#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x99 n HIS 2 N 0.00 0.00 -3.96 1.61 -0.00 -1.26 -5.23 115.22 106.38 1x99 n HIS 2 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 1x99 n HIS 2 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 1x99 n HIS 2 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1x99 s SER 4 N -1.00 0.23 0.02 0.41 0.15 -1.26 -4.91 113.70 107.33 1x99 s SER 4 Ca 0.00 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.12 1x99 s SER 4 Cb 0.00 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 1x99 s SER 4 CO 0.00 -0.47 -0.15 -0.31 1.20 0.00 0.00 173.24 173.51 1x99 s TYR 5 N -2.52 1.30 0.05 3.44 1.51 -1.26 -4.85 117.35 115.01 1x99 s TYR 5 Ca -0.06 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 55.77 1x99 s TYR 5 Cb -0.02 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 1x99 s TYR 5 CO -0.04 0.02 -0.20 -1.54 -1.11 0.00 0.00 175.55 172.68 1x99 s SER 6 N -0.80 2.34 -0.10 2.29 1.04 -0.17 -4.47 113.70 113.83 1x99 s SER 6 Ca 0.04 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.93 1x99 s SER 6 Cb -0.07 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.90 1x99 s SER 6 CO 0.01 0.12 -0.10 -0.63 0.98 0.00 0.00 173.24 173.62 1x99 s ILE 7 N -0.88 1.11 -0.19 -1.02 1.01 -0.06 -0.85 121.20 120.31 1x99 s ILE 7 Ca 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1x99 s ILE 7 Cb -0.09 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 1x99 s ILE 7 CO 0.02 0.37 -0.04 -0.89 0.00 0.00 0.00 174.94 174.40 1x99 s THR 8 N 1.30 3.57 -0.09 2.92 2.01 -0.27 -0.79 115.64 124.28 1x99 s THR 8 Ca -0.02 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1x99 s THR 8 Cb -0.14 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1x99 s THR 8 CO -0.04 0.45 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.47 1x99 s LEU 9 N 1.04 2.93 -0.04 4.42 1.43 0.12 -1.06 118.68 127.52 1x99 s LEU 9 Ca 0.01 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1x99 s LEU 9 Cb -0.15 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1x99 s LEU 9 CO 0.00 0.28 -0.23 -0.13 0.23 0.00 0.00 176.35 176.50 1x99 s ARG 10 N -0.34 2.22 -0.21 1.70 0.52 -0.86 -0.78 118.95 121.19 1x99 s ARG 10 Ca 0.04 -0.84 -0.09 0.00 -0.52 0.00 0.00 55.73 54.32 1x99 s ARG 10 Cb -0.13 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1x99 s ARG 10 CO 0.02 0.41 0.11 0.08 0.02 0.00 0.00 175.30 175.94 1x99 s VAL 11 N -0.27 5.05 -0.18 3.52 1.01 -1.26 -0.97 120.40 127.29 1x99 s VAL 11 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1x99 s VAL 11 Cb -0.12 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1x99 s VAL 11 CO 0.02 0.40 -0.09 -0.31 0.00 0.00 0.00 175.10 175.12 1x99 s TYR 12 N 0.77 2.89 -0.15 5.22 1.51 0.49 -4.97 117.35 123.11 1x99 s TYR 12 Ca 0.06 -0.86 0.01 0.00 -1.01 0.00 0.00 57.07 55.27 1x99 s TYR 12 Cb -0.13 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 1x99 s TYR 12 CO 0.02 -0.41 -0.18 -0.65 -1.11 0.00 0.00 175.55 173.21 1x99 s GLN 13 N 0.97 3.12 0.00 -0.62 -0.21 -1.26 -0.65 119.66 121.01 1x99 s GLN 13 Ca -0.01 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.57 1x99 s GLN 13 Cb -0.15 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.33 1x99 s GLN 13 CO -0.00 0.00 0.00 0.25 -2.12 0.00 0.00 175.29 173.42 1x99 n THR 14 N 4.07 0.00 -3.89 -0.19 -2.24 -0.74 -4.98 114.28 106.30 1x99 n THR 14 Ca -0.19 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 1x99 n THR 14 Cb 0.52 0.67 -0.16 0.00 -2.10 0.00 0.00 70.33 69.26 1x99 n THR 14 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1x99 s ASN 15 N -1.55 3.77 0.56 3.42 3.84 -1.26 -4.99 114.94 118.73 1x99 s ASN 15 Ca 0.00 -1.23 0.25 0.00 0.21 0.00 0.00 52.86 52.09 1x99 s ASN 15 Cb 0.00 -1.08 1.61 0.00 -0.55 0.00 0.00 41.25 41.23 1x99 s ASN 15 CO 0.00 -0.27 2.20 0.03 -2.79 0.00 0.00 177.10 176.27 1x99 h ARG 16 N 7.99 0.00 0.00 0.43 2.47 -1.94 -1.86 114.38 121.47 1x99 h ARG 16 Ca -0.16 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1x99 h ARG 16 Cb 1.07 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1x99 h ARG 16 CO 0.41 0.00 -0.02 -0.44 0.56 0.00 0.00 179.97 180.48 1x99 h ASP 17 N 0.00 0.00 -0.03 7.04 3.32 -2.00 -1.77 116.42 122.98 1x99 h ASP 17 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1x99 h ASP 17 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1x99 h ASP 17 CO -0.00 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 178.08 1x99 n ARG 18 N -3.27 1.24 -0.33 3.56 5.12 -0.70 -5.04 116.66 117.24 1x99 n ARG 18 Ca -0.02 -0.36 0.05 0.00 -1.93 0.00 0.00 57.85 55.59 1x99 n ARG 18 Cb 0.14 -1.40 -0.01 0.00 -1.16 0.00 0.00 32.46 30.03 1x99 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x99 n GLY 19 N 0.98 -1.67 3.36 -0.13 0.00 -0.67 -4.70 105.19 102.36 1x99 n GLY 19 Ca 0.18 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 