05 -0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.58 2qp0 h ARG 67 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2qp0 h ARG 67 CO -0.01 0.03 -0.23 1.03 -1.07 0.00 0.00 179.97 179.72 2qp0 s ARG 68 N -5.02 2.37 -1.25 0.04 1.81 -0.82 -4.72 118.95 111.36 2qp0 s ARG 68 Ca -0.05 -1.73 -0.03 0.00 -1.72 0.00 0.00 55.73 52.19 2qp0 s ARG 68 Cb 0.23 -2.41 -0.01 0.00 -0.45 0.00 0.00 34.95 32.31 2qp0 s ARG 68 CO 0.80 -0.62 0.76 0.09 -0.68 0.00 0.00 175.30 175.65 2qp0 n ASN 69 N -1.92 -2.26 -0.71 0.23 4.13 -1.26 -4.79 115.26 108.67 2qp0 n ASN 69 Ca 0.07 -0.82 0.00 0.00 1.68 0.00 0.00 54.58 55.51 2qp0 n ASN 69 Cb 0.62 -4.19 0.00 0.00 -1.54 0.00 0.00 39.78 34.68 2qp0 n ASN 69 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2qp0 n MET 70 N -4.14 3.51 0.00 3.52 2.81 -1.26 -4.53 117.12 117.02 2qp0 n MET 70 Ca -0.25 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 2qp0 n MET 70 Cb 0.66 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.17 2qp0 n MET 70 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 2qp0 n ILE 71 N 0.00 0.00 -2.04 2.02 0.13 -0.93 -4.82 119.36 113.72 2qp0 n ILE 71 Ca 0.00 0.00 -0.37 0.00 -1.10 0.00 0.00 62.75 61.28 2qp0 n ILE 71 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.76 2qp0 n ILE 71 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2qp0 n ASN 72 N 0.00 3.64 -4.71 9.51 4.05 -1.24 -3.11 115.26 123.40 2qp0 n ASN 72 Ca 0.00 -2.78 -0.42 0.00 0.45 0.00 0.00 54.58 51.83 2qp0 n ASN 72 Cb 0.00 -1.63 -0.03 0.00 1.23 0.00 0.00 39.78 39.35 2qp0 n ASN 72 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2qp0 s VAL 73 N 7.15 3.56 0.73 3.44 1.01 0.12 -4.98 120.40 131.44 2qp0 s VAL 73 Ca 0.60 1.10 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 2qp0 s VAL 73 Cb 0.05 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2qp0 s VAL 73 CO 0.09 0.07 0.73 0.00 0.00 0.00 0.00 175.10 175.99 2qp0 n ALA 74 N 4.20 -0.97 -3.32 5.51 0.00 -1.26 -4.72 120.51 119.95 2qp0 n ALA 74 Ca 0.11 -0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.34 2qp0 n ALA 74 Cb 0.44 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 2qp0 n ALA 74 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2qp0 s LEU 75 N -1.64 -0.75 0.09 0.00 0.20 -1.26 -4.84 118.68 110.48 2qp0 s LEU 75 Ca 0.69 0.77 -0.21 0.00 0.69 0.00 0.00 54.13 56.07 2qp0 s LEU 75 Cb -0.34 1.75 -0.07 0.00 -0.43 0.00 0.00 46.19 47.10 2qp0 s LEU 75 CO 0.55 -0.14 0.62 0.21 -0.29 0.00 0.00 176.35 177.29 2qp0 s ASN 76 N 2.70 7.14 0.31 3.68 2.47 -1.15 -4.84 114.94 125.24 2qp0 s ASN 76 Ca 0.01 1.35 0.00 0.00 0.42 0.00 0.00 52.86 54.65 2qp0 s ASN 76 Cb -0.09 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 2qp0 s ASN 76 CO -0.17 0.26 0.00 -3.20 -3.72 0.00 0.00 177.10 170.27 2qp0 n ASN 77 N 1.71 0.00 0.00 -4.21 2.85 -1.26 -1.30 115.26 113.05 2qp0 n ASN 77 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2qp0 n ASN 77 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 2qp0 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qp0 n GLY 78 N 0.00 0.68 0.00 8.20 0.00 -1.26 -5.06 105.19 107.75 2qp0 