#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gbl s ASN 15 N 0.00 6.90 -0.37 0.00 -0.87 -1.26 -1.55 114.94 117.79 1gbl s ASN 15 Ca 0.00 1.08 -0.13 0.00 -1.57 0.00 0.00 52.86 52.24 1gbl s ASN 15 Cb 0.00 -2.37 0.01 0.00 -0.02 0.00 0.00 41.25 38.86 1gbl s ASN 15 CO 0.00 -0.06 0.24 -0.63 -2.57 0.00 0.00 177.10 174.08 1gbl s ILE 16 N 0.66 5.04 -0.01 0.60 -1.09 0.18 -4.94 121.20 121.64 1gbl s ILE 16 Ca 0.34 -0.53 0.06 0.00 -2.23 0.00 0.00 60.65 58.29 1gbl s ILE 16 Cb -0.17 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 1gbl s ILE 16 CO 0.16 -0.15 -0.20 -0.69 -1.23 0.00 0.00 174.94 172.83 1gbl s VAL 17 N 1.66 1.54 0.30 2.92 1.01 -1.26 -2.19 120.40 124.38 1gbl s VAL 17 Ca 0.05 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1gbl s VAL 17 Cb -0.18 -1.29 -0.11 0.00 0.00 0.00 0.00 36.38 34.79 1gbl s VAL 17 CO 0.09 0.39 1.59 -0.83 0.00 0.00 0.00 175.10 176.34 1gbl s GLY 18 N -0.57 2.19 0.00 4.51 0.00 0.28 -3.27 107.32 110.46 1gbl s GLY 18 Ca 0.07 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.37 1gbl s GLY 18 CO -0.00 2.53 0.00 0.61 0.00 0.00 0.00 173.10 176.24 1gbl n GLY 19 N 2.01 2.47 3.87 0.20 0.00 0.56 -0.75 105.19 113.55 1gbl n GLY 19 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1gbl n GLY 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gbl s ILE 31 N -2.57 4.71 0.32 -0.61 -4.36 -1.20 -2.54 121.20 114.94 1gbl s ILE 31 Ca 0.00 0.84 -0.28 0.00 -0.26 0.00 0.00 60.65 60.95 1gbl s ILE 31 Cb 0.00 -3.84 -0.09 0.00 1.25 0.00 0.00 42.46 39.77 1gbl s ILE 31 CO 0.00 -1.03 1.08 -0.70 0.24 0.00 0.00 174.94 174.53 1gbl s GLU 32 N -4.93 4.49 0.05 0.37 2.12 -1.26 -0.76 118.70 118.77 1gbl s GLU 32 Ca 0.55 1.71 -0.04 0.00 0.36 0.00 0.00 54.97 57.55 1gbl s GLU 32 Cb -0.11 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 1gbl s GLU 32 CO 0.49 0.10 0.05 1.52 -0.54 0.00 0.00 175.26 176.88 1gbl s TYR 33 N -1.32 0.31 0.21 5.30 1.13 -0.52 -4.71 117.35 117.75 1gbl s TYR 33 Ca 0.49 -0.71 0.06 0.00 -1.41 0.00 0.00 57.07 55.50 1gbl s TYR 33 Cb -0.29 -0.22 -0.04 0.00 -1.10 0.00 0.00 41.96 40.31 1gbl s TYR 33 CO 0.37 -0.37 0.14 -1.54 -2.51 0.00 0.00 175.55 171.64 1gbl s SER 34 N -2.39 5.36 -0.21 -0.18 1.04 -0.43 -1.40 113.70 115.50 1gbl s SER 34 Ca -0.01 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.18 1gbl s SER 34 Cb 0.02 -1.33 0.04 0.00 0.10 0.00 0.00 66.02 64.84 1gbl s SER 34 CO -0.07 0.02 -0.14 -0.63 0.98 0.00 0.00 173.24 173.41 1gbl s ILE 35 N -1.95 1.92 -1.56 -1.02 1.09 -0.37 -1.36 121.20 117.96 1gbl s ILE 35 Ca 0.31 -1.15 -0.12 0.00 -1.10 0.00 0.00 60.65 58.59 1gbl s ILE 35 Cb -0.09 -1.91 0.09 0.00 -1.06 0.00 0.00 42.46 39.49 1gbl s ILE 35 CO 0.23 0.24 0.77 0.59 -0.10 0.00 0.00 174.94 176.67 1gbl n ASN 36 N 4.59 -2.98 -2.05 3.58 3.02 0.09 -1.63 115.26 119.89 1gbl n ASN 36 Ca -0.17 -0.92 -0.15 0.00 -0.03 0.00 0.00 54.58 53.31 1gbl n ASN 36 Cb 0.46 -3.29 -0.03 0.00 -0.61 0.00 0.00 39.78 36.32 1gbl n ASN 36 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1gbl n ASN 38 N -2.82 -4.41 0.00 6.41 3.02 -1.26 -4.80 115.26 111.40 1gbl n ASN 38 Ca -0.05 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1gbl n ASN 38 Cb 0.56 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 1gbl n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gbl n ALA 39 N -1.03 2.29 -1.37 5.41 0.00 -0.65 -5.12 120.51 120.05 1gbl n ALA 39 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.96 1gbl n ALA 39 Cb 0.59 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.13 1gbl n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1gbl s SER 40 N -0.55 4.42 -0.02 0.00 0.01 -1.16 -4.80 113.70 111.60 1gbl s SER 40 Ca 0.00 1.58 0.06 0.00 1.31 0.00 0.00 55.95 58.90 1gbl s SER 40 Cb 0.00 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 1gbl s SER 40 CO 0.00 -2.05 -0.21 -0.76 0.41 0.00 0.00 173.24 170.63 1gbl s LEU 41 N -5.89 2.03 0.00 2.44 1.43 -1.26 -1.23 118.68 116.20 1gbl s LEU 41 Ca 0.61 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1gbl s LEU 41 Cb -0.16 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 1gbl s LEU 41 CO 0.56 0.25 0.24 0.00 0.23 0.00 0.00 176.35 177.63 1gbl s SER 43 N -2.61 3.61 0.24 0.00 0.01 -0.02 -1.44 113.70 113.49 1gbl s SER 43 Ca 0.26 -0.48 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 1gbl s SER 43 Cb 0.01 -0.51 -0.10 0.00 0.21 0.00 0.00 66.02 65.62 1gbl s SER 43 CO 0.18 0.26 1.49 -0.69 0.41 0.00 0.00 173.24 174.89 1gbl s VAL 44 N -0.89 2.55 0.00 3.43 1.01 0.06 -3.08 120.40 123.47 1gbl s VAL 44 Ca 0.14 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1gbl s VAL 44 Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1gbl s VAL 44 CO 0.04 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1gbl n GLY 44 N 2.44 0.60 3.16 4.51 0.00 -0.19 -0.32 105.19 115.39 1gbl n GLY 44 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1gbl n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gbl s PHE 45 N -0.29 -0.26 0.18 1.61 0.08 -1.10 -4.14 117.98 114.05 1gbl s PHE 45 Ca 0.00 0.63 -0.31 0.00 0.12 0.00 0.00 56.93 57.36 1gbl s PHE 45 Cb 0.00 0.09 -0.10 0.00 -0.57 0.00 0.00 43.02 42.44 1gbl s PHE 45 CO 0.00 -0.18 1.57 -1.12 -0.10 0.00 0.00 175.22 175.40 1gbl s SER 46 N -0.10 6.57 0.06 1.36 0.01 -1.26 -1.01 113.70 119.33 1gbl s SER 46 Ca -0.02 2.65 -0.02 0.00 1.31 0.00 0.00 55.95 59.87 1gbl s SER 46 Cb -0.03 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 1gbl s SER 46 CO 0.01 -0.83 -0.01 0.68 0.41 0.00 0.00 173.24 173.50 1gbl s VAL 47 N 1.04 0.21 0.16 3.43 -7.23 -0.37 -2.04 120.40 115.61 1gbl s VAL 47 Ca 0.70 -1.75 0.09 0.00 -1.81 0.00 0.00 61.98 59.21 1gbl s VAL 47 Cb -0.44 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1gbl s VAL 47 CO 0.32 -0.95 -0.20 0.42 -0.31 0.00 0.00 175.10 174.38 1gbl s THR 48 N -3.92 1.93 -0.40 5.32 -4.23 0.13 -1.59 115.64 112.88 1gbl s THR 48 Ca 0.07 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 1gbl s THR 48 Cb 0.08 -1.88 0.14 0.00 1.34 0.00 0.00 72.50 72.18 1gbl s THR 48 CO -0.10 -0.25 0.24 -0.60 -0.54 0.00 0.00 174.62 173.38 1gbl s ARG 48 N -2.68 0.94 7.12 3.99 3.00 -0.22 -0.11 118.95 130.99 1gbl s ARG 48 Ca 0.16 -1.74 0.00 0.00 -1.00 0.00 0.00 55.73 53.15 1gbl s ARG 48 Cb -0.07 -1.80 0.00 0.00 0.00 0.00 0.00 34.95 33.09 1gbl s ARG 48 CO 0.07 -1.21 0.00 0.41 0.00 0.00 0.00 175.30 174.57 1gbl n GLY 48 N 3.66 3.03 0.00 8.12 0.00 -1.26 -1.22 105.19 117.52 1gbl n GLY 48 Ca 0.13 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1gbl