#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2q s SER 2 N 0.00 6.52 -0.47 1.61 0.15 -1.26 -5.01 113.70 115.24 1x2q s SER 2 Ca 0.00 0.63 0.03 0.00 0.70 0.00 0.00 55.95 57.31 1x2q s SER 2 Cb 0.00 -2.27 0.16 0.00 -1.71 0.00 0.00 66.02 62.19 1x2q s SER 2 CO 0.00 -0.14 0.33 -0.55 1.20 0.00 0.00 173.24 174.07 1x2q s SER 3 N 1.12 2.85 -0.18 5.45 0.15 -1.26 -5.07 113.70 116.76 1x2q s SER 3 Ca 0.22 -2.99 -0.02 0.00 0.70 0.00 0.00 55.95 53.87 1x2q s SER 3 Cb -0.15 -0.81 0.05 0.00 -1.71 0.00 0.00 66.02 63.40 1x2q s SER 3 CO 0.09 -0.20 0.00 -0.83 1.20 0.00 0.00 173.24 173.51 1x2q s GLY 4 N -0.02 0.80 0.40 9.45 0.00 -1.26 -5.12 107.32 111.58 1x2q s GLY 4 Ca 0.25 -0.73 -0.23 0.00 0.00 0.00 0.00 44.72 44.01 1x2q s GLY 4 CO -0.11 1.22 0.67 -1.26 0.00 0.00 0.00 173.10 173.62 1x2q n SER 5 N 4.98 -0.33 -3.33 1.64 2.88 -1.26 -4.97 113.62 113.23 1x2q n SER 5 Ca -0.10 0.96 -0.12 0.00 -1.33 0.00 0.00 58.87 58.28 1x2q n SER 5 Cb 0.47 -1.17 -0.06 0.00 -0.75 0.00 0.00 64.21 62.70 1x2q n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x2q s SER 6 N -0.89 0.61 -0.33 -3.46 0.01 -1.26 -5.08 113.70 103.29 1x2q s SER 6 Ca 0.63 -1.14 0.01 0.00 1.31 0.00 0.00 55.95 56.76 1x2q s SER 6 Cb -0.61 0.90 0.19 0.00 0.21 0.00 0.00 66.02 66.70 1x2q s SER 6 CO 0.58 -0.27 0.77 -0.83 0.41 0.00 0.00 173.24 173.89 1x2q s GLY 7 N 1.80 -1.25 0.14 3.44 0.00 -1.26 -5.04 107.32 105.14 1x2q s GLY 7 Ca 0.15 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.90 1x2q s GLY 7 CO -0.12 3.87 0.00 -1.26 0.00 0.00 0.00 173.10 175.59 1x2q n SER 8 N 4.75 0.62 -2.30 1.64 2.88 -1.26 -5.14 113.62 114.82 1x2q n SER 8 Ca 0.08 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1x2q n SER 8 Cb 0.57 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1x2q n SER 8 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1x2q n GLU 9 N -3.41 -4.86 -3.58 -1.46 2.13 -1.26 -4.99 120.64 103.22 1x2q n GLU 9 Ca 0.00 3.50 -0.28 0.00 0.66 0.00 0.00 57.16 61.04 1x2q n GLU 9 Cb 0.05 -4.34 -0.12 0.00 0.27 0.00 0.00 31.44 27.30 1x2q n GLU 9 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1x2q s ILE 10 N -0.54 0.96 -0.20 6.31 1.01 -1.26 -5.08 121.20 122.39 1x2q s ILE 10 Ca 0.00 -2.60 -0.36 0.00 0.00 0.00 0.00 60.65 57.69 1x2q s ILE 10 Cb 0.00 -1.66 0.14 0.00 0.01 0.00 0.00 42.46 40.95 1x2q s ILE 10 CO 0.00 -1.04 1.30 0.00 0.00 0.00 0.00 174.94 175.20 1x2q s GLN 11 N 0.20 0.19 -0.30 2.79 -2.07 -1.26 -5.15 119.66 114.06 1x2q s GLN 11 Ca 0.23 -0.08 -0.02 0.00 -1.82 0.00 0.00 55.36 53.67 1x2q s GLN 11 Cb -0.13 0.08 0.19 0.00 -1.09 0.00 0.00 33.01 32.07 1x2q s GLN 11 CO -0.08 -0.08 0.74 -1.17 -1.32 0.00 0.00 175.29 173.38 1x2q s LEU 12 N -2.29 -1.17 -0.29 2.60 2.96 -1.26 -5.15 118.68 114.08 1x2q s LEU 12 Ca 0.11 0.41 -0.21 0.00 -0.22 0.00 0.00 54.13 54.22 1x2q s LEU 12 Cb 0.01 1.85 0.16 0.00 0.50 0.00 0.00 46.19 48.70 1x2q s LEU 12 CO -0.04 -0.22 1.15 0.21 -1.32 0.00 0.00 176.35 176.13 1x2q s ASN 13 N 2.88 -0.32 -0.43 3.68 3.84 -1.26 -5.12 114.94 118.21 1x2q s ASN 13 Ca 0.14 0.56 -0.10 0.00 0.21 0.00 0.00 52.86 53.68 1x2q s ASN 13 Cb -0.10 0.80 0.08 0.00 -0.55 0.00 0.00 41.25 41.48 1x2q s ASN 13 CO -0.21 -0.09 0.28 0.54 -2.79 0.00 0.00 177.10 174.82 1x2q s ASN 14 N 0.59 5.68 0.27 -4.21 2.20 -1.26 -5.04 114.94 113.17 1x2q s ASN 14 Ca -0.01 -1.54 0.01 0.00 -0.94 0.00 0.00 52.86 50.38 1x2q s ASN 14 Cb -0.04 -2.00 -0.03 0.00 -2.00 0.00 0.00 41.25 37.18 1x2q s ASN 14 CO -0.11 -0.56 0.26 -1.59 -2.94 0.00 0.00 177.10 172.16 1x2q s LYS 15 N 1.43 1.53 -0.17 3.55 -2.85 -1.26 -5.15 119.74 116.83 1x2q s LYS 15 Ca 0.03 -1.76 -0.05 0.00 -1.00 0.00 0.00 55.97 53.19 1x2q s LYS 15 Cb -0.23 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 35.83 1x2q s LYS 15 CO 0.02 -0.56 0.01 0.14 0.10 0.00 0.00 175.35 175.06 1x2q s VAL 16 N -3.73 4.35 0.23 1.79 -7.23 -1.26 -5.08 120.40 109.46 1x2q s VAL 16 Ca 0.37 -0.20 -0.18 0.00 -1.81 0.00 0.00 61.98 60.16 1x2q s VAL 16 Cb 0.04 -2.93 0.02 0.00 0.56 0.00 0.00 36.38 34.07 1x2q s VAL 16 CO 0.19 0.48 0.59 0.00 -0.31 0.00 0.00 175.10 176.05 1x2q s ALA 17 N 0.32 -0.98 -0.63 1.32 0.00 -1.26 -5.11 121.76 115.42 1x2q s ALA 17 Ca -0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 1x2q s ALA 17 Cb -0.13 0.89 0.09 0.00 0.00 0.00 0.00 23.12 23.97 1x2q s ALA 17 CO 0.02 -0.89 0.82 0.50 0.00 0.00 0.00 175.76 176.21 1x2q s ARG 18 N -3.90 3.09 0.25 0.00 3.52 -1.24 -4.98 118.95 115.69 1x2q s ARG 18 Ca 0.11 -1.13 -0.14 0.00 -0.13 0.00 0.00 55.73 54.44 1x2q s ARG 18 Cb -0.03 -4.27 -0.08 0.00 -1.56 0.00 0.00 34.95 29.02 1x2q s ARG 18 CO 0.01 -1.66 0.64 0.15 -0.81 0.00 0.00 175.30 173.63 1x2q s LYS 19 N 3.25 3.96 -0.01 5.12 1.02 -1.26 0.18 119.74 132.00 1x2q s LYS 19 Ca 0.16 0.53 -0.09 0.00 0.02 0.00 0.00 55.97 56.59 1x2q s LYS 19 Cb -0.21 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1x2q s LYS 19 CO 0.07 0.30 0.18 0.14 -0.92 0.00 0.00 175.35 175.12 1x2q s VAL 20 N -1.77 0.07 -0.22 3.17 -7.23 0.93 -4.42 120.40 110.92 1x2q s VAL 20 Ca 0.47 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 60.01 1x2q s VAL 20 Cb -0.12 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 1x2q s VAL 20 CO 0.19 -0.30 0.10 -0.60 -0.31 0.00 0.00 175.10 174.18 1x2q s ARG 21 N -1.15 3.92 0.09 4.82 6.06 -1.02 0.44 118.95 132.10 1x2q s ARG 21 Ca -0.12 -0.36 -0.31 0.00 -2.50 0.00 0.00 55.73 52.44 1x2q s ARG 21 Cb -0.06 -3.35 -0.09 0.00 0.06 0.00 0.00 34.95 31.51 1x2q s ARG 21 CO 0.02 0.08 1.70 0.00 -2.50 0.00 0.00 175.30 174.60 1x2q s ALA 22 N 0.94 3.72 -0.09 6.12 0.00 0.61 -0.96 121.76 132.10 1x2q s ALA 22 Ca 0.05 1.30 -0.09 0.00 0.00 0.00 0.00 51.96 53.22 1x2q s ALA 22 Cb -0.14 -3.71 -0.28 0.00 0.00 0.00 0.00 23.12 18.99 1x2q s ALA 22 CO 0.03 -1.11 0.51 -0.07 0.00 0.00 0.00 175.76 175.11 1x2q h LEU 23 N 8.42 0.51 -9.36 0.00 3.38 -0.40 1.20 115.31 119.06 1x2q h LEU 23 Ca -0.44 -0.95 -0.61 0.00 0.09 0.00 0.00 57.88 55.98 1x2q h LEU 23 Cb 1.21 -0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 1x2q h LEU 23 CO 0.93 1.83 -0.70 -0.31 0.09 0.00 0.00 178.44 180.29 1x2q s TYR 24 N -2.57 2.34 -0.42 1.13 2.02 -1.21 -4.65 117.35 114.00 1x2q s TYR 24 Ca -0.19 -0.48 -0.25 0.00 -0.37 0.00 0.00 57.07 55.78 1x2q s TYR 24 Cb 0.06 -1.27 0.02 0.00 -0.40 0.00 0.00 41.96 40.37 1x2q s TYR 24 CO 0.81 0.59 0.88 0.16 -1.57 0.00 0.00 175.55 176.43 1x2q s ASP 25 N -3.57 6.55 0.55 2.29 -4.77 -1.26 -3.19 116.67 113.27 1x2q s ASP 25 Ca 0.32 0.27 0.09 0.00 -3.30 0.00 0.00 52.55 49.92 1x2q s ASP 25 Cb 0.01 -2.44 0.08 0.00 -1.09 0.00 0.00 42.92 39.48 1x2q s ASP 25 CO 0.16 -0.92 0.76 0.12 0.70 0.00 0.00 175.17 175.99 1x2q s PHE 26 N 3.51 1.65 -0.30 2.11 5.36 0.30 -4.88 117.98 125.73 1x2q s PHE 26 Ca 0.35 -0.65 -0.07 0.00 -0.96 0.00 0.00 56.93 55.60 1x2q s PHE 26 Cb -0.11 -2.26 0.19 0.00 -0.34 0.00 0.00 43.02 40.49 1x2q s PHE 26 CO 0.22 -1.05 0.94 -2.00 -1.46 0.00 0.00 175.22 171.87 1x2q s GLU 27 N -4.63 0.25 0.12 10.12 2.12 -1.26 -3.78 118.70 121.64 1x2q s GLU 27 Ca 0.61 0.26 -0.31 0.00 0.36 0.00 0.00 54.97 55.88 1x2q s GLU 27 Cb -0.06 0.12 -0.17 0.00 0.26 0.00 0.00 34.13 34.27 1x2q s GLU 27 CO 0.38 -0.44 0.70 0.00 -0.54 0.00 0.00 175.26 175.36 1x2q n ALA 28 N 5.21 -3.08 -0.04 6.30 0.00 -0.64 -4.87 120.51 123.40 1x2q n ALA 28 Ca 0.07 0.48 -0.04 0.00 0.00 0.00 0.00 53.44 53.95 1x2q n ALA 28 Cb 0.56 -1.59 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 1x2q n ALA 28 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1x2q n VAL 29 N 0.56 0.47 -1.48 0.00 3.14 -1.26 -4.96 118.33 114.80 1x2q n VAL 29 Ca 0.18 -0.25 -0.08 0.00 -2.96 0.00 0.00 64.34 61.24 1x2q n VAL 29 Cb 0.17 -0.81 0.05 0.00 -1.06 0.00 0.00 33.84 32.19 1x2q n VAL 29 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1x2q n GLU 30 N -2.44 -0.21 -1.25 1.45 1.02 -1.26 -4.96 120.64 112.98 1x2q n GLU 30 Ca -0.12 -0.62 -0.28 0.00 -0.02 0.00 0.00 57.16 56.12 1x2q n GLU 30 Cb 0.69 -0.35 0.14 0.00 -0.02 0.00 0.00 31.44 31.91 1x2q n GLU 30 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x2q n ASP 31 N -3.19 5.16 -2.66 1.62 8.00 -1.26 -4.25 116.55 119.97 1x2q n ASP 31 Ca 0.05 -3.66 -0.04 0.00 0.71 0.00 0.00 54.79 51.85 1x2q n ASP 31 Cb 0.16 -0.89 -0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1x2q n ASP 31 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x2q n ASN 32 N -1.05 -1.18 -4.56 -2.24 6.94 -1.26 -5.16 115.26 106.75 1x2q n ASN 32 Ca 0.60 -1.70 -0.29 0.00 -0.02 0.00 0.00 54.58 53.17 1x2q n ASN 32 Cb 1.31 1.01 -0.09 0.00 -2.36 0.00 0.00 39.78 39.65 1x2q n ASN 32 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1x2q s GLU 33 N 0.04 2.02 -0.15 -3.83 2.02 -1.26 -3.49 118.70 114.05 1x2q s GLU 33 Ca 0.05 -2.23 -0.08 0.00 0.02 0.00 0.00 54.97 52.73 1x2q s GLU 33 Cb 0.09 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.99 1x2q s GLU 33 CO -0.02 -0.29 0.12 -1.17 0.02 0.00 0.00 175.26 173.91 1x2q s LEU 34 N -3.74 4.22 -0.32 1.80 0.20 0.52 -3.98 