1x99 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x99 s TYR 20 N -0.67 2.85 0.09 1.61 5.04 -1.26 -4.80 117.35 120.21 1x99 s TYR 20 Ca 0.00 -0.70 -0.15 0.00 -2.44 0.00 0.00 57.07 53.77 1x99 s TYR 20 Cb 0.00 -1.90 -0.06 0.00 0.35 0.00 0.00 41.96 40.35 1x99 s TYR 20 CO 0.00 -0.28 0.51 -0.06 -1.34 0.00 0.00 175.55 174.38 1x99 s PHE 21 N 0.57 3.68 0.08 4.97 0.40 -1.26 -1.13 117.98 125.28 1x99 s PHE 21 Ca -0.07 1.07 0.02 0.00 -0.60 0.00 0.00 56.93 57.35 1x99 s PHE 21 Cb -0.15 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.98 1x99 s PHE 21 CO 0.03 0.53 -0.07 -1.54 0.70 0.00 0.00 175.22 174.87 1x99 s SER 22 N -1.43 1.07 0.10 1.36 1.04 -1.26 -4.97 113.70 109.61 1x99 s SER 22 Ca 0.32 -0.84 -0.30 0.00 0.48 0.00 0.00 55.95 55.60 1x99 s SER 22 Cb -0.16 0.07 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 1x99 s SER 22 CO 0.18 -0.37 1.14 -0.63 0.98 0.00 0.00 173.24 174.54 1x99 s ILE 23 N -2.81 4.05 -0.18 -1.02 1.01 -1.26 -4.31 121.20 116.68 1x99 s ILE 23 Ca 0.04 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.29 1x99 s ILE 23 Cb -0.00 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 1x99 s ILE 23 CO -0.03 0.18 0.27 1.33 0.00 0.00 0.00 174.94 176.69 1x99 n VAL 24 N 3.32 0.00 -3.59 2.92 0.24 0.54 -4.98 118.33 116.79 1x99 n VAL 24 Ca 0.06 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 1x99 n VAL 24 Cb 0.47 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 1x99 n VAL 24 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1x99 s GLU 25 N -0.83 0.67 -0.09 7.34 2.12 -1.18 -4.98 118.70 121.75 1x99 s GLU 25 Ca 0.02 0.34 -0.03 0.00 0.36 0.00 0.00 54.97 55.66 1x99 s GLU 25 Cb 0.02 0.32 0.05 0.00 0.26 0.00 0.00 34.13 34.77 1x99 s GLU 25 CO 0.07 -0.17 0.11 0.15 -0.54 0.00 0.00 175.26 174.87 1x99 s LYS 26 N -0.67 0.00 0.25 4.30 1.02 -1.26 -1.50 119.74 121.89 1x99 s LYS 26 Ca -0.02 0.31 0.12 0.00 0.02 0.00 0.00 55.97 56.39 1x99 s LYS 26 Cb -0.02 -0.81 -0.05 0.00 -0.52 0.00 0.00 37.83 36.43 1x99 s LYS 26 CO 0.01 -0.43 -0.19 0.95 -0.92 0.00 0.00 175.35 174.77 1x99 s THR 27 N 2.21 2.55 -0.05 2.17 -4.23 -1.26 -5.03 115.64 112.00 1x99 s THR 27 Ca 0.04 -2.25 0.01 0.00 -1.18 0.00 0.00 61.69 58.31 1x99 s THR 27 Cb -0.13 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1x99 s THR 27 CO -0.06 -0.32 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.97 1x99 s VAL 28 N -2.26 0.56 0.53 2.29 1.01 -1.26 -4.36 120.40 116.90 1x99 s VAL 28 Ca 0.28 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 1x99 s VAL 28 Cb -0.06 -0.58 -0.07 0.00 0.00 0.00 0.00 36.38 35.67 1x99 s VAL 28 CO 0.14 0.23 1.03 0.86 0.00 0.00 0.00 175.10 177.36 1x99 s TRP 29 N 0.96 3.12 -2.17 5.22 -0.11 -0.34 -4.95 118.94 120.68 1x99 s TRP 29 Ca -0.10 1.53 0.26 0.00 1.22 0.00 0.00 56.10 59.01 1x99 s TRP 29 Cb -0.14 -2.97 0.68 0.00 -1.50 0.00 0.00 33.47 29.55 1x99 s TRP 29 CO -0.00 -0.76 1.53 -2.39 -4.62 0.00 0.00 176.95 170.70 1x99 n HIS 30 N -1.45 0.00 -1.30 5.86 1.44 -1.26 -4.29 115.22 114.22 1x99 n HIS 30 Ca 0.08 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.50 1x99 n HIS 30 Cb 0.53 -0.05 0.13 0.00 0.12 0.00 0.00 29.99 30.72 1x99 n HIS 30 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1x99 s PHE 31 N -2.28 2.44 -1.46 -1.40 2.99 -1.26 -3.75 117.98 113.25 1x99 s PHE 31 Ca 0.28 1.21 -0.09 0.00 0.00 0.00 0.00 56.93 58.33 1x99 s PHE 31 Cb 0.20 -3.16 0.04 0.00 0.00 0.00 0.00 43.02 40.10 1x99 s PHE 31 CO 0.44 -2.26 0.83 0.00 -0.00 0.00 0.00 175.22 174.24 1x99 n ALA 32 N -3.78 -1.16 -1.69 5.36 0.00 -1.26 -1.26 120.51 116.73 1x99 n ALA 32 Ca 0.07 0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 1x99 n ALA 32 Cb 0.56 -4.26 -0.04 0.00 0.00 0.00 0.00 19.45 15.70 1x99 n ALA 32 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1x99 n ASN 33 N -2.69 -4.57 0.00 0.00 4.05 -1.26 -2.52 115.26 108.27 1x99 n ASN 33 Ca -0.02 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.24 1x99 n ASN 33 Cb 0.56 -3.45 0.00 0.00 1.23 0.00 0.00 39.78 38.12 1x99 n ASN 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1x99 n GLY 34 N -1.17 0.84 0.00 8.20 0.00 -0.39 -4.47 105.19 108.19 1x99 n GLY 34 Ca -0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1x99 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x99 n GLY 35 N 0.00 -1.81 3.17 -0.02 0.00 -1.26 -1.11 105.19 104.16 1x99 n GLY 35 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1x99 n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x99 s THR 36 N -2.44 0.06 0.08 2.61 -4.23 -0.09 -4.92 115.64 106.71 1x99 s THR 36 Ca 0.00 -0.48 -0.10 0.00 -1.18 0.00 0.00 61.69 59.93 1x99 s THR 36 Cb 0.00 -0.51 -0.06 0.00 1.34 0.00 0.00 72.50 73.28 1x99 s THR 36 CO 0.00 -0.26 0.41 0.26 -0.54 0.00 0.00 174.62 174.48 1x99 s TRP 37 N -1.12 3.58 0.12 3.99 0.52 -1.26 -0.86 118.94 123.91 1x99 s TRP 37 Ca -0.12 0.80 -0.01 0.00 0.02 0.00 0.00 56.10 56.80 1x99 s TRP 37 Cb -0.06 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 1x99 s TRP 37 CO 0.03 0.51 0.03 -1.54 0.02 0.00 0.00 176.95 176.00 1x99 s SER 38 N -1.76 0.50 -0.05 2.95 1.04 0.22 -4.99 113.70 111.61 1x99 s SER 38 Ca 0.33 -1.16 0.04 0.00 0.48 0.00 0.00 55.95 55.64 1x99 s SER 38 Cb -0.14 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1x99 s SER 38 CO 0.18 -0.68 -0.16 -1.61 0.98 0.00 0.00 173.24 171.96 1x99 s GLU 39 N -4.00 1.80 -0.20 4.02 2.02 -1.26 -1.16 118.70 119.92 1x99 s GLU 39 Ca 0.21 -0.55 -0.22 0.00 0.02 0.00 0.00 54.97 54.43 1x99 s GLU 39 Cb 0.07 -1.52 0.06 0.00 0.10 0.00 0.00 34.13 32.84 1x99 s GLU 39 CO -0.00 0.17 0.60 0.00 0.02 0.00 0.00 175.26 176.04 1x99 s ALA 40 N 0.25 -1.49 -1.12 5.21 0.00 -0.58 -4.95 121.76 119.09 1x99 s ALA 40 Ca -0.08 1.60 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 1x99 s ALA 40 Cb -0.13 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.18 1x99 s ALA 40 CO 0.03 -0.29 0.27 0.27 0.00 0.00 0.00 175.76 176.04 1x99 n ASN 41 N 2.51 -3.69 -0.06 0.00 2.04 -1.26 -0.44 115.26 114.36 1x99 n ASN 41 Ca -0.15 -0.10 -0.01 0.00 -0.44 0.00 0.00 54.58 53.89 1x99 n ASN 41 Cb 0.56 -3.10 -0.00 0.00 -2.53 0.00 0.00 39.78 34.71 1x99 n ASN 41 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1x99 n GLY 42 N -1.00 0.38 3.66 4.83 0.00 -1.26 -5.03 105.19 106.77 1x99 n GLY 42 Ca -0.07 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1x99 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x99 s ALA 43 N -1.70 3.18 -0.18 4.61 0.00 0.42 -4.71 121.76 123.38 1x99 s ALA 43 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.41 1x99 s ALA 43 Cb 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1x99 s ALA 43 CO 0.00 0.33 -0.18 -1.01 0.00 0.00 0.00 175.76 174.90 1x99 s HIS 44 N -2.13 2.78 -0.16 0.00 3.76 0.04 -1.52 115.29 118.06 1x99 s HIS 44 Ca 0.30 -1.47 -0.01 0.00 -0.15 0.00 0.00 55.06 53.73 1x99 s HIS 44 Cb -0.07 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 1x99 s HIS 44 CO 0.20 -0.72 -0.12 0.99 -0.85 0.00 0.00 174.74 174.23 1x99 s THR 45 N 1.20 3.00 -0.29 1.30 2.01 -0.31 0.14 115.64 122.69 1x99 s THR 45 Ca 0.02 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.24 1x99 s THR 45 Cb -0.14 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1x99 s THR 45 CO -0.09 0.50 0.25 -0.22 -0.69 0.00 0.00 174.62 174.37 1x99 s LEU 46 N 0.72 4.12 0.37 4.42 2.96 0.03 -0.61 118.68 130.68 1x99 s LEU 46 Ca -0.06 -0.01 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 1x99 s LEU 46 Cb -0.15 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 1x99 s LEU 46 CO 0.02 -0.12 0.27 -0.89 -1.32 0.00 0.00 176.35 174.30 1x99 s THR 47 N 1.84 2.95 0.00 3.68 2.01 -0.04 -0.88 115.64 125.20 1x99 s THR 47 Ca 0.09 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.60 1x99 s THR 47 Cb -0.16 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1x99 s THR 47 CO 0.11 -0.10 0.21 0.61 -0.69 0.00 0.00 174.62 174.76 1x99 n GLY 49 N -1.35 -0.06 0.00 4.40 0.00 -0.27 -0.92 105.19 107.00 1x99 n GLY 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x99 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x99 n GLY 50 N 0.58 0.27 3.77 -0.02 0.00 -1.05 -4.47 105.19 104.26 1x99 n GLY 50 Ca 0.00 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1x99 n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x99 s SER 51 N 0.00 6.16 0.00 1.61 0.15 -1.26 -4.14 113.70 116.22 1x99 s SER 51 Ca 0.00 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.36 1x99 s SER 51 Cb 0.00 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1x99 s SER 51 CO 0.00 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1x99 n GLY 52 N 0.64 1.32 0.00 9.45 0.00 0.29 -4.73 105.19 112.16 1x99 n GLY 52 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1x99 n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x99 n THR 53 N -0.99 0.00 -3.81 2.61 5.66 -1.20 -4.61 114.28 111.93 1x99 n THR 53 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1x99 n THR 53 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1x99 n THR 53 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1x99 s SER 54 N -0.64 -0.06 0.00 1.09 1.04 -1.26 -2.15 113.70 111.71 1x99 s SER 54 Ca 0.00 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1x99 s SER 54 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1x99 s SER 54 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1x99 n GLY 55 N -0.62 3.85 2.88 7.32 0.00 -0.46 -1.19 105.19 116.96 1x99 n GLY 55 Ca -0.04 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 1x99 n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x99 s LEU 57 N 0.00 0.61 -0.15 0.99 1.43 -0.40 -1.68 118.68 119.48 1x99 s LEU 57 Ca 