n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gbl n ALA 48 N 10.85 2.30 -2.52 4.61 0.00 -1.26 -4.79 120.51 129.71 1gbl n ALA 48 Ca 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 1gbl n ALA 48 Cb 0.00 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 1gbl n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1gbl s THR 49 N -2.31 4.97 0.17 0.00 2.01 -0.36 -5.06 115.64 115.06 1gbl s THR 49 Ca 0.29 1.12 -0.14 0.00 0.31 0.00 0.00 61.69 63.27 1gbl s THR 49 Cb 0.16 -3.87 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 1gbl s THR 49 CO 0.33 0.44 0.57 -0.54 -0.69 0.00 0.00 174.62 174.72 1gbl s LYS 50 N -0.24 3.98 0.30 4.92 1.02 -1.26 -1.06 119.74 127.39 1gbl s LYS 50 Ca 0.29 0.50 -0.18 0.00 0.02 0.00 0.00 55.97 56.59 1gbl s LYS 50 Cb -0.17 -2.88 0.07 0.00 -0.52 0.00 0.00 37.83 34.33 1gbl s LYS 50 CO 0.15 0.44 0.91 0.20 -0.92 0.00 0.00 175.35 176.14 1gbl s GLY 51 N -1.81 0.27 0.02 -3.33 0.00 -0.62 -0.67 107.32 101.18 1gbl s GLY 51 Ca 0.40 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1gbl s GLY 51 CO 0.19 1.07 -0.04 -0.11 0.00 0.00 0.00 173.10 174.21 1gbl s PHE 52 N -2.17 0.32 0.15 1.90 -0.12 -0.91 -1.23 117.98 115.91 1gbl s PHE 52 Ca 0.19 -0.45 -0.15 0.00 -0.05 0.00 0.00 56.93 56.48 1gbl s PHE 52 Cb -0.04 -0.21 -0.07 0.00 -0.63 0.00 0.00 43.02 42.07 1gbl s PHE 52 CO 0.09 -0.14 0.56 0.14 -0.05 0.00 0.00 175.22 175.81 1gbl s VAL 53 N -1.22 4.84 0.03 -2.49 -7.23 -0.18 -1.04 120.40 113.10 1gbl s VAL 53 Ca -0.12 0.86 -0.00 0.00 -1.81 0.00 0.00 61.98 60.90 1gbl s VAL 53 Cb -0.09 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.11 1gbl s VAL 53 CO -0.01 0.25 0.04 1.07 -0.31 0.00 0.00 175.10 176.14 1gbl n THR 54 N 0.82 0.00 -2.91 5.32 5.66 -0.73 -1.02 114.28 121.42 1gbl n THR 54 Ca -0.05 -0.11 -0.36 0.00 -3.05 0.00 0.00 64.05 60.47 1gbl n THR 54 Cb 0.52 0.08 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 1gbl n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gbl s ALA 55 N -1.48 3.29 0.26 1.79 0.00 -1.26 -1.56 121.76 122.79 1gbl s ALA 55 Ca 0.02 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 1gbl s ALA 55 Cb -0.00 -3.03 0.34 0.00 0.00 0.00 0.00 23.12 20.42 1gbl s ALA 55 CO 0.01 0.24 1.72 0.78 0.00 0.00 0.00 175.76 178.51 1gbl h GLY 56 N 3.21 0.73 1.51 0.00 0.00 -1.58 -2.34 103.07 104.60 1gbl h GLY 56 Ca -0.47 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1gbl h GLY 56 CO 0.65 0.50 0.00 -2.39 0.00 0.00 0.00 176.54 175.30 1gbl n HIS 57 N -4.16 0.00 0.11 5.60 1.44 -1.26 -3.24 115.22 113.71 1gbl n HIS 57 Ca 0.01 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.70 1gbl n HIS 57 Cb 0.36 -0.25 0.06 0.00 0.12 0.00 0.00 29.99 30.28 1gbl n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gbl s GLY 59 N -4.54 0.12 0.39 0.00 0.00 -1.20 -4.87 107.32 97.22 1gbl s GLY 59 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.30 1gbl s GLY 59 CO 0.77 -0.24 0.40 -0.51 0.00 0.00 0.00 173.10 173.52 1gbl s THR 59 N -3.72 3.06 0.30 0.90 -4.23 -1.26 -4.94 115.64 105.75 1gbl s THR 59 Ca 0.14 -1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 59.10 1gbl s THR 59 Cb -0.05 -3.08 -0.11 0.00 1.34 0.00 0.00 72.50 70.60 1gbl s THR 59 CO 0.08 -0.06 1.60 -0.69 -0.54 0.00 0.00 174.62 175.02 1gbl s VAL 59 N -2.38 2.02 0.00 2.29 1.01 -1.26 -1.32 120.40 120.76 1gbl s VAL 59 Ca 0.47 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1gbl s VAL 59 Cb -0.06 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1gbl s VAL 59 CO 0.29 0.00 0.00 0.59 0.00 0.00 0.00 175.10 175.98 1gbl n ASN 60 N 2.09 -1.51 -4.77 3.32 5.03 0.16 -4.92 115.26 114.66 1gbl n ASN 60 Ca 0.08 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.13 1gbl n ASN 60 Cb 0.37 -0.93 0.01 0.00 -1.02 0.00 0.00 39.78 38.21 1gbl n ASN 60 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1gbl s ALA 61 N -2.61 3.33 -0.11 5.41 0.00 -0.43 -4.67 121.76 122.68 1gbl s ALA 61 Ca 0.00 1.51 -0.23 0.00 0.00 0.00 0.00 51.96 53.24 1gbl s ALA 61 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1gbl s ALA 61 CO 0.00 -1.18 0.70 0.99 0.00 0.00 0.00 175.76 176.27 1gbl s THR 62 N -1.18 5.02 -0.14 0.00 2.01 -1.26 -1.02 115.64 119.08 1gbl s THR 62 Ca 0.59 1.41 -0.05 0.00 0.31 0.00 0.00 61.69 63.95 1gbl s THR 62 Cb -0.45 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 1gbl s THR 62 CO 0.59 0.19 0.02 0.00 -0.69 0.00 0.00 174.62 174.73 1gbl s ALA 64 N 1.20 3.30 0.02 7.40 0.00 -0.34 -0.73 121.76 132.62 1gbl s ALA 64 Ca 0.36 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.62 1gbl s ALA 64 Cb -0.17 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 1gbl s ALA 64 CO 0.16 0.35 -0.22 1.03 0.00 0.00 0.00 175.76 177.08 1gbl s ARG 65 N -0.13 1.60 -0.14 0.00 0.52 -0.46 -1.30 118.95 119.03 1gbl s ARG 65 Ca 0.05 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1gbl s ARG 65 Cb -0.12 -1.65 0.02 0.00 0.52 0.00 0.00 34.95 33.72 1gbl s ARG 65 CO 0.02 0.44 -0.12 0.42 0.02 0.00 0.00 175.30 176.08 1gbl s ILE 66 N -0.68 1.37 -1.18 1.52 1.01 0.78 -1.31 121.20 122.71 1gbl s ILE 66 Ca 0.08 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 1gbl s ILE 66 Cb -0.09 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.07 1gbl s ILE 66 CO 0.01 0.42 1.03 0.61 0.00 0.00 0.00 174.94 177.01 1gbl n GLY 67 N 4.84 -0.36 2.73 6.18 0.00 -1.26 -1.95 105.19 115.37 1gbl n GLY 67 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1gbl n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gbl n GLY 81 N -1.79 2.32 3.69 -0.02 0.00 -1.26 -5.03 105.19 103.11 1gbl n GLY 81 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1gbl n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gbl s ALA 82 N -3.12 3.32 0.03 4.61 0.00 -0.82 -5.04 121.76 120.74 1gbl s ALA 82 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1gbl s ALA 82 Cb 0.00 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 21.65 1gbl s ALA 82 CO 0.00 0.64 1.42 0.08 0.00 0.00 0.00 175.76 177.89 1gbl s VAL 83 N -1.05 3.57 -0.01 0.00 1.01 -1.26 -0.15 120.40 122.50 1gbl s VAL 83 Ca 0.18 1.01 0.04 0.00 0.00 0.00 0.00 61.98 63.21 1gbl s VAL 83 Cb -0.12 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1gbl s VAL 83 CO 0.09 0.02 0.07 1.33 0.00 0.00 0.00 175.10 176.60 1gbl n VAL 84 N 4.49 0.04 -3.59 2.92 0.24 -0.42 -4.89 118.33 117.12 1gbl n VAL 84 Ca 0.13 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1gbl n VAL 84 Cb 0.43 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1gbl n VAL 84 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gbl