118.68 117.38 1x2q s LEU 34 Ca 0.20 0.33 -0.02 0.00 0.69 0.00 0.00 54.13 55.34 1x2q s LEU 34 Cb 0.05 -2.05 0.06 0.00 -0.43 0.00 0.00 46.19 43.82 1x2q s LEU 34 CO 0.10 0.32 0.04 -0.89 -0.29 0.00 0.00 176.35 175.62 1x2q s THR 35 N -0.46 3.00 0.25 3.68 2.01 -1.26 -1.62 115.64 121.24 1x2q s THR 35 Ca 0.12 -1.54 -0.12 0.00 0.31 0.00 0.00 61.69 60.46 1x2q s THR 35 Cb -0.12 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1x2q s THR 35 CO 0.02 -0.23 0.46 0.72 -0.69 0.00 0.00 174.62 174.90 1x2q s PHE 36 N 1.22 0.44 0.33 4.92 -0.12 -1.25 -4.77 117.98 118.74 1x2q s PHE 36 Ca -0.02 -0.79 0.01 0.00 -0.05 0.00 0.00 56.93 56.08 1x2q s PHE 36 Cb -0.20 0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.34 1x2q s PHE 36 CO -0.02 -0.99 0.08 1.63 -0.05 0.00 0.00 175.22 175.87 1x2q n LYS 37 N -0.38 1.16 -2.29 1.99 5.02 -1.26 -0.54 118.16 121.85 1x2q n LYS 37 Ca -0.01 -2.27 -0.35 0.00 -2.02 0.00 0.00 58.31 53.66 1x2q n LYS 37 Cb 0.62 0.51 -0.00 0.00 -0.02 0.00 0.00 35.03 36.13 1x2q n LYS 37 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1x2q s HIS 38 N -2.01 2.75 0.00 2.13 5.65 -1.19 -3.45 115.29 119.16 1x2q s HIS 38 Ca 0.06 1.55 0.00 0.00 0.25 0.00 0.00 55.06 56.92 1x2q s HIS 38 Cb -0.00 -3.23 0.00 0.00 -1.18 0.00 0.00 32.58 28.17 1x2q s HIS 38 CO 0.04 -1.40 0.00 0.41 -0.65 0.00 0.00 174.74 173.13 1x2q n GLY 39 N -0.00 1.82 3.15 1.59 0.00 0.41 -4.91 105.19 107.25 1x2q n GLY 39 Ca 0.11 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1x2q n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x2q n GLU 40 N 0.00 0.00 -3.41 1.61 1.02 -1.22 -3.76 120.64 114.88 1x2q n GLU 40 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1x2q n GLU 40 Cb 0.00 -0.94 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 1x2q n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1x2q s ILE 41 N -1.15 4.91 -0.05 -3.67 -1.09 -1.26 -0.28 121.20 118.61 1x2q s ILE 41 Ca 0.58 0.66 -0.00 0.00 -2.23 0.00 0.00 60.65 59.67 1x2q s ILE 41 Cb -0.78 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 36.44 1x2q s ILE 41 CO 0.55 0.16 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.78 1x2q s ILE 42 N -1.56 0.29 -0.48 2.92 1.09 0.17 -4.49 121.20 119.15 1x2q s ILE 42 Ca 0.40 0.08 -0.21 0.00 -1.10 0.00 0.00 60.65 59.82 1x2q s ILE 42 Cb -0.14 -0.40 0.04 0.00 -1.06 0.00 0.00 42.46 40.90 1x2q s ILE 42 CO 0.20 0.20 0.72 -0.63 -0.10 0.00 0.00 174.94 175.32 1x2q s ILE 43 N 1.38 4.73 -0.11 2.92 1.09 0.51 -0.05 121.20 131.67 1x2q s ILE 43 Ca -0.04 0.05 -0.30 0.00 -1.10 0.00 0.00 60.65 59.26 1x2q s ILE 43 Cb -0.13 -4.31 -0.03 0.00 -1.06 0.00 0.00 42.46 36.93 1x2q s ILE 43 CO -0.02 -0.76 1.32 -0.69 -0.10 0.00 0.00 174.94 174.68 1x2q s VAL 44 N 3.06 4.13 -0.25 2.92 1.01 0.48 0.14 120.40 131.89 1x2q s VAL 44 Ca 0.23 1.40 -0.08 0.00 0.00 0.00 0.00 61.98 63.53 1x2q s VAL 44 Cb -0.15 -3.90 -0.16 0.00 0.00 0.00 0.00 36.38 32.17 1x2q s VAL 44 CO 0.18 -0.09 -0.17 0.18 0.00 0.00 0.00 175.10 