0.00 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.30 1x99 s LEU 57 Cb 0.00 0.28 -0.04 0.00 0.03 0.00 0.00 46.19 46.46 1x99 s LEU 57 CO 0.00 -0.17 0.09 -0.60 0.23 0.00 0.00 176.35 175.90 1x99 s ARG 58 N 1.38 3.69 0.00 1.70 3.52 -0.56 -0.88 118.95 127.80 1x99 s ARG 58 Ca -0.07 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 1x99 s ARG 58 Cb -0.12 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 1x99 s ARG 58 CO -0.05 0.51 0.00 1.19 -0.81 0.00 0.00 175.30 176.13 1x99 n PHE 59 N 2.81 -0.50 -4.27 5.12 3.01 0.48 -0.34 117.46 123.77 1x99 n PHE 59 Ca -0.18 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.13 1x99 n PHE 59 Cb 0.53 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.90 1x99 n PHE 59 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1x99 s SER 61 N -0.57 1.25 0.26 4.37 1.04 -0.21 -1.53 113.70 118.31 1x99 s SER 61 Ca 0.00 -1.24 0.19 0.00 0.48 0.00 0.00 55.95 55.38 1x99 s SER 61 Cb 0.00 0.12 0.98 0.00 0.10 0.00 0.00 66.02 67.23 1x99 s SER 61 CO 0.00 -0.62 1.58 0.35 0.98 0.00 0.00 173.24 175.53 1x99 n THR 62 N -0.32 1.13 -0.17 2.02 -2.24 -0.28 -0.93 114.28 113.49 1x99 n THR 62 Ca -0.04 0.62 0.12 0.00 -2.27 0.00 0.00 64.05 62.48 1x99 n THR 62 Cb 0.64 -1.61 0.29 0.00 -2.10 0.00 0.00 70.33 67.56 1x99 n THR 62 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x99 n LYS 63 N -2.14 2.67 -0.95 -0.78 5.02 -1.26 -4.97 118.16 115.74 1x99 n LYS 63 Ca -0.01 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.71 1x99 n LYS 63 Cb 0.06 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1x99 n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x99 n GLY 64 N 1.63 0.44 3.72 0.72 0.00 -0.10 -5.03 105.19 106.57 1x99 n GLY 64 Ca 0.23 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 1x99 n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x99 s GLU 65 N -1.39 4.48 -0.15 1.61 2.12 -1.26 -4.81 118.70 119.29 1x99 s GLU 65 Ca 0.00 1.03 -0.01 0.00 0.36 0.00 0.00 54.97 56.35 1x99 s GLU 65 Cb 0.00 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 1x99 s GLU 65 CO 0.00 0.12 -0.11 1.03 -0.54 0.00 0.00 175.26 175.75 1x99 s ARG 66 N 0.56 3.37 -0.01 4.30 0.52 -1.26 -1.04 118.95 125.38 1x99 s ARG 66 Ca 0.40 -0.68 -0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1x99 s ARG 66 Cb -0.19 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1x99 s ARG 66 CO 0.21 0.10 0.03 0.42 0.02 0.00 0.00 175.30 176.07 1x99 s ILE 67 N 0.66 0.00 0.04 1.52 1.01 -0.58 -3.07 121.20 120.78 1x99 s ILE 67 Ca -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 60.65 60.63 1x99 s ILE 67 Cb -0.15 -0.05 -0.03 0.00 0.01 0.00 0.00 42.46 42.23 1x99 s ILE 67 CO 0.02 -0.01 -0.10 0.42 0.00 0.00 0.00 174.94 175.27 1x99 s THR 68 N -0.00 3.35 -0.12 2.92 -4.23 -0.40 -0.39 115.64 116.76 1x99 s THR 68 Ca -0.00 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1x99 s THR 68 Cb -0.00 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1x99 s THR 68 CO 0.00 0.31 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.49 1x99 s VAL 69 N -1.03 2.17 -0.07 2.29 1.01 -0.06 -1.47 120.40 123.25 1x99 s VAL 69 Ca 0.17 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1x99 s VAL 69 Cb -0.11 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1x99 s VAL 69 CO 0.08 0.55 -0.17 0.00 0.00 0.00 0.00 175.10 175.56 1x99 s ALA 70 N 0.60 2.52 0.03 5.51 0.00 -0.16 -1.28 121.76 128.98 1x99 s ALA 70 Ca -0.12 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1x99 s ALA 70 Cb -0.17 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 21.99 1x99 s ALA 70 CO 0.03 0.45 -0.06 0.14 0.00 0.00 0.00 175.76 176.32 1x99 s VAL 71 N -0.33 0.38 0.00 0.00 -7.23 -0.68 -1.60 120.40 110.94 1x99 s VAL 71 Ca 0.02 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1x99 s VAL 71 Cb -0.13 -0.45 0.00 0.00 0.56 0.00 0.00 36.38 36.37 1x99 s VAL 71 CO 0.02 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1x99 n GLY 72 N 1.78 1.05 3.00 2.32 0.00 -0.96 -1.36 105.19 111.02 1x99 n GLY 72 Ca -0.21 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 1x99 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x99 s VAL 73 N -2.39 1.11 -0.14 1.61 1.01 -0.91 -0.88 120.40 119.81 1x99 s VAL 73 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1x99 s VAL 73 Cb 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1x99 s VAL 73 CO 0.00 0.36 -0.14 -2.28 0.00 0.00 0.00 175.10 173.03 1x99 s HIS 74 N 0.87 2.10 -1.51 5.22 5.04 0.26 -0.55 115.29 126.72 1x99 s HIS 74 Ca -0.11 -1.12 -0.07 0.00 -1.54 0.00 0.00 55.06 52.22 1x99 s HIS 74 Cb -0.15 -1.54 0.06 0.00 0.04 0.00 0.00 32.58 30.99 1x99 s HIS 74 CO 0.01 -0.61 0.56 -1.71 -2.34 0.00 0.00 174.74 170.65 1x99 n ASN 75 N 4.61 -1.50 0.00 9.88 4.05 -1.26 -1.73 115.26 129.31 1x99 n ASN 75 Ca -0.17 -1.00 0.00 0.00 0.45 0.00 0.00 54.58 