n GLY 85 N 2.38 -1.15 3.16 7.63 0.00 -1.22 -1.28 105.19 114.71 1gbl n GLY 85 Ca -0.02 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1gbl n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gbl s THR 87 N -3.00 0.63 0.04 2.61 -4.23 -0.56 -1.20 115.64 109.93 1gbl s THR 87 Ca 0.00 -1.90 -0.31 0.00 -1.18 0.00 0.00 61.69 58.30 1gbl s THR 87 Cb 0.00 -1.64 -0.07 0.00 1.34 0.00 0.00 72.50 72.13 1gbl s THR 87 CO 0.00 -0.88 1.53 -0.36 -0.54 0.00 0.00 174.62 174.37 1gbl s PHE 88 N -3.62 2.66 -0.12 3.99 0.40 -0.18 -0.80 117.98 120.31 1gbl s PHE 88 Ca 0.11 0.57 0.16 0.00 -0.60 0.00 0.00 56.93 57.17 1gbl s PHE 88 Cb 0.05 -3.82 -0.22 0.00 0.51 0.00 0.00 43.02 39.54 1gbl s PHE 88 CO -0.05 -3.19 0.47 0.00 0.70 0.00 0.00 175.22 173.15 1gbl n ALA 88 N 5.39 1.71 -3.55 5.36 0.00 -0.19 -0.67 120.51 128.56 1gbl n ALA 88 Ca 0.14 -0.90 -0.11 0.00 0.00 0.00 0.00 53.44 52.58 1gbl n ALA 88 Cb 0.42 -0.63 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 1gbl n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gbl s ALA 89 N -2.71 -1.88 0.14 0.00 0.00 -1.22 -4.88 121.76 111.21 1gbl s ALA 89 Ca -0.06 1.37 -0.22 0.00 0.00 0.00 0.00 51.96 53.04 1gbl s ALA 89 Cb 0.08 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1gbl s ALA 89 CO 0.83 -0.44 0.56 -0.98 0.00 0.00 0.00 175.76 175.73 1gbl s ARG 90 N -1.78 1.21 -0.06 0.00 1.04 -1.26 -2.30 118.95 115.81 1gbl s ARG 90 Ca -0.01 -0.48 -0.01 0.00 -1.04 0.00 0.00 55.73 54.19 1gbl s ARG 90 Cb -0.01 0.56 0.03 0.00 -2.04 0.00 0.00 34.95 33.49 1gbl s ARG 90 CO -0.01 -0.51 0.00 0.08 -0.04 0.00 0.00 175.30 174.82 1gbl s VAL 91 N -3.59 0.32 -0.29 4.99 1.01 -0.22 -4.98 120.40 117.63 1gbl s VAL 91 Ca 0.01 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1gbl s VAL 91 Cb -0.00 -0.46 0.13 0.00 0.00 0.00 0.00 36.38 36.04 1gbl s VAL 91 CO -0.11 0.23 0.93 0.12 0.00 0.00 0.00 175.10 176.27 1gbl s PHE 94 N 1.75 -0.65 0.00 5.22 5.36 -1.24 -1.55 117.98 126.87 1gbl s PHE 94 Ca 0.01 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1gbl s PHE 94 Cb -0.13 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 1gbl s PHE 94 CO -0.04 -0.32 0.00 -0.35 -1.46 0.00 0.00 175.22 173.05 1gbl n PRO 95 N 3.62 2.40 0.00 10.12 -0.04 -1.26 -4.97 135.00 144.88 1gbl n PRO 95 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1gbl n PRO 95 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1gbl n PRO 95 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gbl n GLY 100 N 4.86 2.05 3.73 0.55 0.00 0.56 -4.77 105.19 112.17 1gbl n GLY 100 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1gbl n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gbl s ASN 101 N 0.00 3.92 -0.39 1.61 0.01 -1.26 -0.60 114.94 118.23 1gbl s ASN 101 Ca 0.00 -1.68 0.03 0.00 -0.71 0.00 0.00 52.86 50.50 1gbl s ASN 101 Cb 0.00 0.58 0.16 0.00 0.41 0.00 0.00 41.25 42.40 1gbl s ASN 101 CO 0.00 -0.89 0.30 -0.62 -1.51 0.00 0.00 177.10 174.38 1gbl s ASP 102 N -3.84 1.89 0.03 -1.22 2.15 -1.20 -3.66 116.67 110.80 1gbl s ASP 102 Ca 0.07 -2.61 -0.12 0.00 0.43 0.00 0.00 52.55 50.33 1gbl s ASP 102 Cb 0.01 -0.29 0.01 0.00 -0.30 0.00 0.00 42.92 42.36 1gbl s ASP 102 CO 0.04 -0.22 0.25 0.00 -0.17 0.00 0.00 175.17 175.06 1gbl s ARG 103 N 0.55 0.70 0.17 4.34 1.70 -0.60 -3.48 118.95 122.34 1gbl s ARG 103 Ca 0.26 -0.48 -0.23 0.00 -0.47 0.00 0.00 55.73 54.81 1gbl s ARG 103 Cb -0.07 0.30 0.06 0.00 -0.57 0.00 0.00 34.95 34.67 1gbl s ARG 103 CO -0.11 -0.21 0.68 0.00 -1.08 0.00 0.00 175.30 174.59 1gbl s ALA 104 N -2.20 -1.53 0.00 7.88 0.00 -0.60 -1.05 121.76 124.26 1gbl s ALA 104 Ca -0.08 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 1gbl s ALA 104 Cb -0.02 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1gbl s ALA 104 CO -0.02 -0.85 0.01 1.67 0.00 0.00 0.00 175.76 176.58 1gbl s TRP 105 N -3.70 0.09 -0.22 0.00 1.48 -0.97 -1.77 118.94 113.84 1gbl s TRP 105 Ca 0.05 -0.18 -0.07 0.00 -1.06 0.00 0.00 56.10 54.84 1gbl s TRP 105 Cb -0.02 -0.07 -0.03 0.00 -1.16 0.00 0.00 33.47 32.19 1gbl s TRP 105 CO -0.07 -0.10 0.05 0.08 -4.06 0.00 0.00 176.95 172.86 1gbl s VAL 106 N -0.64 4.27 -0.17 -0.66 1.01 -0.21 -1.03 120.40 122.98 1gbl s VAL 106 Ca -0.07 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 1gbl s VAL 106 Cb -0.04 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1gbl s VAL 106 CO -0.00 0.39 0.63 -0.94 0.00 0.00 0.00 175.10 175.18 1gbl s SER 107 N 1.22 6.74 0.31 3.32 1.04 0.02 -2.15 113.70 124.21 1gbl s SER 107 Ca 0.04 0.90 -0.02 0.00 0.48 0.00 0.00 55.95 57.35 1gbl s SER 107 Cb -0.14 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 1gbl s SER 107 CO 0.03 -0.23 0.54 -0.76 0.98 0.00 0.00 173.24 173.80 1gbl s LEU 108 N 1.62 4.04 0.77 2.42 1.43 0.15 -1.50 118.68 127.62 1gbl s LEU 108 Ca 0.30 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1gbl s LEU 108 Cb -0.16 -3.42 0.05 0.00 0.03 0.00 0.00 46.19 42.70 1gbl s LEU 108 CO 0.12 -0.23 1.08 0.42 0.23 0.00 0.00 176.35 177.96 1gbl s THR 109 N -2.18 3.39 -0.52 5.49 -4.23 -0.40 -4.44 115.64 112.74 1gbl s THR 109 Ca 0.42 0.45 0.24 0.00 -1.18 0.00 0.00 61.69 61.62 1gbl s THR 109 Cb -0.10 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.89 1gbl s THR 109 CO 0.33 -0.59 1.72 -1.54 -0.54 0.00 0.00 174.62 174.00 1gbl n SER 110 N -3.42 0.67 0.10 3.99 3.41 -1.26 -2.08 113.62 115.03 1gbl n SER 110 Ca 0.08 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 1gbl n SER 110 Cb 0.54 -0.80 0.45 0.00 -0.26 0.00 0.00 64.21 64.15 1gbl n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gbl n ALA 111 N -1.77 1.95 -1.80 7.33 0.00 -1.26 -4.85 120.51 120.11 1gbl n ALA 111 Ca 0.03 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 1gbl n ALA 111 Cb 0.25 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 1gbl n ALA 111 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1gbl s GLN 112 N -3.18 3.94 -0.31 0.00 -1.52 -0.88 -4.45 119.66 113.26 1gbl s GLN 112 Ca 0.08 1.12 -0.03 0.00 -1.95 0.00 0.00 55.36 54.58 1gbl s GLN 112 Cb 0.11 -2.13 0.05 0.00 -0.22 0.00 0.00 33.01 30.82 1gbl s GLN 112 CO 0.47 -0.29 0.02 0.99 -0.25 0.00 0.00 175.29 176.23 1gbl s THR 113 N -2.33 3.11 0.18 -0.19 2.01 -0.60 -4.96 115.64 112.87 1gbl s THR 113 Ca 0.62 -1.34 -0.28 0.00 0.31 0.00 0.00 61.69 61.00 1gbl s THR 113 Cb -0.12 -2.78 -0.08 0.00 0.01 0.00 0.00 72.50 69.53 1gbl s THR 113 CO 0.23 -0.12 0.87 -0.76 -0.69 0.00 0.00 174.62 174.16 1gbl s LEU 114 N 1.28 4.59 0.01 4.42 1.43 -1.26 0.48 118.68 129.63 1gbl s LEU 114 Ca -0.05 