175.20 1x2q n LEU 45 N 6.29 2.39 -4.04 3.92 4.77 0.21 -3.58 117.00 126.95 1x2q n LEU 45 Ca 0.14 0.16 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 1x2q n LEU 45 Cb 0.45 -0.90 -0.16 0.00 -2.33 0.00 0.00 43.42 40.47 1x2q n LEU 45 CO 0.57 0.70 -0.46 -1.81 -1.33 0.00 0.00 177.39 175.06 1x2q s ASP 46 N -7.03 1.63 -0.26 -1.43 1.11 0.18 -5.02 116.67 105.84 1x2q s ASP 46 Ca -0.35 -0.26 0.18 0.00 0.18 0.00 0.00 52.55 52.30 1x2q s ASP 46 Cb 0.11 -0.54 0.49 0.00 1.07 0.00 0.00 42.92 44.05 1x2q s ASP 46 CO 0.57 0.08 1.14 -0.90 1.18 0.00 0.00 175.17 177.24 1x2q n ASP 47 N 3.41 2.54 0.17 0.27 5.68 -1.26 -0.82 116.55 126.54 1x2q n ASP 47 Ca -0.20 -2.54 -0.14 0.00 -0.50 0.00 0.00 54.79 51.41 1x2q n ASP 47 Cb 0.53 -0.44 -0.08 0.00 -1.14 0.00 0.00 41.12 40.00 1x2q n ASP 47 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1x2q h SER 48 N 2.43 -0.29 -2.71 -1.12 0.02 -1.96 -3.41 113.55 106.51 1x2q h SER 48 Ca 0.01 0.01 -0.66 0.00 -0.84 0.00 0.00 61.79 60.31 1x2q h SER 48 Cb 1.36 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.91 1x2q h SER 48 CO 0.35 -0.21 -0.43 -0.62 -1.14 0.00 0.00 176.83 174.77 1x2q s ASP 49 N -4.89 6.46 0.31 3.07 -1.08 -1.26 -4.98 116.67 114.31 1x2q s ASP 49 Ca -0.15 0.55 0.17 0.00 -0.52 0.00 0.00 52.55 52.61 1x2q s ASP 49 Cb 0.05 -2.10 0.13 0.00 -1.46 0.00 0.00 42.92 39.54 1x2q s ASP 49 CO 0.64 0.39 1.46 0.00 0.52 0.00 0.00 175.17 178.19 1x2q h ALA 50 N 4.91 0.75 0.20 3.66 0.00 -2.00 -3.30 119.26 123.48 1x2q h ALA 50 Ca -0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 1x2q h ALA 50 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1x2q h ALA 50 CO 0.59 0.47 -0.10 -0.91 0.00 0.00 0.00 179.25 179.30 1x2q h ASN 51 N 0.00 -0.23 -4.01 0.00 2.35 -1.94 -3.36 115.58 108.39 1x2q h ASN 51 Ca -0.01 -0.24 -0.69 0.00 -0.55 0.00 0.00 56.30 54.82 1x2q h ASN 51 Cb 1.29 0.06 -0.22 0.00 0.05 0.00 0.00 38.32 39.49 1x2q h ASN 51 CO 0.05 0.14 -0.81 0.26 -1.65 0.00 0.00 177.43 175.41 1x2q s TRP 52 N -4.65 2.53 -0.06 1.19 0.52 -1.24 -4.13 118.94 113.10 1x2q s TRP 52 Ca -0.14 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 55.73 1x2q s TRP 52 Cb 0.02 -1.46 0.01 0.00 -1.15 0.00 0.00 33.47 30.89 1x2q s TRP 52 CO 0.58 0.24 -0.13 -1.58 0.02 0.00 0.00 176.95 176.08 1x2q s TRP 53 N -0.91 1.48 -0.48 -1.98 0.52 0.34 -4.08 118.94 113.83 1x2q s TRP 53 Ca 0.14 -0.52 -0.18 0.00 0.02 0.00 0.00 56.10 55.57 1x2q s TRP 53 Cb -0.10 -1.06 0.06 0.00 -1.15 0.00 0.00 33.47 31.21 1x2q s TRP 53 CO 0.05 -0.25 0.53 0.21 0.02 0.00 0.00 176.95 177.51 1x2q s LYS 54 N 0.52 3.07 0.40 4.98 2.20 -0.00 -2.01 119.74 128.89 1x2q s LYS 54 Ca -0.12 -1.02 0.05 0.00 -0.36 0.00 0.00 55.97 54.52 1x2q s LYS 54 Cb -0.15 -4.09 -0.02 0.00 -1.51 0.00 0.00 37.83 32.06 1x2q s LYS 54 CO 0.03 -1.11 0.17 0.20 -0.36 0.00 0.00 175.35 174.28 1x2q s GLY 55 N 2.54 2.58 0.08 5.54 0.00 -1.21 0.63 107.32 117.48 1x2q s GLY 55 Ca 0.11 -1.39 0.04 0.00 0.00 0.00 0.00 44.72 43.49 1x2q s GLY 55 CO 