53.85 1x99 n ASN 75 Cb 0.50 -2.97 0.00 0.00 1.23 0.00 0.00 39.78 38.55 1x99 n ASN 75 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1x99 n TYR 76 N -4.42 0.00 -4.63 1.20 4.02 -1.26 -5.00 117.16 107.07 1x99 n TYR 76 Ca -0.17 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.46 1x99 n TYR 76 Cb 0.61 -0.62 -0.14 0.00 -0.02 0.00 0.00 39.34 39.17 1x99 n TYR 76 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1x99 s LYS 77 N -0.60 1.42 0.70 -0.72 1.02 -0.71 -4.86 119.74 116.00 1x99 s LYS 77 Ca 0.00 -1.02 -0.15 0.00 0.02 0.00 0.00 55.97 54.82 1x99 s LYS 77 Cb 0.00 -1.59 0.02 0.00 -0.52 0.00 0.00 37.83 35.74 1x99 s LYS 77 CO 0.00 0.40 1.16 -0.98 -0.92 0.00 0.00 175.35 175.01 1x99 s ARG 78 N -1.33 2.46 0.10 1.68 3.03 -1.26 -0.57 118.95 123.05 1x99 s ARG 78 Ca 0.08 1.57 -0.02 0.00 2.03 0.00 0.00 55.73 59.39 1x99 s ARG 78 Cb -0.09 -1.89 -0.04 0.00 -1.03 0.00 0.00 34.95 31.90 1x99 s ARG 78 CO 0.02 -1.54 0.04 1.67 -1.13 0.00 0.00 175.30 174.36 1x99 s TRP 79 N -2.17 0.65 0.17 5.89 1.48 -0.06 -3.54 118.94 121.35 1x99 s TRP 79 Ca 0.70 -1.10 -0.18 0.00 -1.06 0.00 0.00 56.10 54.47 1x99 s TRP 79 Cb -0.25 -0.39 0.04 0.00 -1.16 0.00 0.00 33.47 31.70 1x99 s TRP 79 CO 0.43 -0.47 0.49 0.00 -4.06 0.00 0.00 176.95 173.34 1x99 s ASP 81 N -2.84 -0.59 -0.05 0.00 2.15 -0.63 -4.73 116.67 109.99 1x99 s ASP 81 Ca 0.06 0.38 0.03 0.00 0.43 0.00 0.00 52.55 53.45 1x99 s ASP 81 Cb 0.00 0.54 0.01 0.00 -0.30 0.00 0.00 42.92 43.17 1x99 s ASP 81 CO -0.07 -0.74 -0.11 -0.69 -0.17 0.00 0.00 175.17 173.39 1x99 s VAL 82 N -2.29 1.01 -0.14 1.11 1.01 -1.26 -0.99 120.40 118.85 1x99 s VAL 82 Ca -0.05 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1x99 s VAL 82 Cb -0.00 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.47 1x99 s VAL 82 CO -0.00 0.32 -0.21 -0.69 0.00 0.00 0.00 175.10 174.51 1x99 s VAL 83 N 0.40 2.21 0.51 2.92 1.01 -0.54 -4.99 120.40 121.92 1x99 s VAL 83 Ca -0.08 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1x99 s VAL 83 Cb -0.12 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1x99 s VAL 83 CO 0.02 0.54 0.25 0.42 0.00 0.00 0.00 175.10 176.33 1x99 s THR 84 N 0.73 1.61 -0.93 3.92 -4.23 -1.26 -1.27 115.64 114.20 1x99 s THR 84 Ca -0.09 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1x99 s THR 84 Cb -0.16 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1x99 s THR 84 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1x99 n GLY 85 N -1.53 0.15 3.74 3.99 0.00 -1.24 -4.97 105.19 105.32 1x99 n GLY 85 Ca -0.07 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1x99 n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x99 s LEU 86 N -2.89 4.55 0.68 0.99 1.43 -1.17 -5.04 118.68 117.23 1x99 s LEU 86 Ca 0.00 1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.97 1x99 s LEU 86 Cb 0.00 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.62 1x99 s LEU 86 CO 0.00 -0.05 1.07 -0.54 0.23 0.00 0.00 176.35 177.06 1x99 s LYS 87 N -0.66 2.91 0.41 1.70 1.02 -1.26 -4.55 119.74 119.30 1x99 s LYS 87 Ca 0.45 1.07 0.16 0.00 0.02 0.00 0.00 55.97 57.67 1x99 s LYS 87 Cb -0.27 -1.98 1.04 0.00 -0.52 0.00 0.00 37.83 36.09 1x99 s LYS 87 CO 0.33 -1.13 1.86 -1.35 -0.92 0.00 0.00 175.35 174.15 1x99 h PRO 88 N -0.48 0.44 -0.01 -1.68 0.11 -1.97 -1.28 132.00 127.13 1x99 h PRO 88 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1x99 h PRO 88 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1x99 h PRO 88 CO 0.56 0.29 -0.11 -0.40 -0.21 0.00 0.00 178.00 178.13 1x99 n ASP 89 N -4.52 0.74 -4.05 -2.05 5.75 -1.26 -4.46 116.55 106.70 1x99 n ASP 89 Ca 0.19 -0.87 -0.43 0.00 -0.01 0.00 0.00 54.79 53.67 1x99 n ASP 89 Cb 0.65 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1x99 n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1x99 n GLU 90 N -0.67 3.49 -1.85 0.11 1.02 -0.49 -4.91 120.64 117.35 1x99 n GLU 90 Ca 0.16 -3.55 -0.29 0.00 -0.02 0.00 0.00 57.16 53.46 1x99 n GLU 90 Cb 0.29 -3.00 0.08 0.00 -0.02 0.00 0.00 31.44 28.79 1x99 n GLU 90 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1x99 s THR 91 N 1.02 2.53 0.48 2.62 -4.23 -1.26 -4.78 115.64 112.03 1x99 s THR 91 Ca 0.41 0.17 0.13 0.00 -1.18 0.00 0.00 61.69 61.23 1x99 s THR 91 Cb 0.06 -3.14 0.26 0.00 1.34 0.00 0.00 72.50 71.03 1x99 s THR 91 CO 0.00 -0.23 2.11 0.00 -0.54 0.00 0.00 174.62 175.97 1x99 h ALA 92 N -0.97 1.89 -0.22 3.99 0.00 -1.96 0.03 119.26 122.03 1x99 h ALA 92 Ca -0.46 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1x99 h ALA 92 Cb 1.