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 54.85 1gbl s LEU 114 Cb -0.20 -3.47 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1gbl s LEU 114 CO -0.00 0.13 -0.06 -0.76 0.23 0.00 0.00 176.35 175.89 1gbl s LEU 119 N -0.90 2.10 0.00 1.79 1.43 -0.93 -4.89 118.68 117.28 1gbl s LEU 119 Ca 0.40 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1gbl s LEU 119 Cb -0.24 -0.21 -0.17 0.00 0.03 0.00 0.00 46.19 45.60 1gbl s LEU 119 CO 0.29 -0.04 2.60 -0.81 0.23 0.00 0.00 176.35 178.62 1gbl n PRO 120 N 2.43 1.35 -3.98 1.29 -0.04 -1.26 -4.53 135.00 130.25 1gbl n PRO 120 Ca -0.16 -0.64 -0.09 0.00 -0.04 0.00 0.00 63.50 62.57 1gbl n PRO 120 Cb 0.57 -1.78 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 1gbl n PRO 120 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1gbl s ARG 120 N 1.46 0.45 -0.06 0.54 0.52 -1.26 -0.81 118.95 119.80 1gbl s ARG 120 Ca 0.43 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.92 1gbl s ARG 120 Cb 0.20 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.84 1gbl s ARG 120 CO 0.00 -0.09 -0.18 0.08 0.02 0.00 0.00 175.30 175.13 1gbl s VAL 120 N -2.24 1.52 0.26 3.52 1.01 -0.44 -0.55 120.40 123.48 1gbl s VAL 120 Ca -0.08 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 1gbl s VAL 120 Cb -0.04 -1.32 -0.09 0.00 0.00 0.00 0.00 36.38 34.93 1gbl s VAL 120 CO -0.04 0.44 1.26 0.00 0.00 0.00 0.00 175.10 176.76 1gbl s ALA 120 N 0.20 3.48 -0.32 5.51 0.00 0.07 -0.97 121.76 129.73 1gbl s ALA 120 Ca -0.08 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 1gbl s ALA 120 Cb -0.14 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.66 1gbl s ALA 120 CO 0.04 -0.48 0.16 1.21 0.00 0.00 0.00 175.76 176.69 1gbl s ASN 120 N -0.23 3.36 0.00 0.00 2.47 -1.26 -4.81 114.94 114.48 1gbl s ASN 120 Ca 0.51 -1.70 0.00 0.00 0.42 0.00 0.00 52.86 52.09 1gbl s ASN 120 Cb -0.36 -0.43 0.00 0.00 -1.45 0.00 0.00 41.25 39.01 1gbl s ASN 120 CO 0.44 -0.38 0.00 0.61 -3.72 0.00 0.00 177.10 174.05 1gbl n GLY 120 N 4.71 -0.40 2.59 1.21 0.00 -1.26 -4.26 105.19 107.77 1gbl n GLY 120 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1gbl n GLY 120 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gbl n SER 120 N 0.00 0.00 -3.91 1.61 7.64 -1.26 -5.13 113.62 112.58 1gbl n SER 120 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1gbl n SER 120 Cb 0.00 -0.16 -0.11 0.00 -1.01 0.00 0.00 64.21 62.92 1gbl n SER 120 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1gbl s PHE 120 N -0.33 0.10 -0.16 1.43 0.08 -1.26 -4.59 117.98 113.25 1gbl s PHE 120 Ca 0.00 -0.21 -0.03 0.00 0.12 0.00 0.00 56.93 56.81 1gbl s PHE 120 Cb 0.00 -0.08 -0.03 0.00 -0.57 0.00 0.00 43.02 42.34 1gbl s PHE 120 CO 0.00 -0.19 -0.04 0.08 -0.10 0.00 0.00 175.22 174.97 1gbl s VAL 120 N -1.07 3.79 0.05 -0.44 1.01 -0.15 -4.88 120.40 118.71 1gbl s VAL 120 Ca -0.12 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 1gbl s VAL 120 Cb -0.07 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1gbl s VAL 120 CO 0.00 0.49 0.88 -0.89 0.00 0.00 0.00 175.10 175.58 1gbl s THR 120 N 0.45 4.72 -0.33 3.92 2.01 -1.26 -1.32 115.64 123.82 1gbl s THR 120 Ca -0.04 1.88 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 1gbl s THR 120 Cb -0.14 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.15 1gbl s THR 120 CO 0.03 0.28 1.06 -0.69 -0.69 0.00 0.00 174.62 174.62 1gbl s VAL 121 N 0.32 4.51 -0.13 3.82 1.01 0.01 -4.17 120.40 125.77 1gbl s VAL 121 Ca 0.45 1.68 0.16 0.00 0.00 0.00 0.00 61.98 64.27 1gbl s VAL 121 Cb -0.21 -4.41 -0.23 0.00 0.00 0.00 0.00 36.38 31.52 1gbl s VAL 121 CO 0.26 -0.50 0.15 0.54 0.00 0.00 0.00 175.10 175.55 1gbl n ARG 122 N 6.89 1.06 -3.14 2.72 5.12 0.72 -1.39 116.66 128.64 1gbl n ARG 122 Ca 0.12 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1gbl n ARG 122 Cb 0.47 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1gbl n ARG 122 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gbl n GLY 123 N 1.83 -0.74 2.60 -0.13 0.00 -1.14 -4.86 105.19 102.76 1gbl n GLY 123 Ca -0.21 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 1gbl n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gbl n SER 124 N 0.11 2.52 -4.71 1.61 3.41 -1.26 -0.83 113.62 114.46 1gbl n SER 124 Ca 0.00 -2.71 -0.42 0.00 -0.26 0.00 0.00 58.87 55.48 1gbl n SER 124 Cb 0.00 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1gbl n SER 124 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gbl s THR 125 N -3.97 2.55 -0.08 6.66 2.01 -1.26 -4.84 115.64 116.71 1gbl s THR 125 Ca 0.34 0.35 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 1gbl s THR 125 Cb 0.38 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1gbl s THR 125 CO -0.02 0.02 0.95 -0.70 -0.69 0.00 0.00 174.62 174.18 1gbl s GLU 129 N 1.41 4.45 0.53 4.92 2.12 -1.26 -4.69 118.70 126.18 1gbl s GLU 129 Ca 0.72 1.31 -0.11 0.00 0.36 0.00 0.00 54.97 57.25 1gbl s GLU 129 Cb -0.45 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.38 1gbl s GLU 129 CO 0.32 -0.20 0.92 0.00 -0.54 0.00 0.00 175.26 175.76 1gbl s ALA 130 N 1.61 3.20 0.59 6.30 0.00 -1.26 -5.09 121.76 127.11 1gbl s ALA 130 Ca 0.47 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.34 1gbl s ALA 130 Cb -0.19 -2.91 0.08 0.00 0.00 0.00 0.00 23.12 20.10 1gbl s ALA 130 CO 0.20 -0.41 0.81 0.00 0.00 0.00 0.00 175.76 176.36 1gbl s ALA 131 N -2.84 4.34 0.33 0.00 0.00 -1.26 -5.00 121.76 117.34 1gbl s ALA 131 Ca 0.53 -1.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.32 1gbl s ALA 131 Cb -0.10 -1.69 -0.10 0.00 0.00 0.00 0.00 23.12 21.23 1gbl s ALA 131 CO 0.44 -0.92 1.24 0.08 0.00 0.00 0.00 175.76 176.61 1gbl s VAL 132 N -2.75 2.93 0.00 0.00 1.01 -1.26 -1.89 120.40 118.44 1gbl s VAL 132 Ca 0.62 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1gbl s VAL 132 Cb -0.07 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1gbl s VAL 132 CO 0.39 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1gbl n GLY 133 N 0.86 3.05 3.77 4.51 0.00 0.11 -5.00 105.19 112.49 1gbl n GLY 133 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1gbl n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gbl s ALA 134 N -2.82 2.57 0.29 4.61 0.00 -0.79 -4.66 121.76 120.96 1gbl s ALA 134 Ca 0.00 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 1gbl s ALA 134 Cb 0.00 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 1gbl s ALA 134 CO 0.00 -1.05 0.88 0.00 0.00 0.00 0.00 175.76 175.59 1gbl s ALA 135 N -1.89 3.27 -0.03 0.00 0.00 -1.26 -1.15 121.76 120.70 1gbl s ALA 135 