0.10 -1.75 -0.12 1.85 0.00 0.00 0.00 173.10 173.19 1x2q s GLU 56 N -3.64 0.79 0.25 2.90 2.12 0.37 -2.77 118.70 118.71 1x2q s GLU 56 Ca 0.27 -1.00 -0.13 0.00 0.36 0.00 0.00 54.97 54.47 1x2q s GLU 56 Cb 0.02 -0.65 -0.00 0.00 0.26 0.00 0.00 34.13 33.76 1x2q s GLU 56 CO 0.18 0.13 0.48 0.54 -0.54 0.00 0.00 175.26 176.04 1x2q s ASN 57 N -1.98 -0.10 0.21 -1.70 2.20 0.17 0.19 114.94 113.93 1x2q s ASN 57 Ca -0.00 -0.92 -0.16 0.00 -0.94 0.00 0.00 52.86 50.84 1x2q s ASN 57 Cb -0.07 0.59 0.21 0.00 -2.00 0.00 0.00 41.25 39.97 1x2q s ASN 57 CO 0.01 -1.14 1.40 1.57 -2.94 0.00 0.00 177.10 176.00 1x2q n HIS 58 N -0.38 0.01 -0.22 1.54 -0.00 -1.26 0.19 115.22 115.10 1x2q n HIS 58 Ca -0.02 1.11 0.02 0.00 -0.00 0.00 0.00 57.72 58.84 1x2q n HIS 58 Cb 0.62 -0.83 0.14 0.00 -0.00 0.00 0.00 29.99 29.92 1x2q n HIS 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x2q h ARG 59 N 0.00 0.31 0.00 1.57 3.08 -1.95 -3.48 114.38 113.91 1x2q h ARG 59 Ca 0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1x2q h ARG 59 Cb 0.53 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1x2q h ARG 59 CO -0.89 0.21 0.00 0.41 -1.07 0.00 0.00 179.97 178.62 1x2q n GLY 60 N -1.32 0.11 3.94 0.04 0.00 0.51 -5.09 105.19 103.36 1x2q n GLY 60 Ca 0.11 -1.30 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 1x2q n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x2q s ILE 61 N -3.49 4.68 0.00 -0.61 1.01 -1.26 0.41 121.20 121.95 1x2q s ILE 61 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1x2q s ILE 61 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1x2q s ILE 61 CO 0.00 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.27 1x2q n GLY 62 N -1.41 1.61 3.86 6.18 0.00 -1.12 -4.70 105.19 109.62 1x2q n GLY 62 Ca -0.06 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1x2q n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2q s LEU 63 N 0.00 4.13 0.04 0.99 2.01 -1.23 -3.33 118.68 121.29 1x2q s LEU 63 Ca 0.00 1.08 -0.28 0.00 0.01 0.00 0.00 54.13 54.94 1x2q s LEU 63 Cb 0.00 -3.85 0.09 0.00 0.01 0.00 0.00 46.19 42.44 1x2q s LEU 63 CO 0.00 -0.13 0.94 0.72 1.01 0.00 0.00 176.35 178.90 1x2q s PHE 64 N -1.88 -0.25 0.24 0.29 -0.71 -0.85 0.19 117.98 115.01 1x2q s PHE 64 Ca 0.50 0.06 -0.30 0.00 -1.04 0.00 0.00 56.93 56.16 1x2q s PHE 64 Cb -0.11 0.57 -0.09 0.00 -1.21 0.00 0.00 43.02 42.19 1x2q s PHE 64 CO 0.19 -0.62 1.09 -1.25 -1.34 0.00 0.00 175.22 173.30 1x2q s PRO 65 N -3.12 4.63 0.00 1.99 0.04 -1.26 0.13 135.00 137.41 1x2q s PRO 65 Ca 0.08 1.76 0.24 0.00 0.04 0.00 0.00 61.00 63.12 1x2q s PRO 65 Cb -0.01 -3.23 1.07 0.00 0.04 0.00 0.00 34.50 32.38 1x2q s PRO 65 CO -0.05 0.18 1.78 0.43 0.04 0.00 0.00 177.00 179.38 1x2q n SER 66 N 1.64 0.00 -1.41 6.66 7.64 -1.26 -2.60 113.62 124.28 1x2q n SER 66 Ca 0.00 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1x2q n SER 66 Cb 0.45 -0.45 0.21 0.00 -1.01 0.00 0.00 64.21 63.41 1x2q n SER 66 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x2q