n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qp0 n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qp0 n THR 79 N -0.10 0.00 -2.63 2.61 5.66 -0.42 -1.18 114.28 118.22 2qp0 n THR 79 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 2qp0 n THR 79 Cb 0.11 -0.21 -0.05 0.00 -1.55 0.00 0.00 70.33 68.62 2qp0 n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2qp0 s LEU 80 N 0.00 3.81 0.35 1.09 1.43 -1.26 -2.91 118.68 121.19 2qp0 s LEU 80 Ca 0.00 1.67 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 2qp0 s LEU 80 Cb 0.00 -4.53 0.72 0.00 0.03 0.00 0.00 46.19 42.41 2qp0 s LEU 80 CO 0.00 -0.49 1.94 1.56 0.23 0.00 0.00 176.35 179.59 2qp0 h GLN 81 N 1.50 0.77 -1.74 1.70 7.50 -1.88 -3.44 115.11 119.51 2qp0 h GLN 81 Ca -0.48 -0.05 0.29 0.00 0.50 0.00 0.00 58.65 58.91 2qp0 h GLN 81 Cb 1.19 -0.17 -0.10 0.00 0.05 0.00 0.00 27.48 28.44 2qp0 h GLN 81 CO 0.61 0.51 0.76 -3.38 -1.50 0.00 0.00 178.83 175.83 2qp0 s HIS 82 N -5.71 -0.04 0.02 2.96 -3.43 -1.26 -4.99 115.29 102.83 2qp0 s HIS 82 Ca -0.10 -0.12 -0.30 0.00 -0.80 0.00 0.00 55.06 53.74 2qp0 s HIS 82 Cb 0.20 0.57 -0.07 0.00 -1.43 0.00 0.00 32.58 31.85 2qp0 s HIS 82 CO 0.78 -0.41 1.70 -1.25 -2.00 0.00 0.00 174.74 173.55 2qp0 s PRO 83 N -2.52 4.18 0.29 -0.38 0.04 -1.26 -4.65 135.00 130.70 2qp0 s PRO 83 Ca 0.16 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.53 2qp0 s PRO 83 Cb 0.03 -3.84 0.01 0.00 0.04 0.00 0.00 34.50 30.74 2qp0 s PRO 83 CO -0.02 -0.81 0.10 1.33 0.04 0.00 0.00 177.00 177.64 2qp0 n VAL 84 N 5.15 0.00 -3.27 -0.36 0.24 -0.60 -4.99 118.33 114.50 2qp0 n VAL 84 Ca 0.17 -1.29 -0.06 0.00 -2.04 0.00 0.00 64.34 61.12 2qp0 n VAL 84 Cb 0.41 0.05 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 2qp0 n VAL 84 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2qp0 s LYS 85 N -3.12 0.61 0.23 7.34 2.20 -1.26 -2.62 119.74 123.12 2qp0 s LYS 85 Ca 0.07 -0.17 -0.05 0.00 -0.36 0.00 0.00 55.97 55.46 2qp0 s LYS 85 Cb -0.01 -0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 36.05 2qp0 s LYS 85 CO 0.05 -1.12 0.49 0.20 -0.36 0.00 0.00 175.35 174.60 2qp0 s GLY 86 N 2.11 2.04 -0.03 5.54 0.00 -1.14 -4.84 107.32 111.00 2qp0 s GLY 86 Ca 0.13 -0.53 -0.21 0.00 0.00 0.00 0.00 44.72 44.11 2qp0 s GLY 86 CO -0.16 -0.43 0.46 0.54 0.00 0.00 0.00 173.10 173.50 2qp0 s VAL 87 N -1.89 0.03 -0.28 1.40 0.11 -1.26 -0.55 120.40 117.97 2qp0 s VAL 87 Ca 0.43 -0.28 -0.20 0.00 -2.93 0.00 0.00 61.98 59.00 2qp0 s VAL 87 Cb -0.11 -0.77 0.08 0.00 -1.53 0.00 0.00 36.38 34.05 2qp0 s VAL 87 CO 0.27 -0.16 0.72 -2.28 -3.33 0.00 0.00 175.10 170.32 2qp0 s HIS 88 N -1.27 -0.92 0.00 1.54 2.46 -0.97 -4.81 115.29 111.31 2qp0 s HIS 88 Ca -0.13 1.98 0.00 0.00 0.47 0.00 0.00 55.06 57.39 2qp0 s HIS 88 Cb -0.03 0.47 0.00 0.00 -0.13 0.00 0.00 32.58 32.89 2qp0 s HIS 88 CO 0.07 -0.45 0.00 2.41 -2.47 0.00 0.00 174.74 174.29 2qp0 n THR 89 N 3.59 0.00 -1.85 0.89 -1.04 -1.26 -0.58 114.28 114.03 2qp0 n THR 89 Ca -0.17 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.87 2qp0 n THR 89 Cb 0.57 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.12 2qp0 n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qp0 