Ca 0.72 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 1gbl s ALA 135 Cb -0.25 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1gbl s ALA 135 CO 0.33 0.22 0.40 0.54 0.00 0.00 0.00 175.76 177.25 1gbl s VAL 136 N -1.59 0.04 0.25 0.00 0.11 0.11 -4.76 120.40 114.56 1gbl s VAL 136 Ca 0.48 -0.35 0.09 0.00 -2.93 0.00 0.00 61.98 59.27 1gbl s VAL 136 Cb -0.18 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 1gbl s VAL 136 CO 0.23 -0.19 -0.13 0.00 -3.33 0.00 0.00 175.10 171.68 1gbl s ARG 138 N -3.63 0.42 -0.02 0.00 1.70 0.11 -0.66 118.95 116.87 1gbl s ARG 138 Ca 0.27 -0.83 0.03 0.00 -0.47 0.00 0.00 55.73 54.72 1gbl s ARG 138 Cb -0.00 0.13 -0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1gbl s ARG 138 CO 0.11 -0.07 -0.10 0.45 -1.08 0.00 0.00 175.30 174.61 1gbl s SER 139 N -1.98 1.27 0.13 -2.89 0.15 -0.03 -1.28 113.70 109.07 1gbl s SER 139 Ca -0.08 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.12 1gbl s SER 139 Cb -0.04 -0.28 0.07 0.00 -1.71 0.00 0.00 66.02 64.06 1gbl s SER 139 CO -0.04 0.09 0.88 -0.83 1.20 0.00 0.00 173.24 174.54 1gbl s GLY 140 N 0.06 -0.30 0.00 9.45 0.00 -0.97 -2.87 107.32 112.69 1gbl s GLY 140 Ca -0.01 0.31 0.23 0.00 0.00 0.00 0.00 44.72 45.25 1gbl s GLY 140 CO 0.00 0.08 1.74 -0.96 0.00 0.00 0.00 173.10 173.97 1gbl n ARG 141 N -0.41 0.14 -0.11 2.90 -4.01 -1.05 -1.41 116.66 112.71 1gbl n ARG 141 Ca -0.07 0.09 -0.17 0.00 -1.04 0.00 0.00 57.85 56.66 1gbl n ARG 141 Cb 0.61 -1.50 -0.06 0.00 -3.04 0.00 0.00 32.46 28.47 1gbl n ARG 141 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 1gbl n THR 142 N -1.41 1.51 1.03 8.89 -1.04 -1.26 -4.65 114.28 117.35 1gbl n THR 142 Ca 0.08 -0.06 0.12 0.00 -2.04 0.00 0.00 64.05 62.15 1gbl n THR 142 Cb 0.23 -2.17 0.12 0.00 -1.82 0.00 0.00 70.33 66.69 1gbl n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1gbl n THR 143 N -4.38 0.00 -2.45 12.58 -2.24 -1.25 -5.01 114.28 111.52 1gbl n THR 143 Ca -0.30 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1gbl n THR 143 Cb 0.66 1.44 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 1gbl n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gbl n GLY 156 N 1.34 0.75 3.39 3.38 0.00 -0.50 -4.65 105.19 108.90 1gbl n GLY 156 Ca 0.14 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1gbl n GLY 156 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gbl s TYR 157 N 0.00 3.17 0.01 1.61 5.04 -1.26 -2.29 117.35 123.64 1gbl s TYR 157 Ca 0.00 -0.80 0.06 0.00 -2.44 0.00 0.00 57.07 53.89 1gbl s TYR 157 Cb 0.00 -2.32 -0.02 0.00 0.35 0.00 0.00 41.96 39.97 1gbl s TYR 157 CO 0.00 -0.53 -0.18 -0.65 -1.34 0.00 0.00 175.55 172.85 1gbl s GLN 158 N 1.56 1.34 0.26 4.97 -1.52 -0.41 -4.95 119.66 120.91 1gbl s GLN 158 Ca 0.03 -0.75 0.09 0.00 -1.95 0.00 0.00 55.36 52.78 1gbl s GLN 158 Cb -0.17 -1.36 -0.05 0.00 -0.22 0.00 0.00 33.01 31.20 1gbl s GLN 158 CO 0.05 0.36 -0.13 0.00 -0.25 0.00 0.00 175.29 175.31 1gbl n GLY 160 N -0.55 0.84 3.30 0.00 0.00 0.36 -4.33 105.19 104.81 1gbl n GLY 160 Ca -0.06 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 1gbl n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gbl s THR 161 N -1.65 1.32 -0.06 2.61 -4.23 -1.26 -0.72 115.64 111.66 1gbl s THR 161 Ca 0.00 -2.10 -0.30 0.00 -1.18 0.00 0.00 61.69 58.11 1gbl s THR 161 Cb 0.00 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 1gbl s THR 161 CO 0.00 -0.62 1.06 -0.63 -0.54 0.00 0.00 174.62 173.89 1gbl s ILE 162 N -3.23 4.62 -0.02 2.99 1.01 -0.30 -1.65 121.20 124.62 1gbl s ILE 162 Ca 0.21 1.90 0.10 0.00 0.00 0.00 0.00 60.65 62.86 1gbl s ILE 162 Cb 0.02 -4.22 -0.16 0.00 0.01 0.00 0.00 42.46 38.12 1gbl s ILE 162 CO 0.04 0.05 0.21 0.35 0.00 0.00 0.00 174.94 175.59 1gbl n THR 163 N 4.37 0.05 -3.58 2.92 -2.24 0.69 -0.71 114.28 115.79 1gbl n THR 163 Ca 0.09 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.53 1gbl n THR 163 Cb 0.48 0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 1gbl n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gbl s ALA 164 N -2.68 -1.96 0.21 6.98 0.00 -1.17 -4.92 121.76 118.23 1gbl s ALA 164 Ca -0.04 1.54 0.06 0.00 0.00 0.00 0.00 51.96 53.52 1gbl s ALA 164 Cb 0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1gbl s ALA 164 CO 0.43 -0.40 -0.10 0.15 0.00 0.00 0.00 175.76 175.84 1gbl s LYS 165 N -1.58 1.31 -1.30 0.00 1.02 -1.26 -0.38 119.74 117.54 1gbl s LYS 165 Ca 0.02 -1.60 -0.05 0.00 0.02 0.00 0.00 55.97 54.36 1gbl s LYS 165 Cb -0.01 -0.96 0.01 0.00 -0.52 0.00 0.00 37.83 36.36 1gbl s LYS 165 CO -0.02 0.10 1.06 -1.71 -0.92 0.00 0.00 175.35 173.87 1gbl n ASN 166 N -0.38 -4.13 -4.81 2.83 4.05 -0.43 -4.95 115.26 107.44 1gbl n ASN 166 Ca -0.08 -0.61 -0.37 0.00 0.45 0.00 0.00 54.58 53.97 1gbl n ASN 166 Cb 0.61 -4.92 -0.06 0.00 1.23 0.00 0.00 39.78 36.64 1gbl n ASN 166 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1gbl s VAL 167 N -3.36 4.64 -0.20 3.44 1.01 0.59 -4.49 120.40 122.02 1gbl s VAL 167 Ca 0.31 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.45 1gbl s VAL 167 Cb -0.14 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1gbl s VAL 167 CO 0.74 0.37 0.10 -0.89 0.00 0.00 0.00 175.10 175.43 1gbl s THR 168 N -1.33 5.11 -0.13 3.92 2.01 -1.26 -0.62 115.64 123.35 1gbl s THR 168 Ca 0.37 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.41 1gbl s THR 168 Cb -0.18 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1gbl s THR 168 CO 0.21 0.43 0.03 0.00 -0.69 0.00 0.00 174.62 174.60 1gbl s ALA 169 N 0.49 3.34 -0.69 7.40 0.00 0.50 -4.95 121.76 127.85 1gbl s ALA 169 Ca 0.06 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 1gbl s ALA 169 Cb -0.12 -1.68 0.18 0.00 0.00 0.00 0.00 23.12 21.50 1gbl s ALA 169 CO -0.00 0.40 0.56 -0.80 0.00 0.00 0.00 175.76 175.92 1gbl s ASN 170 N -0.30 5.92 0.59 0.00 0.01 -1.26 -0.75 114.94 119.15 1gbl s ASN 170 Ca 0.07 -2.66 -0.08 0.00 -0.71 0.00 0.00 52.86 49.48 1gbl s ASN 170 Cb -0.12 -2.02 -0.01 0.00 0.41 0.00 0.00 41.25 39.50 1gbl s ASN 170 CO 0.02 -0.50 0.93 -0.31 -1.51 0.00 0.00 177.10 175.74 1gbl s TYR 171 N 0.22 3.44 0.45 2.20 2.02 -0.96 -4.96 117.35 119.76 1gbl s TYR 171 Ca 0.16 0.92 0.21 0.00 -0.37 0.00 0.00 57.07 57.99 1gbl s TYR 171 Cb -0.17 -2.67 1.18 0.00 -0.40 0.00 0.00 41.96 39.90 1gbl s TYR 171 CO -0.05 -0.70 1.85 0.00 -1.57 0.00 0.00 175.55 175.08 1gbl h ALA 173 N -0.19 2.37 0.00 3.71 0.00 -2.02 -1.63 119.26 121.50 1gbl h ALA 173 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gbl h ALA 173 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1gbl