n ASN 67 N -1.45 3.73 0.00 6.43 5.15 -1.26 -3.49 115.26 124.37 1x2q n ASN 67 Ca 0.07 -2.64 0.00 0.00 -0.60 0.00 0.00 54.58 51.41 1x2q n ASN 67 Cb 0.26 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 1x2q n ASN 67 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1x2q n PHE 68 N 0.19 0.00 -4.46 1.20 3.01 -1.07 -4.94 117.46 111.38 1x2q n PHE 68 Ca 0.21 -0.14 -0.25 0.00 1.01 0.00 0.00 57.45 58.28 1x2q n PHE 68 Cb 0.90 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 40.28 1x2q n PHE 68 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1x2q s VAL 69 N -0.28 0.35 -0.03 -4.37 -7.23 -1.23 0.34 120.40 107.96 1x2q s VAL 69 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1x2q s VAL 69 Cb 0.00 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.64 1x2q s VAL 69 CO 0.00 0.00 -0.00 0.28 -0.31 0.00 0.00 175.10 175.07 1x2q s THR 70 N -3.23 0.17 -0.73 5.32 -1.32 -0.14 -4.74 115.64 110.98 1x2q s THR 70 Ca 0.27 0.07 -0.07 0.00 -1.21 0.00 0.00 61.69 60.75 1x2q s THR 70 Cb 0.01 -0.25 -0.06 0.00 -1.51 0.00 0.00 72.50 70.69 1x2q s THR 70 CO 0.19 0.13 1.89 0.35 -2.21 0.00 0.00 174.62 174.97 1x2q n THR 71 N 4.00 1.91 0.00 5.08 -2.24 -1.26 -2.44 114.28 119.32 1x2q n THR 71 Ca -0.25 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1x2q n THR 71 Cb 0.51 -2.04 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 1x2q n THR 71 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1x2q n ASN 72 N 4.77 0.00 -4.48 3.42 2.85 -1.26 -5.05 115.26 115.51 1x2q n ASN 72 Ca 0.37 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.62 1x2q n ASN 72 Cb 0.14 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.06 1x2q n ASN 72 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x2q n LEU 73 N 0.00 2.03 0.00 1.20 4.77 -1.26 -4.46 117.00 119.28 1x2q n LEU 73 Ca 0.00 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 1x2q n LEU 73 Cb 0.00 -1.64 0.00 0.00 -2.33 0.00 0.00 43.42 39.45 1x2q n LEU 73 CO 0.00 -2.81 0.00 -0.46 -1.33 0.00 0.00 177.39 172.79 1x2q n ASN 74 N 16.93 0.00 -4.52 -1.43 6.94 -1.26 -5.04 115.26 126.88 1x2q n ASN 74 Ca 0.43 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.56 1x2q n ASN 74 Cb 0.46 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.83 1x2q n ASN 74 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1x2q s ILE 75 N -2.00 4.67 0.13 1.53 1.01 -1.26 -4.96 121.20 120.32 1x2q s ILE 75 Ca 0.00 0.21 -0.34 0.00 0.00 0.00 0.00 60.65 60.52 1x2q s ILE 75 Cb 0.00 -4.33 -0.17 0.00 0.01 0.00 0.00 42.46 37.96 1x2q s ILE 75 CO 0.00 -0.78 0.99 -1.84 0.00 0.00 0.00 174.94 173.32 1x2q n GLU 76 N 6.68 0.56 -3.90 2.79 0.28 -1.26 -4.96 120.64 120.82 1x2q n GLU 76 Ca 0.00 0.20 -0.16 0.00 -0.16 0.00 0.00 57.16 57.04 1x2q n GLU 76 Cb 0.48 -1.59 -0.16 0.00 1.43 0.00 0.00 31.44 31.60 1x2q n GLU 76 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1x2q s THR 77 N -0.31 0.12 0.47 3.84 2.01 -1.26 -5.13 115.64 115.38 1x2q s THR 77 Ca 