n GLY 90 N 0.00 1.71 3.34 3.41 0.00 -1.26 -5.02 105.19 107.37 2qp0 n GLY 90 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 2qp0 n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qp0 s SER 91 N -1.64 5.97 -0.48 1.61 0.01 0.26 0.30 113.70 119.73 2qp0 s SER 91 Ca 0.13 -1.42 -0.19 0.00 1.31 0.00 0.00 55.95 55.79 2qp0 s SER 91 Cb 0.13 -2.11 0.05 0.00 0.21 0.00 0.00 66.02 64.30 2qp0 s SER 91 CO -0.02 -0.62 0.58 -0.13 0.41 0.00 0.00 173.24 173.46 2qp0 s ARG 92 N 1.56 3.12 0.09 12.44 1.81 -0.35 -2.29 118.95 135.34 2qp0 s ARG 92 Ca 0.04 -0.85 0.04 0.00 -1.72 0.00 0.00 55.73 53.24 2qp0 s ARG 92 Cb -0.24 -4.06 -0.04 0.00 -0.45 0.00 0.00 34.95 30.16 2qp0 s ARG 92 CO 0.05 -1.12 0.05 0.08 -0.68 0.00 0.00 175.30 173.68 2qp0 s VAL 93 N 2.48 4.29 -0.28 3.52 1.01 0.29 0.47 120.40 132.18 2qp0 s VAL 93 Ca 0.14 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2qp0 s VAL 93 Cb -0.19 -3.07 0.09 0.00 0.00 0.00 0.00 36.38 33.22 2qp0 s VAL 93 CO 0.13 0.10 0.12 0.12 0.00 0.00 0.00 175.10 175.56 2qp0 s PHE 94 N -1.40 0.51 -0.01 5.22 2.19 -0.98 -2.91 117.98 120.61 2qp0 s PHE 94 Ca 0.28 -0.94 -0.15 0.00 0.33 0.00 0.00 56.93 56.45 2qp0 s PHE 94 Cb -0.12 -0.99 -0.06 0.00 -1.31 0.00 0.00 43.02 40.54 2qp0 s PHE 94 CO 0.20 -0.80 0.41 -1.64 1.83 0.00 0.00 175.22 175.23 2qp0 s MET 95 N 2.03 3.94 -0.08 10.12 -1.94 -1.08 -0.49 119.30 131.82 2qp0 s MET 95 Ca 0.08 0.41 -0.03 0.00 -1.71 0.00 0.00 55.69 54.44 2qp0 s MET 95 Cb -0.16 -3.23 0.04 0.00 2.01 0.00 0.00 34.83 33.49 2qp0 s MET 95 CO -0.32 0.66 0.17 -1.14 -0.01 0.00 0.00 175.02 174.38 2qp0 s GLN 96 N -0.98 0.09 0.15 2.03 0.74 -1.26 -1.56 119.66 118.87 2qp0 s GLN 96 Ca 0.24 0.46 -0.31 0.00 0.05 0.00 0.00 55.36 55.79 2qp0 s GLN 96 Cb -0.17 -0.19 -0.09 0.00 1.10 0.00 0.00 33.01 33.66 2qp0 s GLN 96 CO 0.13 -0.21 1.55 -1.25 -0.55 0.00 0.00 175.29 174.96 2qp0 s PRO 97 N 1.54 4.23 0.30 1.67 0.04 -1.26 -2.16 135.00 139.36 2qp0 s PRO 97 Ca -0.06 2.31 0.07 0.00 0.04 0.00 0.00 61.00 63.37 2qp0 s PRO 97 Cb -0.12 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 2qp0 s PRO 97 CO -0.06 -0.59 0.23 0.00 0.04 0.00 0.00 177.00 176.62 2qp0 s ALA 98 N 1.29 3.68 1.06 8.56 0.00 -0.61 -4.85 121.76 130.90 2qp0 s ALA 98 Ca 0.69 -1.57 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2qp0 s ALA 98 Cb -0.42 -1.17 0.22 0.00 0.00 0.00 0.00 23.12 21.75 2qp0 s ALA 98 CO 0.31 0.12 1.13 -1.54 0.00 0.00 0.00 175.76 175.78 2qp0 s SER 99 N -3.91 2.12 0.14 0.00 1.04 -1.26 -4.72 113.70 107.11 2qp0 s SER 99 Ca 0.37 0.83 -0.31 0.00 0.48 0.00 0.00 55.95 57.31 2qp0 s SER 99 Cb -0.06 -1.25 -0.09 0.00 0.10 0.00 0.00 66.02 64.72 2qp0 s SER 99 CO 0.25 -3.40 1.49 -1.61 0.98 0.00 0.00 173.24 170.95 2qp0 s GLU 100 N -5.29 4.26 0.00 4.02 2.02 -1.26 -2.54 118.70 119.92 2qp0 s GLU 100 Ca 0.68 2.22 0.00 0.00 0.02 0.00 0.00 54.97 57.89 2qp0 s GLU 100 Cb -0.13 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2qp0 s GLU 100 CO 0.56 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.71 2qp0 n GLY 101 N 3.64 3.19 0.34 -1.39 0.00 -1.26 -4.87 105.19 104.84 2qp0 n GLY 101 Ca 0.13 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.32 