h ALA 173 CO 0.62 -0.66 0.00 0.93 0.00 0.00 0.00 179.25 180.14 1gbl h GLU 174 N 0.31 0.00 0.00 0.00 3.07 -2.01 -3.49 114.58 112.46 1gbl h GLU 174 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1gbl h GLU 174 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1gbl h GLU 174 CO -0.15 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.87 1gbl n GLY 175 N 0.83 3.57 3.82 -3.84 0.00 -0.61 -4.85 105.19 104.10 1gbl n GLY 175 Ca 0.03 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1gbl n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gbl s ALA 176 N -2.00 2.91 -0.10 4.61 0.00 -1.26 -2.27 121.76 123.65 1gbl s ALA 176 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1gbl s ALA 176 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1gbl s ALA 176 CO 0.00 -0.44 -0.09 0.08 0.00 0.00 0.00 175.76 175.32 1gbl s VAL 177 N -2.42 1.04 0.20 0.00 1.01 0.08 -0.32 120.40 119.99 1gbl s VAL 177 Ca 0.62 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.32 1gbl s VAL 177 Cb -0.13 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1gbl s VAL 177 CO 0.30 0.36 0.16 -0.13 0.00 0.00 0.00 175.10 175.78 1gbl s ARG 178 N 1.36 2.89 -0.23 2.72 0.52 0.23 -0.37 118.95 126.07 1gbl s ARG 178 Ca -0.02 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1gbl s ARG 178 Cb -0.14 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1gbl s ARG 178 CO -0.04 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.13 1gbl n GLY 179 N -0.71 0.50 3.82 -3.53 0.00 -0.88 -4.74 105.19 99.65 1gbl n GLY 179 Ca -0.08 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1gbl n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gbl s LEU 180 N -0.52 3.90 -0.05 0.99 1.43 0.21 -4.30 118.68 120.34 1gbl s LEU 180 Ca 0.00 1.70 -0.06 0.00 -1.03 0.00 0.00 54.13 54.75 1gbl s LEU 180 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1gbl s LEU 180 CO 0.00 -0.42 0.19 -0.89 0.23 0.00 0.00 176.35 175.46 1gbl s THR 181 N -2.20 5.42 -0.16 5.49 2.01 -0.39 -0.30 115.64 125.52 1gbl s THR 181 Ca 0.62 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.67 1gbl s THR 181 Cb -0.10 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1gbl s THR 181 CO 0.15 0.46 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.94 1gbl s GLN 182 N -1.51 3.71 0.43 4.92 0.74 0.49 -1.15 119.66 127.29 1gbl s GLN 182 Ca 0.22 -0.50 0.04 0.00 0.05 0.00 0.00 55.36 55.17 1gbl s GLN 182 Cb -0.13 -2.96 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 1gbl s GLN 182 CO 0.12 0.24 0.04 0.20 -0.55 0.00 0.00 175.29 175.35 1gbl s GLY 183 N 0.37 2.63 -0.10 2.59 0.00 0.18 -0.22 107.32 112.77 1gbl s GLY 183 Ca -0.03 -1.36 0.14 0.00 0.00 0.00 0.00 44.72 43.46 1gbl s GLY 183 CO 0.03 -2.03 1.15 1.16 0.00 0.00 0.00 173.10 173.41 1gbl n ASN 184 N -1.09 2.49 -4.77 1.64 0.23 -0.66 -2.11 115.26 110.99 1gbl n ASN 184 Ca -0.10 -2.78 -0.38 0.00 -0.53 0.00 0.00 54.58 50.79 1gbl n ASN 184 Cb 0.67 -0.34 -0.00 0.00 -2.08 0.00 0.00 39.78 38.03 1gbl n ASN 184 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gbl s ALA 185 N -2.36 3.10 0.56 -2.53 0.00 -1.26 -4.78 121.76 114.50 1gbl s ALA 185 Ca 0.26 1.11 -0.03 0.00 0.00 0.00 0.00 51.96 53.30 1gbl s ALA 185 Cb 0.22 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1gbl s ALA 185 CO 0.04 -0.80 0.83 0.00 0.00 0.00 0.00 175.76 175.83 1gbl s ALA 190 N -2.86 -1.08 0.17 0.00 0.00 -1.26 -4.77 121.76 111.95 1gbl s ALA 190 Ca 0.54 -0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1gbl s ALA 190 Cb -0.10 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1gbl s ALA 190 CO 0.41 -0.92 0.18 0.20 0.00 0.00 0.00 175.76 175.64 1gbl s GLY 191 N -2.89 0.91 -0.04 0.00 0.00 -1.26 -1.88 107.32 102.15 1gbl s GLY 191 Ca 0.10 -1.30 -0.34 0.00 0.00 0.00 0.00 44.72 43.18 1gbl s GLY 191 CO 0.02 -1.15 1.81 0.54 0.00 0.00 0.00 173.10 174.32 1gbl n ARG 192 N -0.20 2.15 0.00 2.90 1.74 -0.08 -1.85 116.66 121.31 1gbl n ARG 192 Ca -0.04 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 1gbl n ARG 192 Cb 0.64 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 1gbl n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gbl n GLY 193 N 4.19 2.32 0.10 -0.13 0.00 -1.26 -4.76 105.19 105.64 1gbl n GLY 193 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1gbl n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gbl n ASP 194 N 0.00 0.78 -4.56 1.61 8.00 -0.77 -3.41 116.55 118.20 1gbl n ASP 194 Ca 0.00 0.48 -0.47 0.00 0.71 0.00 0.00 54.79 55.51 1gbl n ASP 194 Cb 0.00 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.47 1gbl n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1gbl n SER 195 N -2.22 1.02 0.00 -2.24 7.64 -1.26 -1.28 113.62 115.28 1gbl n SER 195 Ca 0.05 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1gbl n SER 195 Cb 0.43 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1gbl n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gbl n GLY 196 N 1.67 2.96 3.73 0.23 0.00 0.17 -0.84 105.19 113.10 1gbl n GLY 196 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1gbl n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gbl s GLY 197 N -1.90 1.63 0.27 -0.02 0.00 -0.41 -2.22 107.32 104.67 1gbl s GLY 197 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 44.72 44.47 1gbl s GLY 197 CO 0.00 0.49 1.26 -0.56 0.00 0.00 0.00 173.10 174.29 1gbl s SER 198 N -3.40 6.94 -0.18 1.64 0.01 -1.14 -0.57 113.70 117.01 1gbl s SER 198 Ca 0.63 2.48 -0.01 0.00 1.31 0.00 0.00 55.95 60.35 1gbl s SER 198 Cb -0.18 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.42 1gbl s SER 198 CO 0.57 -0.44 -0.11 0.26 0.41 0.00 0.00 173.24 173.92 1gbl s TRP 199 N -0.64 2.86 0.01 2.43 0.52 -0.32 -0.85 118.94 122.94 1gbl s TRP 199 Ca 0.51 -1.04 -0.10 0.00 0.02 0.00 0.00 56.10 55.49 1gbl s TRP 199 Cb -0.37 -1.97 0.01 0.00 -1.15 0.00 0.00 33.47 29.99 1gbl s TRP 199 CO 0.44 -0.52 0.20 -1.50 0.02 0.00 0.00 176.95 175.60 1gbl s ILE 200 N 1.08 0.08 0.51 2.03 2.07 0.17 -0.61 121.20 126.53 1gbl s ILE 200 Ca 0.00 -0.67 -0.05 0.00 -1.41 0.00 0.00 60.65 58.52 1gbl s ILE 200 Cb -0.15 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.83 1gbl s ILE 200 CO -0.03 -0.37 0.81 0.42 -1.91 0.00 0.00 174.94 173.87 1gbl s THR 201 N -1.64 4.47 0.50 4.00 -4.23 -0.61 -0.71 115.64 117.43 1gbl s THR 201 Ca -0.12 0.10 0.23 0.00 -1.18 0.00 0.00 61.69 60.72 1gbl s THR 201 Cb -0.05 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.36 1gbl s THR 201 CO 0.01 -0.70 2.13 0.77 -0.54 0.00 0.00 174.62 176.29 1gbl h