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1x99 h ALA 92 CO 0.65 0.09 0.15 1.25 0.00 0.00 0.00 179.25 181.39 1x99 h LEU 93 N 0.16 0.23 0.06 0.00 6.46 -1.98 0.16 115.31 120.40 1x99 h LEU 93 Ca 0.04 -0.01 -0.21 0.00 -0.12 0.00 0.00 57.88 57.58 1x99 h LEU 93 Cb 0.01 -0.06 0.02 0.00 -0.73 0.00 0.00 40.66 39.90 1x99 h LEU 93 CO -0.01 0.17 -0.87 0.58 -0.62 0.00 0.00 178.44 177.69 1x99 h VAL 94 N 0.28 1.39 0.26 1.05 2.07 -1.37 -3.40 116.25 116.52 1x99 h VAL 94 Ca 0.08 -2.29 -0.34 0.00 0.82 0.00 0.00 66.70 64.97 1x99 h VAL 94 Cb -0.00 2.72 0.04 0.00 -1.52 0.00 0.00 31.29 32.53 1x99 h VAL 94 CO -0.02 0.68 -1.50 0.40 0.02 0.00 0.00 177.57 177.15 1x99 h ILE 95 N 0.00 1.27 -0.80 4.57 1.08 -0.95 -3.37 117.51 119.31 1x99 h ILE 95 Ca -0.13 -2.69 0.03 0.00 -0.39 0.00 0.00 64.86 61.68 1x99 h ILE 95 Cb 1.59 3.04 -0.05 0.00 -3.07 0.00 0.00 36.82 38.33 1x99 h ILE 95 CO 0.17 0.81 0.51 -1.13 -0.69 0.00 0.00 178.15 177.82 1x99 h ASN 96 N 0.15 0.84 0.37 1.72 -0.73 -1.18 -0.81 115.58 115.93 1x99 h ASN 96 Ca -0.26 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.90 1x99 h ASN 96 Cb 2.18 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 40.58 1x99 h ASN 96 CO 0.28 0.58 0.00 -0.65 -0.37 0.00 0.00 177.43 177.26 1x99 h PRO 97 N 0.99 0.00 0.00 6.67 0.11 -1.78 -3.09 132.00 134.90 1x99 h PRO 97 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1x99 h PRO 97 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1x99 h PRO 97 CO -0.11 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.72 1x99 n GLN 98 N -3.04 0.17 0.00 1.05 6.02 -0.31 -1.76 117.38 119.51 1x99 n GLN 98 Ca -0.02 0.43 0.14 0.00 -0.01 0.00 0.00 57.00 57.55 1x99 n GLN 98 Cb 0.15 -1.84 0.69 0.00 1.02 0.00 0.00 30.24 30.26 1x99 n GLN 98 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1x99 n TYR 99 N -2.17 0.00 -4.33 1.08 4.02 -1.17 -0.99 117.16 113.60 1x99 n TYR 99 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.73 1x99 n TYR 99 Cb 0.20 -0.38 -0.10 0.00 -0.02 0.00 0.00 39.34 39.04 1x99 n TYR 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1x99 s TYR 100 N -2.75 1.59 -1.46 -0.72 2.02 -0.72 -3.59 117.35 111.71 1x99 s TYR 100 Ca 0.22 -0.78 -0.08 0.00 -0.37 0.00 0.00 57.07 56.05 1x99 s TYR 100 Cb 0.19 -0.87 0.03 0.00 -0.40 0.00 0.00 41.96 40.92 1x99 s TYR 100 CO 0.48 0.12 0.81 0.09 -1.57 0.00 0.00 175.55 175.47 1x99 n ASN 101 N -0.39 -5.54 -3.60 2.29 3.02 -1.26 -1.95 115.26 107.82 1x99 n ASN 101 Ca -0.07 -0.47 -0.20 0.00 -0.03 0.00 0.00 54.58 53.81 1x99 n ASN 101 Cb 0.62 -4.44 0.05 0.00 -0.61 0.00 0.00 39.78 35.40 1x99 n ASN 101 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1x99 n ASN 102 N -2.67 -1.89 -0.78 6.41 3.02 -1.26 -4.91 115.26 113.17 1x99 n ASN 102 Ca -0.03 -0.77 0.12 0.00 -0.03 0.00 0.00 54.58 53.86 1x99 n ASN 102 Cb 0.57 -4.37 0.30 0.00 -0.61 0.00 0.00 39.78 35.67 1x99 n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x99 n GLY 103 N -1.44 0.75 0.00 7.41 0.00 -0.82 -4.93 105.19 106.15 1x99 n GLY 103 Ca -0.28 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1x99 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x99 n GLY 104 N 1.29 2.44 0.00 -0.02 0.00 -1.09 -4.69 105.19 103.11 1x99 n GLY 104 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1x99 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x99 n ARG 105 N -0.65 1.76 -0.27 1.61 1.74 -0.17 -4.75 116.66 115.93 1x99 n ARG 105 Ca 0.00 -1.13 0.09 0.00 -0.77 0.00 0.00 57.85 56.04 1x99 n ARG 105 Cb 0.00 -0.93 0.33 0.00 -1.02 0.00 0.00 32.46 30.85 1x99 n ARG 105 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1x99 h ASP 106 N 0.00 0.73 -0.88 0.55 3.45 -1.64 -2.47 116.42 116.17 1x99 h ASP 106 Ca 0.00 0.03 0.09 0.00 0.43 0.00 0.00 57.03 57.58 1x99 h ASP 106 Cb 0.46 -0.12 -0.07 0.00 -0.56 0.00 0.00 39.33 39.04 1x99 h ASP 106 CO 0.00 0.41 0.53 0.10 -1.57 0.00 0.00 179.24 178.71 1x99 h TYR 107 N 0.80 0.97 -0.09 4.55 -0.00 -1.88 -0.96 116.97 120.36 1x99 h TYR 107 Ca 0.42 0.03 -0.20 0.00 0.00 0.00 0.00 58.73 58.98 1x99 h TYR 107 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 36.73 36.96 1x99 h TYR 107 CO -0.00 0.43 -0.78 -0.24 -0.00 0.00 0.00 178.16 177.57 1x99 h VAL 108 N 0.90 1.35 -0.61 -0.90 3.04 -1.81 -2.61 116.25 115.62 1x99 h VAL 108 Ca 0.41 -2.13 0.05 0.00 -1.01 0.00 0.00 66.70 64.01 1x99 h VAL 108 Cb 0.32 2.12 -0.05 0.00 -2.01 0.00 0.00 31.29 31.67 1x99 h VAL 108 CO -0.23 0.65 0.34 -0.09 -1.01 0.00 0.00 177.57 177.24 1x99 h ARG 109 N 0.35 0.63 0.00 4.17 2.43 -1.44 -2.42 114.38 118.09 1x99 h ARG 109 Ca -0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1x99 h ARG 109 Cb 1.38 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1x99 h ARG 109 CO 0.14 0.42 -0.01 0.93 -1.51 0.00 0.00 179.97 179.93 1x99 h GLU 110 N 0.65 0.00 0.00 0.20 5.08 -0.93 -1.92 114.58 117.67 1x99 h GLU 110 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1x99 h GLU 110 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x99 h GLU 110 CO -0.15 0.01 0.00 0.87 -1.00 0.00 0.00 179.01 178.74 1x99 h LYS 111 N 0.00 0.00 -6.04 2.33 1.57 -1.06 -3.47 116.57 109.89 1x99 h LYS 111 