2qp0 n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qp0 h THR 102 N 0.00 0.01 -1.60 2.61 2.02 -1.84 -3.47 112.91 110.64 2qp0 h THR 102 Ca 0.00 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 2qp0 h THR 102 Cb 0.00 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2qp0 h THR 102 CO 0.00 0.00 -0.24 0.61 0.37 0.00 0.00 175.52 176.26 2qp0 n GLY 103 N -1.19 -2.00 3.43 2.16 0.00 -1.25 -4.69 105.19 101.65 2qp0 n GLY 103 Ca -0.02 -1.32 -0.44 0.00 0.00 0.00 0.00 46.02 44.24 2qp0 n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qp0 s ILE 104 N -1.42 5.23 -0.59 -0.61 2.07 -0.69 -1.50 121.20 123.69 2qp0 s ILE 104 Ca 0.00 -0.79 -0.08 0.00 -1.41 0.00 0.00 60.65 58.36 2qp0 s ILE 104 Cb 0.00 -4.02 0.15 0.00 0.13 0.00 0.00 42.46 38.72 2qp0 s ILE 104 CO 0.00 -0.43 0.46 -0.63 -1.91 0.00 0.00 174.94 172.42 2qp0 s ILE 105 N 1.72 4.35 0.08 2.00 1.01 0.49 -4.93 121.20 125.91 2qp0 s ILE 105 Ca 0.05 -2.26 -0.02 0.00 0.00 0.00 0.00 60.65 58.43 2qp0 s ILE 105 Cb -0.21 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2qp0 s ILE 105 CO 0.09 -0.86 0.02 0.00 0.00 0.00 0.00 174.94 174.19 2qp0 s ALA 106 N 0.72 0.51 0.00 9.38 0.00 -1.26 -3.00 121.76 128.11 2qp0 s ALA 106 Ca 0.11 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2qp0 s ALA 106 Cb -0.21 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2qp0 s ALA 106 CO -0.03 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.72 2qp0 n GLY 107 N 0.04 -1.47 0.00 0.00 0.00 -1.26 -4.49 105.19 98.01 2qp0 n GLY 107 Ca -0.12 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2qp0 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qp0 n GLY 108 N 2.33 -0.73 0.67 -0.02 0.00 -1.26 -3.71 105.19 102.46 2qp0 n GLY 108 Ca 0.00 -0.03 0.48 0.00 0.00 0.00 0.00 46.02 46.46 2qp0 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qp0 h ALA 109 N -2.00 3.65 -1.81 4.61 0.00 -1.94 -2.58 119.26 119.20 2qp0 h ALA 109 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qp0 h ALA 109 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2qp0 h ALA 109 CO 0.00 -2.22 0.00 -1.33 0.00 0.00 0.00 179.25 175.70 2qp0 n MET 110 N -3.86 0.00 -0.32 0.00 2.00 -1.26 -2.12 117.12 111.56 2qp0 n MET 110 Ca 0.39 0.54 0.23 0.00 0.00 0.00 0.00 57.70 58.86 2qp0 n MET 110 Cb 1.85 -1.20 0.51 0.00 0.00 0.00 0.00 33.22 34.38 2qp0 n MET 110 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 2qp0 h ARG 111 N 0.00 0.37 -0.13 0.03 0.11 -1.54 -2.15 114.38 111.08 2qp0 h ARG 111 Ca 0.00 -0.02 0.04 0.00 0.10 0.00 0.00 59.98 60.10 2qp0 h ARG 111 Cb 0.00 -0.08 -0.07 0.00 1.11 0.00 0.00 29.97 30.93 2qp0 h ARG 111 CO 0.00 0.25 -0.40 0.00 0.10 0.00 0.00 179.97 179.92 2qp0 h ALA 112 N 1.62 -0.55 -0.12 0.08 0.00 -1.47 -0.30 119.26 118.52 2qp0 h ALA 112 Ca 0.59 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.30 2qp0 h ALA 112 Cb 1.52 0.75 0.00 0.00 0.00 0.00 0.00 17.79 20.06 2qp0 h ALA 112 CO -0.29 -0.90 -0.74 -0.39 0.00 0.00 0.00 179.25 176.93 2qp0 h VAL 113 N -0.48 1.33 -0.69 0.00 -1.51 -1.08 -3.15 116.25 110.68 2qp0 h VAL 113 Ca 0.08 -2.03 -0.02 0.00 -1.23 0.00 0.00 66.70 