SER 201 N 0.11 0.00 0.00 3.99 4.64 -1.91 0.28 113.55 120.66 1gbl h SER 201 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1gbl h SER 201 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1gbl h SER 201 CO 0.61 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.64 1gbl n ALA 202 N -2.39 2.50 -0.57 5.18 0.00 -1.26 -4.89 120.51 119.08 1gbl n ALA 202 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1gbl n ALA 202 Cb 0.16 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1gbl n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gbl n GLY 207 N 0.68 0.68 3.58 0.00 0.00 0.09 -4.69 105.19 105.53 1gbl n GLY 207 Ca 0.19 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1gbl n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gbl s GLN 208 N -0.80 3.83 -0.02 1.61 -1.52 -1.25 -0.20 119.66 121.31 1gbl s GLN 208 Ca 0.00 0.02 -0.30 0.00 -1.95 0.00 0.00 55.36 53.13 1gbl s GLN 208 Cb 0.00 -3.73 -0.05 0.00 -0.22 0.00 0.00 33.01 29.01 1gbl s GLN 208 CO 0.00 -0.48 1.35 0.00 -0.25 0.00 0.00 175.29 175.91 1gbl s ALA 209 N 2.29 3.56 -0.26 6.09 0.00 -0.01 -1.57 121.76 131.87 1gbl s ALA 209 Ca 0.18 0.80 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 1gbl s ALA 209 Cb -0.16 -3.58 -0.16 0.00 0.00 0.00 0.00 23.12 19.22 1gbl s ALA 209 CO 0.11 -0.89 -0.24 1.04 0.00 0.00 0.00 175.76 175.78 1gbl n GLN 210 N 5.41 0.64 -3.56 0.00 1.13 0.22 -4.45 117.38 116.76 1gbl n GLN 210 Ca 0.13 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.36 1gbl n GLN 210 Cb 0.44 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.27 1gbl n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1gbl n GLY 211 N 2.05 -1.15 3.39 1.08 0.00 -1.19 -1.50 105.19 107.88 1gbl n GLY 211 Ca -0.47 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 1gbl n GLY 211 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gbl s VAL 212 N -3.00 2.51 -0.02 1.61 -7.23 -0.41 -1.18 120.40 112.68 1gbl s VAL 212 Ca 0.00 -1.00 -0.35 0.00 -1.81 0.00 0.00 61.98 58.81 1gbl s VAL 212 Cb 0.00 -1.94 -0.14 0.00 0.56 0.00 0.00 36.38 34.86 1gbl s VAL 212 CO 0.00 0.54 1.70 0.80 -0.31 0.00 0.00 175.10 177.82 1gbl n MET 213 N 2.24 1.87 -0.03 4.82 1.56 0.27 -0.59 117.12 127.25 1gbl n MET 213 Ca -0.16 0.68 -0.04 0.00 -0.27 0.00 0.00 57.70 57.91 1gbl n MET 213 Cb 0.52 -2.45 -0.01 0.00 2.15 0.00 0.00 33.22 33.43 1gbl n MET 213 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1gbl n SER 214 N 4.92 0.92 -2.52 6.12 2.88 0.40 -0.66 113.62 125.68 1gbl n SER 214 Ca 0.21 0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.84 1gbl n SER 214 Cb 0.25 -0.51 0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1gbl n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gbl n GLY 215 N 1.99 1.06 3.66 0.46 0.00 -0.85 -4.83 105.19 106.67 1gbl n GLY 215 Ca -0.06 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 1gbl n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gbl s GLY 216 N -2.77 -0.35 -1.25 -0.02 0.00 -1.26 -0.35 107.32 101.32 1gbl s GLY 216 Ca 0.14 0.57 -0.13 0.00 0.00 0.00 0.00 44.72 45.30 1gbl s GLY 216 CO 0.08 0.11 1.62 1.16 0.00 0.00 0.00 173.10 176.07 1gbl n ASN 217 N -0.45 5.08 -4.78 1.64 6.94 -0.63 -4.99 115.26 118.08 1gbl n ASN 217 Ca -0.07 -2.99 -0.37 0.00 -0.02 0.00 0.00 54.58 51.12 1gbl n ASN 217 Cb 0.62 -1.58 -0.03 0.00 -2.36 0.00 0.00 39.78 36.42 1gbl n ASN 217 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1gbl s VAL 218 N 1.78 3.56 0.50 3.53 0.11 -1.26 -4.50 120.40 124.11 1gbl s VAL 218 Ca 0.44 1.25 0.05 0.00 -2.93 0.00 0.00 61.98 60.79 1gbl s VAL 218 Cb 0.02 -3.67 0.09 0.00 -1.53 0.00 0.00 36.38 31.29 1gbl s VAL 218 CO 0.01 0.06 0.68 0.00 -3.33 0.00 0.00 175.10 172.52 1gbl n GLN 219 N 0.06 0.48 0.16 1.54 1.13 -0.27 -4.91 117.38 115.58 1gbl n GLN 219 Ca 0.04 -2.37 0.13 0.00 -1.94 0.00 0.00 57.00 52.86 1gbl n GLN 219 Cb 0.48 -0.30 0.57 0.00 0.11 0.00 0.00 30.24 31.11 1gbl n GLN 219 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1gbl h SER 219 N -0.09 0.00 -0.00 1.08 4.64 -1.97 -0.32 113.55 116.88 1gbl h SER 219 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1gbl h SER 219 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1gbl h SER 219 CO 0.30 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.80 1gbl n ASN 219 N -2.39 0.03 0.00 4.97 6.94 -1.26 -4.91 115.26 118.65 1gbl n ASN 219 Ca 0.01 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.37 1gbl n ASN 219 Cb 0.19 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1gbl n ASN 219 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1gbl n GLY 219 N 0.91 0.71 3.49 4.83 0.00 -0.13 -5.00 105.19 110.00 1gbl n GLY 219 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1gbl n GLY 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gbl s ASN 219 N -2.92 0.51 -0.24 1.61 2.20 -1.26 -0.90 114.94 113.94 1gbl s ASN 219 Ca 0.00 -1.31 0.12 0.00 -0.94 0.00 0.00 52.86 50.73 1gbl s ASN 219 Cb 0.00 0.61 0.49 0.00 -2.00 0.00 0.00 41.25 40.35 1gbl s ASN 219 CO 0.00 -1.20 1.41 -0.46 -2.94 0.00 0.00 177.10 173.91 1gbl n ASN 220 N -0.97 2.80 0.23 3.54 0.23 -0.79 -1.11 115.26 119.19 1gbl n ASN 220 Ca 0.00 -3.52 0.13 0.00 -0.53 0.00 0.00 54.58 50.66 1gbl n ASN 220 Cb 0.62 -0.59 0.39 0.00 -2.08 0.00 0.00 39.78 38.13 1gbl n ASN 220 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gbl n GLY 221 N 0.56 2.21 3.40 0.00 0.00 -1.26 -4.86 105.19 105.24 1gbl n GLY 221 Ca 0.02 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.07 1gbl n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gbl s ILE 222 N -1.80 2.28 0.62 -0.61 -4.36 -1.23 -5.12 121.20 110.99 1gbl s ILE 222 Ca 0.41 -1.84 -0.17 0.00 -0.26 0.00 0.00 60.65 58.80 1gbl s ILE 222 Cb 0.27 -2.03 -0.02 0.00 1.25 0.00 0.00 42.46 41.93 1gbl s ILE 222 CO 0.20 0.03 1.16 -2.16 0.24 0.00 0.00 174.94 174.40 1gbl s PRO 222 N -2.23 2.90 0.37 0.37 0.04 -1.26 -4.86 135.00 130.33 1gbl s PRO 222 Ca 0.16 1.62 0.16 0.00 0.04 0.00 0.00 61.00 62.98 1gbl s PRO 222 Cb -0.09 -1.94 1.05 0.00 0.04 0.00 0.00 34.50 33.55 1gbl s PRO 222 CO 0.07 -1.21 1.75 0.00 0.04 0.00 0.00 177.00 177.65 1gbl h ALA 222 N 0.54 2.10 -0.03 8.56 0.00 -1.93 0.10 119.26 128.61 1gbl h ALA 222 Ca -0.49 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1gbl h ALA 222 Cb 1.27 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1gbl h ALA 222 CO 0.54 -0.55 0.05 0.66 0.00 0.00 0.00 179.25 179.96 1gbl h SER 222 N 0.44 0.00 -0.10 0.00 4.64 -1.91 -2.03 113.55 114.58 1gbl h SER 222 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1gbl