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 1x99 h LYS 111 Cb 0.38 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.76 1x99 h LYS 111 CO 0.00 0.00 -0.83 1.04 -0.57 0.00 0.00 179.45 179.09 1x99 n GLN 112 N -2.88 -4.74 -2.53 3.15 6.02 -0.72 -4.89 117.38 110.78 1x99 n GLN 112 Ca 0.01 0.64 -0.41 0.00 -0.01 0.00 0.00 57.00 57.23 1x99 n GLN 112 Cb 0.31 -5.20 -0.04 0.00 1.02 0.00 0.00 30.24 26.33 1x99 n GLN 112 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1x99 s LEU 113 N -6.59 4.53 0.00 1.08 1.43 -1.23 -4.70 118.68 113.20 1x99 s LEU 113 Ca 0.04 2.13 0.26 0.00 -1.03 0.00 0.00 54.13 55.53 1x99 s LEU 113 Cb -0.01 -3.61 0.58 0.00 0.03 0.00 0.00 46.19 43.17 1x99 s LEU 113 CO 0.81 -0.14 1.46 0.00 0.23 0.00 0.00 176.35 178.71 1x99 n ALA 114 N 1.82 2.96 -3.46 4.21 0.00 -1.26 -3.38 120.51 121.40 1x99 n ALA 114 Ca 0.01 -0.51 -0.17 0.00 0.00 0.00 0.00 53.44 52.77 1x99 n ALA 114 Cb 0.46 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1x99 n ALA 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x99 s GLU 115 N -2.29 1.01 -0.11 0.00 4.04 -1.26 -1.24 118.70 118.85 1x99 s GLU 115 Ca 0.27 0.12 -0.11 0.00 0.04 0.00 0.00 54.97 55.29 1x99 s GLU 115 Cb 0.20 0.47 0.03 0.00 0.02 0.00 0.00 34.13 34.85 1x99 s GLU 115 CO 0.45 -0.32 0.31 -0.47 -1.84 0.00 0.00 175.26 173.39 1x99 s TYR 116 N -1.41 -0.32 -0.02 4.83 5.04 0.02 -4.99 117.35 120.50 1x99 s TYR 116 Ca -0.10 0.77 -0.01 0.00 -2.44 0.00 0.00 57.07 55.28 1x99 s TYR 116 Cb -0.01 0.11 0.01 0.00 0.35 0.00 0.00 41.96 42.43 1x99 s TYR 116 CO 0.07 -0.19 0.05 0.45 -1.34 0.00 0.00 175.55 174.59 1x99 s SER 117 N -0.02 -0.04 -0.04 4.32 0.15 -1.26 -0.71 113.70 116.09 1x99 s SER 117 Ca -0.02 0.11 -0.17 0.00 0.70 0.00 0.00 55.95 56.57 1x99 s SER 117 Cb -0.03 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.39 1x99 s SER 117 CO 0.01 -0.05 0.37 0.54 1.20 0.00 0.00 173.24 175.31 1x99 s VAL 118 N 0.31 0.04 -0.17 4.45 0.11 -0.58 -5.01 120.40 119.55 1x99 s VAL 118 Ca -0.02 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.67 1x99 s VAL 118 Cb -0.04 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.15 1x99 s VAL 118 CO -0.01 -0.18 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.62 1x99 s THR 119 N -1.04 3.37 0.91 5.04 2.01 -1.26 -0.53 115.64 124.15 1x99 s THR 119 Ca -0.11 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 1x99 s THR 119 Cb -0.04 -2.48 0.14 0.00 0.01 0.00 0.00 72.50 70.13 1x99 s THR 119 CO 0.04 0.47 1.09 -0.94 -0.69 0.00 0.00 174.62 174.60 1x99 s SER 120 N 0.84 3.27 0.56 3.53 1.04 0.59 -4.87 113.70 118.65 1x99 s SER 120 Ca -0.02 1.59 0.24 0.00 0.48 0.00 0.00 55.95 58.24 1x99 s SER 120 Cb -0.15 -2.25 1.57 0.00 0.10 0.00 0.00 66.02 65.29 1x99 s SER 120 CO 0.01 -2.78 2.21 0.00 0.98 0.00 0.00 173.24 173.66 1x99 h ALA 121 N -1.65 1.75 -0.51 5.32 0.00 -1.96 -0.45 119.26 121.76 1x99 h ALA 121 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1x99 h ALA 121 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1x99 h ALA 121 CO 0.53 -0.01 0.00 0.44 0.00 0.00 0.00 179.25 180.20 1x99 n ILE 122 N -4.16 0.68 -0.12 0.00 -5.35 -1.26 -4.95 119.36 104.19 1x99 n ILE 122 Ca -0.03 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.74 1x99 n ILE 122 Cb 0.09 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1x99 n ILE 122 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x99 n GLY 123 N 1.37 0.92 3.64 3.28 0.00 -0.18 -5.06 105.19 109.16 1x99 n GLY 123 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1x99 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x99 s THR 124 N -2.01 4.92 0.01 2.61 2.01 -1.26 -4.79 115.64 117.12 1x99 s THR 124 Ca 0.00 1.38 -0.19 0.00 0.31 0.00 0.00 61.69 63.19 1x99 s THR 124 Cb 0.00 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 1x99 s THR 124 CO 0.00 0.00 0.54 -0.75 -0.69 0.00 0.00 174.62 173.72 1x99 s LYS 125 N 2.49 4.21 -0.06 4.92 2.20 -0.35 -0.30 119.74 132.85 1x99 s LYS 125 Ca 0.32 0.64 0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1x99 s LYS 125 Cb -0.16 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1x99 s LYS 125 CO 0.09 0.49 -0.10 0.08 -0.36 0.00 0.00 175.35 175.55 1x99 s VAL 126 N -0.56 0.97 -0.02 4.02 1.01 0.31 -0.83 120.40 125.30 1x99 s VAL 126 Ca 0.28 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1x99 s VAL 126 Cb -0.18 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1x99 s VAL 126 CO 0.16 0.32 -0.19 -1.61 0.00 0.00 0.00 175.10 173.78 1x99 s GLU 127 N 0.69 1.61 -0.15 2.72 2.02 -0.16 -1.52 118.70 123.92 1x99 s GLU 127 Ca -0.13 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.19 1x99 s GLU 127 Cb -0.15 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.55 1x99 s GLU 127 CO 0.03 0.37 -0.14 0.08 0.02 0.00 0.00 175.26 175.62 1x99 s VAL 128 N -0.34 2.85 -0.11 2.63 1.01 0.11 -0.47 