63.50 2qp0 h VAL 113 Cb 0.61 2.02 -0.03 0.00 -2.13 0.00 0.00 31.29 31.76 2qp0 h VAL 113 CO -0.39 0.63 0.35 -0.07 -1.23 0.00 0.00 177.57 176.86 2qp0 h LEU 114 N 0.41 0.86 0.53 4.19 3.38 -1.21 -1.59 115.31 121.89 2qp0 h LEU 114 Ca -0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2qp0 h LEU 114 Cb 1.33 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.87 2qp0 h LEU 114 CO 0.14 0.71 -0.26 -0.08 0.09 0.00 0.00 178.44 179.05 2qp0 h GLU 115 N 0.96 -0.69 0.00 1.13 4.22 -1.07 -2.04 114.58 117.09 2qp0 h GLU 115 Ca 0.24 0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.73 2qp0 h GLU 115 Cb 0.06 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2qp0 h GLU 115 CO -0.04 -0.38 -0.01 -0.39 -2.18 0.00 0.00 179.01 176.01 2qp0 h VAL 116 N -0.96 0.12 0.00 0.32 -1.51 -1.50 -1.10 116.25 111.62 2qp0 h VAL 116 Ca -0.07 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2qp0 h VAL 116 Cb 0.62 1.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.88 2qp0 h VAL 116 CO 0.12 0.01 -0.02 0.00 -1.23 0.00 0.00 177.57 176.45 2qp0 h ALA 117 N 1.99 1.00 0.00 5.19 0.00 -1.13 -2.13 119.26 124.18 2qp0 h ALA 117 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qp0 h ALA 117 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qp0 h ALA 117 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2qp0 n GLY 118 N 0.24 0.90 3.75 0.00 0.00 -0.42 -3.30 105.19 106.36 2qp0 n GLY 118 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2qp0 n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qp0 s VAL 119 N -2.00 4.04 0.00 1.61 1.01 -0.78 -4.81 120.40 119.47 2qp0 s VAL 119 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.00 2qp0 s VAL 119 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2qp0 s VAL 119 CO 0.00 0.47 0.00 1.41 0.00 0.00 0.00 175.10 176.98 2qp0 n HIS 120 N 1.57 0.00 -3.78 5.22 -0.00 -0.32 -4.40 115.22 113.51 2qp0 n HIS 120 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.41 2qp0 n HIS 120 Cb 0.47 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.31 2qp0 n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2qp0 s ASN 121 N -3.32 4.03 -0.19 0.41 0.01 -1.26 -1.70 114.94 112.92 2qp0 s ASN 121 Ca 0.00 -1.61 -0.09 0.00 -0.71 0.00 0.00 52.86 50.45 2qp0 s ASN 121 Cb 0.00 -0.97 0.07 0.00 0.41 0.00 0.00 41.25 40.76 2qp0 s ASN 121 CO 0.00 -0.39 0.43 0.68 -1.51 0.00 0.00 177.10 176.31 2qp0 s VAL 122 N 1.53 -0.24 -0.82 1.60 -7.23 -0.57 -1.57 120.40 113.10 2qp0 s VAL 122 Ca 0.08 0.11 -0.00 0.00 -1.81 0.00 0.00 61.98 60.36 2qp0 s VAL 122 Cb -0.18 -0.65 0.35 0.00 0.56 0.00 0.00 36.38 36.46 2qp0 s VAL 122 CO -0.20 0.05 1.77 0.00 -0.31 0.00 0.00 175.10 176.40 2qp0 n LEU 123 N 4.65 6.88 -4.80 1.32 -0.00 -0.92 -0.38 117.00 123.74 2qp0 n LEU 123 Ca -0.18 -5.10 -0.34 0.00 -0.00 0.00 0.00 56.01 50.39 2qp0 n LEU 123 Cb 0.53 -0.97 -0.04 0.00 -0.00 0.00 0.00 43.42 42.94 2qp0 n LEU 123 CO 0.05 1.95 0.70 0.00 -0.00 0.00 0.00 177.39 180.09 2qp0 s ALA 124 N -4.03 2.90 -0.11 1.47 0.00 -1.16 -4.55 121.76 116.27 2qp0 s ALA 124 Ca 0.48 0.54 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 2qp0 s ALA 124 Cb 0.35 