h SER 222 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1gbl h SER 222 CO -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.59 1gbl n GLN 223 N -3.53 1.73 -3.42 4.77 6.02 0.35 -5.00 117.38 118.30 1gbl n GLN 223 Ca -0.02 -1.71 -0.36 0.00 -0.01 0.00 0.00 57.00 54.89 1gbl n GLN 223 Cb 0.14 -1.37 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 1gbl n GLN 223 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1gbl s ARG 224 N -1.45 3.96 -0.25 -1.09 0.52 -0.77 -4.97 118.95 114.91 1gbl s ARG 224 Ca 0.24 0.46 -0.02 0.00 -0.52 0.00 0.00 55.73 55.89 1gbl s ARG 224 Cb 0.16 -3.07 0.08 0.00 0.52 0.00 0.00 34.95 32.64 1gbl s ARG 224 CO 0.23 0.57 0.06 0.45 0.02 0.00 0.00 175.30 176.64 1gbl s SER 225 N -1.47 3.45 -0.15 0.23 0.15 -1.26 -4.63 113.70 110.02 1gbl s SER 225 Ca 0.32 -1.19 0.02 0.00 0.70 0.00 0.00 55.95 55.79 1gbl s SER 225 Cb -0.16 -0.71 0.02 0.00 -1.71 0.00 0.00 66.02 63.45 1gbl s SER 225 CO 0.18 -0.35 -0.19 -0.44 1.20 0.00 0.00 173.24 173.63 1gbl s SER 226 N 1.76 2.96 -0.06 5.45 0.01 -0.90 -1.60 113.70 121.32 1gbl s SER 226 Ca 0.04 -0.58 0.04 0.00 1.31 0.00 0.00 55.95 56.76 1gbl s SER 226 Cb -0.17 -1.37 -0.02 0.00 0.21 0.00 0.00 66.02 64.67 1gbl s SER 226 CO -0.17 0.02 -0.16 -0.76 0.41 0.00 0.00 173.24 172.58 1gbl s LEU 227 N 1.09 2.60 0.07 2.44 1.43 0.52 -0.65 118.68 126.19 1gbl s LEU 227 Ca -0.01 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1gbl s LEU 227 Cb -0.14 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1gbl s LEU 227 CO -0.07 0.30 -0.16 0.72 0.23 0.00 0.00 176.35 177.37 1gbl s PHE 228 N -0.47 1.37 -0.10 0.29 -0.12 -0.30 -0.45 117.98 118.20 1gbl s PHE 228 Ca 0.06 -0.43 -0.26 0.00 -0.05 0.00 0.00 56.93 56.25 1gbl s PHE 228 Cb -0.12 -0.77 -0.03 0.00 -0.63 0.00 0.00 43.02 41.48 1gbl s PHE 228 CO 0.02 0.09 0.81 -2.00 -0.05 0.00 0.00 175.22 174.09 1gbl s GLU 229 N -1.68 4.40 0.31 1.99 2.56 0.24 -1.26 118.70 125.26 1gbl s GLU 229 Ca 0.01 1.05 -0.30 0.00 0.00 0.00 0.00 54.97 55.73 1gbl s GLU 229 Cb -0.10 -3.51 -0.12 0.00 2.00 0.00 0.00 34.13 32.41 1gbl s GLU 229 CO 0.03 -0.13 1.53 0.54 -0.56 0.00 0.00 175.26 176.67 1gbl n ARG 230 N 4.44 2.57 -0.05 4.30 1.74 -1.26 -1.28 116.66 127.12 1gbl n ARG 230 Ca 0.03 0.91 -0.15 0.00 -0.77 0.00 0.00 57.85 57.87 1gbl n ARG 230 Cb 0.50 -2.66 -0.07 0.00 -1.02 0.00 0.00 32.46 29.22 1gbl n ARG 230 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1gbl h LEU 231 N 4.23 0.73 -0.55 0.55 5.85 -1.59 -3.38 115.31 121.15 1gbl h LEU 231 Ca -0.47 -0.58 0.09 0.00 0.84 0.00 0.00 57.88 57.75 1gbl h LEU 231 Cb 1.24 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 1gbl h LEU 231 CO 0.75 1.19 0.16 1.56 -0.34 0.00 0.00 178.44 181.75 1gbl h GLN 232 N 0.32 0.30 0.00 1.25 4.20 -1.90 -0.53 115.11 118.75 1gbl h GLN 232 Ca -0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1gbl h GLN 232 Cb 1.11 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 1gbl h GLN 232 CO 0.11 0.20 -0.00 -1.00 -0.67 0.00 0.00 178.83 177.46 1gbl h PRO 233 N 0.31 0.00 -0.18 1.46 0.13 -2.00 -2.40 132.00 129.33 1gbl h PRO 233 Ca 0.27 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.30 1gbl h PRO 233 Cb 0.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1gbl h PRO 233 CO -0.31 0.00 -0.28 0.82 -0.23 0.00 0.00 178.00 177.99 1gbl h ILE 234 N 0.00 1.34 -0.68 -3.56 2.04 -1.29 0.08 117.51 115.44 1gbl h ILE 234 Ca -0.00 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 1gbl h ILE 234 Cb 0.00 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1gbl h ILE 234 CO 0.00 0.46 0.36 -0.07 0.00 0.00 0.00 178.15 178.89 1gbl h LEU 235 N 0.15 0.87 0.15 1.44 3.38 -0.93 -2.23 115.31 118.14 1gbl h LEU 235 Ca 0.01 -0.11 -0.29 0.00 0.09 0.00 0.00 57.88 57.59 1gbl h LEU 235 Cb 0.86 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1gbl h LEU 235 CO 0.06 0.73 -1.30 0.77 0.09 0.00 0.00 178.44 178.79 1gbl h SER 236 N 0.94 0.51 -0.95 -0.43 4.64 -1.45 -0.59 113.55 116.21 1gbl h SER 236 Ca 0.24 -0.55 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1gbl h SER 236 Cb 0.07 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 61.94 1gbl h SER 236 CO -0.04 1.43 0.63 -0.61 -0.87 0.00 0.00 176.83 177.38 1gbl h GLN 237 N 0.09 1.23 -0.40 4.77 4.15 -0.88 -2.81 115.11 121.26 1gbl h GLN 237 Ca -0.16 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1gbl h GLN 237 Cb 2.01 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 29.43 1gbl h GLN 237 CO 0.22 0.82 0.00 0.66 -1.93 0.00 0.00 178.83 178.59 1gbl n TYR 238 N -4.40 0.53 -3.46 3.99 4.01 -0.85 -4.98 117.16 111.99 1gbl n TYR 238 Ca 0.12 -0.32 -0.21 0.00 -0.16 0.00 0.00 57.90 57.33 1gbl n TYR 238 Cb 0.04 -0.01 0.08 0.00 -0.31 0.00 0.00 39.34 39.14 1gbl n TYR 238 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gbl n GLY 239 N 1.24 -0.39 3.89 2.72 0.00 -0.44 -5.01 105.19 107.20 1gbl n GLY 239 Ca 0.17 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 1gbl n GLY 239 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gbl s LEU 240 N -6.60 4.15 -0.03 0.99 1.43 -0.36 -4.66 118.68 113.59 1gbl s LEU 240 Ca 0.42 0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.66 1gbl s LEU 240 Cb -0.19 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1gbl s LEU 240 CO 0.67 0.08 -0.19 -0.44 0.23 0.00 0.00 176.35 176.69 1gbl s SER 241 N -3.06 2.36 0.26 2.29 0.01 0.84 -4.74 113.70 111.65 1gbl s SER 241 Ca 0.33 -0.38 -0.29 0.00 1.31 0.00 0.00 55.95 56.92 1gbl s SER 241 Cb -0.11 -0.49 -0.09 0.00 0.21 0.00 0.00 66.02 65.54 1gbl s SER 241 CO 0.27 0.20 1.24 -0.22 0.41 0.00 0.00 173.24 175.14 1gbl s LEU 242 N -0.20 4.46 -0.21 2.44 2.96 -1.26 -0.70 118.68 126.17 1gbl s LEU 242 Ca 0.01 2.43 -0.26 0.00 -0.22 0.00 0.00 54.13 56.09 1gbl s LEU 242 Cb -0.10 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 42.96 1gbl s LEU 242 CO 0.01 -0.41 0.91 -0.69 -1.32 0.00 0.00 176.35 174.85 1gbl s VAL 243 N -0.63 4.80 0.37 1.68 1.01 -0.87 -4.87 120.40 121.89 1gbl s VAL 243 Ca 0.51 1.76 0.07 0.00 0.00 0.00 0.00 61.98 64.31 1gbl s VAL 243 Cb -0.36 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1gbl s VAL 243 CO 0.43 -0.07 -0.00 0.42 0.00 0.00 0.00 175.10 175.88 1gbl s THR 244 N 2.67 1.82 0.00 3.92 -4.23 -1.26 -4.43 115.64 114.13 1gbl s THR 244 Ca 0.40 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1gbl s THR 244 Cb -0.16 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1gbl s THR 244 CO 0.09 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.72