120.40 126.08 1x99 s VAL 128 Ca 0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1x99 s VAL 128 Cb -0.08 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.13 1x99 s VAL 128 CO -0.00 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 174.93 1x99 s VAL 129 N 0.65 0.45 -0.02 2.92 1.01 -0.26 -0.80 120.40 124.35 1x99 s VAL 129 Ca -0.07 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1x99 s VAL 129 Cb -0.16 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1x99 s VAL 129 CO 0.02 0.12 1.23 -0.31 0.00 0.00 0.00 175.10 176.16 1x99 s TYR 130 N 1.93 3.19 -0.13 5.22 1.51 -0.37 -0.81 117.35 127.90 1x99 s TYR 130 Ca 0.03 1.18 0.19 0.00 -1.01 0.00 0.00 57.07 57.45 1x99 s TYR 130 Cb -0.14 -3.46 -0.22 0.00 -0.11 0.00 0.00 41.96 38.04 1x99 s TYR 130 CO -0.06 -1.47 0.51 0.25 -1.11 0.00 0.00 175.55 173.67 1x99 n THR 131 N 4.47 0.95 -4.01 -0.71 -2.24 0.43 -4.61 114.28 108.56 1x99 n THR 131 Ca 0.11 -0.69 -0.31 0.00 -2.27 0.00 0.00 64.05 60.88 1x99 n THR 131 Cb 0.46 -0.46 -0.15 0.00 -2.10 0.00 0.00 70.33 68.07 1x99 n THR 131 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1x99 s VAL 132 N -2.95 2.00 -1.50 2.28 1.01 -0.84 -4.95 120.40 115.44 1x99 s VAL 132 Ca -0.06 -1.74 0.13 0.00 0.00 0.00 0.00 61.98 60.31 1x99 s VAL 132 Cb 0.09 -2.26 0.17 0.00 0.00 0.00 0.00 36.38 34.38 1x99 s VAL 132 CO 0.84 -0.24 1.01 0.00 0.00 0.00 0.00 175.10 176.71 1x99 n ALA 133 N 4.45 2.41 -2.42 5.51 0.00 -1.26 -1.92 120.51 127.28 1x99 n ALA 133 Ca -0.08 -0.75 -0.15 0.00 0.00 0.00 0.00 53.44 52.47 1x99 n ALA 133 Cb 0.42 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.31 1x99 n ALA 133 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1x99 s GLU 134 N -1.07 0.95 1.22 0.00 1.03 -1.26 -4.67 118.70 114.90 1x99 s GLU 134 Ca 0.18 -1.26 0.00 0.00 0.03 0.00 0.00 54.97 53.92 1x99 s GLU 134 Cb 0.12 -0.65 0.00 0.00 -0.80 0.00 0.00 34.13 32.80 1x99 s GLU 134 CO 0.17 0.10 0.00 0.41 -1.33 0.00 0.00 175.26 174.61 1x99 n GLY 135 N 0.34 -1.70 0.10 -3.83 0.00 -1.26 -4.61 105.19 94.22 1x99 n GLY 135 Ca -0.14 -1.55 0.09 0.00 0.00 0.00 0.00 46.02 44.41 1x99 n GLY 135 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x99 n ASN 136 N 0.13 1.08 -3.88 1.61 3.02 -1.26 -4.65 115.26 111.31 1x99 n ASN 136 Ca 0.00 -1.04 -0.28 0.00 -0.03 0.00 0.00 54.58 53.23 1x99 n ASN 136 Cb 0.00 0.88 -0.12 0.00 -0.61 0.00 0.00 39.78 39.93 1x99 n ASN 136 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1x99 s ASN 137 N -2.58 4.70 0.31 6.41 2.47 -1.26 -1.00 114.94 123.99 1x99 s ASN 137 Ca 0.09 -3.84 -0.09 0.00 0.42 0.00 0.00 52.86 49.44 1x99 s ASN 137 Cb 0.14 -1.59 -0.07 0.00 -1.45 0.00 0.00 41.25 38.29 1x99 s ASN 137 CO 0.68 -0.09 0.64 -0.76 -3.72 0.00 0.00 177.10 173.85 1x99 s LEU 138 N -1.41 4.02 -0.01 3.21 1.43 -0.03 -4.94 118.68 120.95 1x99 s LEU 138 Ca 0.25 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1x99 s LEU 138 Cb -0.04 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.41 1x99 s LEU 138 CO -0.17 -0.22 -0.01 -1.61 0.23 0.00 0.00 176.35 174.57 1x99 s GLU 139 N -3.37 0.14 0.02 1.70 2.02 -0.81 -1.12 118.70 117.29 1x99 s GLU 139 Ca 0.48 -0.01 -0.05 0.00 0.02 0.00 0.00 54.97 55.41 1x99 s GLU 139 Cb -0.11 -0.20 -0.01 0.00 0.10 0.00 0.00 34.13 33.91 1x99 s GLU 139 CO 0.26 -0.02 0.09 0.00 0.02 0.00 0.00 175.26 175.62 1x99 s ALA 140 N 0.27 -0.15 -0.12 5.21 0.00 -0.22 -0.43 121.76 126.32 1x99 s ALA 140 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 1x99 s ALA 140 Cb -0.04 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1x99 s ALA 140 CO -0.01 -0.24 0.20 -0.80 0.00 0.00 0.00 175.76 174.92 1x99 s ASN 141 N -1.67 6.43 -0.23 0.00 0.01 0.01 -2.03 114.94 117.47 1x99 s ASN 141 Ca -0.12 0.51 -0.06 0.00 -0.71 0.00 0.00 52.86 52.49 1x99 s ASN 141 Cb -0.06 -2.12 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 1x99 s ASN 141 CO -0.01 0.31 0.03 -0.69 -1.51 0.00 0.00 177.10 175.23 1x99 s VAL 142 N -0.58 4.03 -0.16 1.60 1.01 -0.15 -1.10 120.40 125.06 1x99 s VAL 142 Ca 0.15 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1x99 s VAL 142 Cb -0.13 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.41 1x99 s VAL 142 CO 0.04 0.38 -0.16 -0.63 0.00 0.00 0.00 175.10 174.74 1x99 s ILE 143 N 1.43 1.71 -0.17 2.22 1.01 0.38 -0.38 121.20 127.40 1x99 s ILE 143 Ca 0.05 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1x99 s ILE 143 Cb -0.15 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1x99 s ILE 143 CO 0.02 0.48 0.15 -0.36 0.00 0.00 0.00 174.94 175.22 1x99 s PHE 144 N 1.40 3.48 0.00 3.97 0.40 0.18 -0.99 117.98 126.43 1x99 s PHE 144 Ca 0.04 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.80 1x99 s PHE 144 Cb -0.13 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.31 1x99 s PHE 144 CO -0.11 0.45 0.00 -1.13 0.70 0.00 0.00 175.22 175.13