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 20.30 2qp0 s ALA 124 CO -0.29 -0.26 0.23 0.21 0.00 0.00 0.00 175.76 175.65 2qp0 s LYS 125 N -3.31 0.13 0.02 0.00 2.47 0.36 -4.37 119.74 115.04 2qp0 s LYS 125 Ca 0.66 0.66 0.04 0.00 -1.56 0.00 0.00 55.97 55.76 2qp0 s LYS 125 Cb -0.15 -0.11 -0.03 0.00 -1.46 0.00 0.00 37.83 36.08 2qp0 s LYS 125 CO 0.20 -0.27 -0.07 0.00 0.16 0.00 0.00 175.35 175.37 2qp0 s ALA 126 N 2.15 3.00 0.38 3.13 0.00 -1.26 -2.33 121.76 126.83 2qp0 s ALA 126 Ca -0.01 -1.05 0.04 0.00 0.00 0.00 0.00 51.96 50.95 2qp0 s ALA 126 Cb -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 2qp0 s ALA 126 CO -0.08 0.62 0.15 1.52 0.00 0.00 0.00 175.76 177.97 2qp0 s TYR 127 N -1.02 1.76 0.00 0.00 1.13 0.18 -4.95 117.35 114.45 2qp0 s TYR 127 Ca 0.18 -1.34 0.00 0.00 -1.41 0.00 0.00 57.07 54.50 2qp0 s TYR 127 Cb -0.11 -1.07 0.00 0.00 -1.10 0.00 0.00 41.96 39.68 2qp0 s TYR 127 CO 0.08 -0.39 0.00 0.41 -2.51 0.00 0.00 175.55 173.14 2qp0 n GLY 128 N -0.83 1.00 3.77 5.49 0.00 -1.26 -1.21 105.19 112.15 2qp0 n GLY 128 Ca -0.03 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 2qp0 n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qp0 s SER 129 N -4.00 7.34 0.00 1.61 0.15 0.15 -4.96 113.70 113.99 2qp0 s SER 129 Ca 0.00 1.59 0.18 0.00 0.70 0.00 0.00 55.95 58.42 2qp0 s SER 129 Cb 0.00 -2.49 0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2qp0 s SER 129 CO 0.00 0.16 0.97 0.35 1.20 0.00 0.00 173.24 175.92 2qp0 n THR 130 N 1.93 0.00 -1.64 6.45 -2.24 -1.26 -4.54 114.28 112.97 2qp0 n THR 130 Ca -0.05 -0.38 -0.51 0.00 -2.27 0.00 0.00 64.05 60.85 2qp0 n THR 130 Cb 0.49 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 69.93 2qp0 n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qp0 n ASN 131 N 0.27 2.38 0.49 3.42 5.15 -1.26 -4.82 115.26 120.88 2qp0 n ASN 131 Ca 0.08 1.08 -0.19 0.00 -0.60 0.00 0.00 54.58 54.96 2qp0 n ASN 131 Cb 0.40 -1.26 -0.09 0.00 -0.53 0.00 0.00 39.78 38.30 2qp0 n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qp0 h PRO 132 N 5.97 -1.19 -1.41 1.20 0.13 -1.98 -0.37 132.00 134.34 2qp0 h PRO 132 Ca -0.47 0.08 0.43 0.00 -0.87 0.00 0.00 66.00 65.17 2qp0 h PRO 132 Cb 1.30 0.27 -0.08 0.00 0.13 0.00 0.00 31.00 32.62 2qp0 h PRO 132 CO 0.86 -0.79 0.98 -0.89 -0.23 0.00 0.00 178.00 177.93 2qp0 n ILE 133 N -5.41 -0.07 -0.13 -3.56 -0.00 -1.26 -1.07 119.36 107.86 2qp0 n ILE 133 Ca -0.15 1.27 -0.28 0.00 -0.00 0.00 0.00 62.75 63.59 2qp0 n ILE 133 Cb 0.49 -2.10 -0.10 0.00 -0.00 0.00 0.00 39.64 37.92 2qp0 n ILE 133 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2qp0 n ASN 134 N -3.79 1.96 -0.28 4.38 3.02 -1.14 -4.26 115.26 115.14 2qp0 n ASN 134 Ca 0.34 0.29 -0.03 0.00 -0.03 0.00 0.00 54.58 55.15 2qp0 n ASN 134 Cb 1.48 -0.79 0.02 0.00 -0.61 0.00 0.00 39.78 39.89 2qp0 n ASN 134 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2qp0 h VAL 135 N -0.88 0.10 -0.12 2.41 2.07 0.61 -0.76 116.25 119.69 2qp0 h VAL 135 Ca -0.66 0.00 0.04 0.00 0.82 0.00 0.00 66.70 66.90 2qp0 h VAL 135 Cb 1.63 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 2qp0 h VAL 135 CO -0.37 0.00 -0.23 1.62 0.02 0.00 