0.77 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.61 1x2q s THR 77 Cb -1.00 -0.21 -0.07 0.00 0.01 0.00 0.00 72.50 71.23 1x2q s THR 77 CO 0.54 0.12 1.36 -1.61 -0.69 0.00 0.00 174.62 174.34 1x2q s GLU 78 N 0.87 3.60 -0.33 4.92 2.02 -1.26 -4.99 118.70 123.53 1x2q s GLU 78 Ca -0.08 2.25 -0.05 0.00 0.02 0.00 0.00 54.97 57.10 1x2q s GLU 78 Cb -0.12 -2.54 0.19 0.00 0.10 0.00 0.00 34.13 31.76 1x2q s GLU 78 CO -0.02 -0.82 0.94 0.00 0.02 0.00 0.00 175.26 175.37 1x2q s ALA 79 N -1.27 -3.81 -0.05 5.21 0.00 -1.26 -5.16 121.76 115.42 1x2q s ALA 79 Ca 0.63 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.70 1x2q s ALA 79 Cb -0.40 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1x2q s ALA 79 CO 0.50 -2.30 -0.10 0.00 0.00 0.00 0.00 175.76 173.86 1x2q s ALA 80 N 2.25 2.83 -0.24 0.00 0.00 -1.26 -5.10 121.76 120.25 1x2q s ALA 80 Ca 0.18 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1x2q s ALA 80 Cb -0.00 -1.09 0.12 0.00 0.00 0.00 0.00 23.12 22.14 1x2q s ALA 80 CO -0.16 0.57 0.29 0.00 0.00 0.00 0.00 175.76 176.45 1x2q s ALA 81 N -0.79 -0.56 0.18 0.00 0.00 -1.26 -5.01 121.76 114.32 1x2q s ALA 81 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1x2q s ALA 81 Cb -0.11 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1x2q s ALA 81 CO 0.01 -1.36 0.00 0.28 0.00 0.00 0.00 175.76 174.70 1x2q n VAL 82 N 5.33 0.41 -3.52 0.00 0.31 -1.26 -5.01 118.33 114.60 1x2q n VAL 82 Ca -0.04 0.14 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 1x2q n VAL 82 Cb 0.49 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.49 1x2q n VAL 82 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1x2q s SER 83 N -5.23 5.78 0.00 4.52 0.01 -1.26 -4.95 113.70 112.57 1x2q s SER 83 Ca 0.00 -1.85 0.00 0.00 1.31 0.00 0.00 55.95 55.41 1x2q s SER 83 Cb 0.00 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1x2q s SER 83 CO 0.00 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.56 1x2q n GLY 84 N 4.96 -1.21 2.98 3.44 0.00 -1.26 -5.04 105.19 109.07 1x2q n GLY 84 Ca -0.09 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1x2q n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2q n PRO 85 N 0.00 2.16 -4.23 1.61 -0.04 -1.26 -4.83 135.00 128.42 1x2q n PRO 85 Ca 0.00 -2.26 -0.14 0.00 -0.04 0.00 0.00 63.50 61.06 1x2q n PRO 85 Cb 0.00 -3.14 -0.09 0.00 -0.04 0.00 0.00 33.50 30.23 1x2q n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x2q s SER 86 N 4.25 0.64 0.62 3.54 0.15 -1.26 -5.11 113.70 116.54 1x2q s SER 86 Ca 0.53 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1x2q s SER 86 Cb 0.13 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1x2q s SER 86 CO 0.03 -0.91 0.00 -1.20 1.20 0.00 0.00 173.24 172.36 1x2q n SER 87 N -0.67 -8.16 0.00 5.45 7.64 -1.26 -5.13 113.62 111.49 1x2q n SER 87 Ca 0.04 1.44 0.00 0.00 1.01 0.00 0.00 58.87 61.36 1x2q n SER 87 Cb 0.65 -5.06 0.00 0.00 -1.01 0.00 0.00 64.21 58.79 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64