0.00 177.57 178.61 2qp0 h VAL 136 N -0.09 0.45 -0.50 2.57 3.04 -1.66 0.27 116.25 120.33 2qp0 h VAL 136 Ca 0.29 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 66.12 2qp0 h VAL 136 Cb 0.57 0.45 -0.02 0.00 -2.01 0.00 0.00 31.29 30.28 2qp0 h VAL 136 CO -0.82 0.00 0.45 -0.09 -1.01 0.00 0.00 177.57 176.11 2qp0 h ARG 137 N -0.29 0.00 0.06 4.17 2.43 -1.35 -0.29 114.38 119.11 2qp0 h ARG 137 Ca 0.10 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2qp0 h ARG 137 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2qp0 h ARG 137 CO -0.29 0.00 -0.03 0.00 -1.51 0.00 0.00 179.97 178.15 2qp0 h ALA 138 N 1.56 -0.08 -0.48 2.80 0.00 -0.17 -2.46 119.26 120.43 2qp0 h ALA 138 Ca 0.24 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2qp0 h ALA 138 Cb 1.14 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 2qp0 h ALA 138 CO -0.00 -0.12 -0.22 1.15 0.00 0.00 0.00 179.25 180.06 2qp0 h THR 139 N -0.93 0.35 0.21 0.00 2.02 0.18 0.21 112.91 114.95 2qp0 h THR 139 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.18 2qp0 h THR 139 Cb 0.59 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2qp0 h THR 139 CO 0.01 0.00 -0.40 0.40 0.37 0.00 0.00 175.52 175.90 2qp0 h ILE 140 N -0.12 0.18 -0.30 3.11 2.04 -1.22 -0.94 117.51 120.27 2qp0 h ILE 140 Ca 0.22 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.15 2qp0 h ILE 140 Cb 0.47 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 2qp0 h ILE 140 CO -0.55 0.00 -0.38 -0.78 0.00 0.00 0.00 178.15 176.44 2qp0 h ASP 141 N -0.70 -1.24 -0.84 1.72 1.82 -0.74 -0.75 116.42 115.69 2qp0 h ASP 141 Ca 0.00 0.19 0.15 0.00 -0.39 0.00 0.00 57.03 56.98 2qp0 h ASP 141 Cb 0.69 0.54 -0.09 0.00 0.68 0.00 0.00 39.33 41.14 2qp0 h ASP 141 CO -0.18 -0.37 0.43 1.23 -1.61 0.00 0.00 179.24 178.74 2qp0 h GLY 142 N -0.35 1.36 1.34 -0.78 0.00 -0.37 0.19 103.07 104.47 2qp0 h GLY 142 Ca 0.13 -0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.30 2qp0 h GLY 142 CO -0.49 -0.04 0.24 1.41 0.00 0.00 0.00 176.54 177.66 2qp0 h LEU 143 N 0.61 0.00 0.00 3.11 3.38 0.27 0.45 115.31 123.13 2qp0 h LEU 143 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2qp0 h LEU 143 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2qp0 h LEU 143 CO -0.36 0.00 -0.05 -0.62 0.09 0.00 0.00 178.44 177.50 2qp0 n GLU 144 N -4.23 0.02 0.03 1.13 1.02 0.66 -3.80 120.64 115.47 2qp0 n GLU 144 Ca 0.04 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 2qp0 n GLU 144 Cb 0.41 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.16 2qp0 n GLU 144 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2qp0 h ASN 145 N 0.00 0.40 -0.83 1.62 2.35 -0.80 -3.44 115.58 114.87 2qp0 h ASN 145 Ca 0.00 -0.96 -0.53 0.00 -0.55 0.00 0.00 56.30 54.26 2qp0 h ASN 145 Cb 0.52 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 2qp0 h ASN 145 CO 0.00 1.34 1.63 1.15 -1.65 0.00 0.00 177.43 179.90 2qp0 n MET 146 N -4.19 0.61 -2.64 0.81 0.00 -1.23 -4.89 117.12 105.59 2qp0 n MET 146 Ca -0.13 0.06 -0.41 0.00 0.00 0.00 0.00 57.70 57.22 2qp0 n MET 146 Cb 0.77 -2.44 -0.05 0.00 0.00 0.00 0.00 33.22 31.51 2qp0 n MET 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2qp0 s ASN 147 N 9.83 7.43 0.69 3.17 2.20 -1.26 -4.73 114.94 132.27 2qp0 s ASN 147 Ca 1.16 1.97 -0.17 0.00 -0.94 0.00 0.00 52.86 54.88 2qp0 s ASN 147 Cb -0.77 -2.60 -0.09 0.00 -2.00 0.00 0.00 41.25 35.79 2qp0 s ASN 147 CO 0.41 -0.07 0.14 -1.54 -2.94 0.00 0.00 177.10 173.09 2qp0 n SER 148 N 2.22 -2.64 -0.15 3.54 3.41 -1.26 -4.83 113.62 113.91 2qp0 n SER 148 Ca 0.01 0.56 -0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2qp0 n SER 148 Cb 0.47 -1.04 0.25 0.00 -0.26 0.00 0.00 64.21 63.64 2qp0 n SER 148 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2qp0 h PRO 149 N -0.32 0.85 0.00 4.33 0.13 -1.94 -1.97 132.00 133.09 2qp0 h PRO 149 Ca -0.44 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2qp0 h PRO 149 Cb 1.37 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qp0 h PRO 149 CO 0.40 0.64 -0.65 -0.85 -0.23 0.00 0.00 178.00 177.31 2qp0 n GLU 150 N -4.37 0.28 -0.24 0.86 0.00 -1.26 -3.92 120.64 111.98 2qp0 n GLU 150 Ca 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 57.16 57.26 2qp0 n GLU 150 Cb 0.11 -1.67 0.14 0.00 0.00 0.00 0.00 31.44 30.02 2qp0 n GLU 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 2qp0 h MET 151 N 0.00 1.08 -0.46 3.44 4.05 -1.68 -1.06 114.93 120.30 2qp0 h MET 151 Ca 0.00 -0.16 0.05 0.00 -0.28 0.00 0.00 59.70 59.31 2qp0 h MET 151 Cb 0.73 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 31.29 2qp0 h MET 151 CO 0.00 0.84 0.19 0.28 0.23 0.00 0.00 176.91 178.45 2qp0 h VAL 152 N 1.07 0.90 -0.31 -5.77 2.07 -1.67 0.43 116.25 112.97 2qp0 h VAL 152 Ca 0.26 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 2qp0 h VAL 152 Cb 0.13 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2qp0 h VAL 152 CO -0.03 0.07 -0.03 0.00 0.02 0.00 0.00 177.57 177.60 2qp0 h ALA 153 N 1.28 1.39 -0.25 1.67 0.00 -1.61 -2.05 119.26 119.68 2qp0 h ALA 153 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qp0 h ALA 153 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2qp0 h ALA 153 CO -0.19 0.43 0.14 0.00 0.00 0.00 0.00 179.25 179.63 2qp0 h ALA 154 N 1.52 0.32 0.33 0.00 0.00 0.26 -2.95 119.26 118.75 2qp0 h ALA 154 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qp0 h ALA 154 Cb 0.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2qp0 h ALA 154 CO 0.01 -0.15 -0.39 0.87 0.00 0.00 0.00 179.25 179.59 2qp0 h LYS 155 N 0.30 -0.74 0.00 0.00 1.57 -0.52 -3.45 116.57 113.74 2qp0 h LYS 155 Ca 0.09 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2qp0 h LYS 155 Cb 0.06 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2qp0 h LYS 155 CO -0.01 -0.49 0.00 2.89 -0.57 0.00 0.00 179.45 181.26 2qp0 n ARG 156 N -5.48 0.00 0.00 3.15 1.85 -0.82 -4.90 116.66 110.46 2qp0 n ARG 156 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 2qp0 n ARG 156 Cb 0.39 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.80 2qp0 n ARG 156 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qp0 n GLY 157 N 5.00 0.41 3.80 2.89 0.00 -1.17 -4.85 105.19 111.27 2qp0 n GLY 157 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2qp0 n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60