#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 0.28 0.43 1.61 0.01 -1.26 -5.12 113.70 109.65 1x2q s SER 2 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1x2q s SER 2 Cb 0.00 1.15 0.00 0.00 0.21 0.00 0.00 66.02 67.38 1x2q s SER 2 CO 0.00 -0.35 0.00 -1.54 0.41 0.00 0.00 173.24 171.76 1x2q n SER 3 N 5.36 -7.57 -2.86 2.44 3.41 -1.26 -4.89 113.62 108.24 1x2q n SER 3 Ca 0.01 0.91 -0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1x2q n SER 3 Cb 0.50 -4.31 0.09 0.00 -0.26 0.00 0.00 64.21 60.23 1x2q n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x2q n GLY 4 N -4.01 -1.85 2.11 5.00 0.00 -1.26 -5.04 105.19 100.14 1x2q n GLY 4 Ca -0.03 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1x2q n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x2q n SER 5 N -3.54 -2.12 -0.02 1.61 2.88 -1.26 -5.03 113.62 106.14 1x2q n SER 5 Ca 0.07 0.64 -0.05 0.00 -1.33 0.00 0.00 58.87 58.19 1x2q n SER 5 Cb 0.25 2.09 -0.02 0.00 -0.75 0.00 0.00 64.21 65.78 1x2q n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x2q n SER 6 N -3.35 1.36 -4.55 -3.46 7.64 -1.26 -4.91 113.62 105.09 1x2q n SER 6 Ca 0.00 0.21 -0.39 0.00 1.01 0.00 0.00 58.87 59.70 1x2q n SER 6 Cb 0.00 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 1x2q n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x2q s GLY 7 N -4.51 0.43 0.42 0.23 0.00 -1.26 -4.97 107.32 97.66 1x2q s GLY 7 Ca -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 1x2q s GLY 7 CO 0.18 3.17 0.65 -0.45 0.00 0.00 0.00 173.10 176.65 1x2q s SER 8 N 6.68 6.11 0.08 1.64 0.15 -1.26 -4.88 113.70 122.21 1x2q s SER 8 Ca 0.57 0.50 -0.36 0.00 0.70 0.00 0.00 55.95 57.36 1x2q s SER 8 Cb -0.11 -1.90 -0.15 0.00 -1.71 0.00 0.00 66.02 62.16 1x2q s SER 8 CO 0.17 -0.51 1.51 -0.62 1.20 0.00 0.00 173.24 174.98 1x2q n GLU 9 N -2.01 1.65 -1.70 5.44 1.02 -1.26 -4.87 120.64 118.91 1x2q n GLU 9 Ca -0.01 0.60 -0.39 0.00 -0.02 0.00 0.00 57.16 57.34 1x2q n GLU 9 Cb 0.56 -2.31 0.04 0.00 -0.02 0.00 0.00 31.44 29.72 1x2q n GLU 9 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1x2q n ILE 10 N 3.24 3.66 -2.73 -3.67 -5.35 -1.26 -4.96 119.36 108.29 1x2q n ILE 10 Ca 0.19 -0.50 -0.09 0.00 -0.27 0.00 0.00 62.75 62.08 1x2q n ILE 10 Cb 0.24 -1.49 0.09 0.00 -1.74 0.00 0.00 39.64 36.74 1x2q n ILE 10 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x2q n GLN 11 N -0.89 0.99 -0.05 6.28 0.00 -1.26 -5.01 117.38 117.44 1x2q n GLN 11 Ca 0.11 -1.90 -0.01 0.00 0.00 0.00 0.00 57.00 55.21 1x2q n GLN 11 Cb 0.45 -1.05 -0.00 0.00 0.00 0.00 0.00 30.24 29.63 1x2q n GLN 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1x2q h LEU 12 N 3.07 0.00 -8.10 2.61 6.46 -2.01 -3.48 115.31 113.86 1x2q h LEU 12 Ca -0.11 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.38 1x2q h LEU 12 Cb 1.10 0.00 -0.22 0.00 -0.73 0.00 0.00 40.66 40.80 1x2q h LEU 12 CO 0.14 0.47 -0.73 0.20 -0.62 0.00 0.00 178.44 177.90 1x2q s ASN 13 N -5.25 0.74 -1.03 1.25 -0.87 -1.26 -5.06 114.94 103.46 1x2q s ASN 13 Ca -0.02 -0.47 -0.24 0.00 -1.57 0.00 0.00 52.86 50.56 1x2q s ASN 13 Cb 0.00 0.03 -0.11 0.00 -0.02 0.00 0.00 41.25 41.15 1x2q s ASN 13 CO 0.03 -0.17 2.03 0.20 -2.57 0.00 0.00 177.10 176.62 1x2q s ASN 14 N -1.33 4.64 0.09 -1.22 -0.87 -1.26 -4.87 114.94 110.13 1x2q s ASN 14 Ca -0.09 -1.03 0.08 0.00 -1.57 0.00 0.00 52.86 50.25 1x2q s ASN 14 Cb -0.09 -2.58 -0.03 0.00 -0.02 0.00 0.00 41.25 38.53 1x2q s ASN 14 CO 0.00 -3.37 -0.20 -0.54 -2.57 0.00 0.00 177.10 170.42 1x2q s LYS 15 N 7.28 1.11 -0.24 -0.60 1.02 -1.26 -5.13 119.74 121.92 1x2q s LYS 15 Ca 0.74 -1.12 -0.07 0.00 0.02 0.00 0.00 55.97 55.54 1x2q s LYS 15 Cb -0.05 -1.33 -0.03 0.00 -0.52 0.00 0.00 37.83 35.90 1x2q s LYS 15 CO 0.09 0.31 0.06 0.14 -0.92 0.00 0.00 175.35 175.03 1x2q s VAL 16 N -1.15 4.31 0.29 3.17 -7.23 -1.26 -5.09 120.40 113.44 1x2q s VAL 16 Ca 0.06 -0.18 0.06 0.00 -1.81 0.00 0.00 61.98 60.11 1x2q s VAL 16 Cb -0.10 -3.00 -0.06 0.00 0.56 0.00 0.00 36.38 33.78 1x2q s VAL 16 CO 0.04 0.36 -0.03 0.00 -0.31 0.00 0.00 175.10 175.16 1x2q s ALA 17 N 1.42 2.32 -0.64 1.32 0.00 -1.26 -5.10 121.76 119.82 1x2q s ALA 17 Ca 0.05 -1.93 -0.21 0.00 0.00 0.00 0.00 51.96 49.87 1x2q s ALA 17 Cb -0.15 0.31 0.08 0.00 0.00 0.00 0.00 23.12 23.36 1x2q s ALA 17 CO 0.03 -0.14 0.88 0.50 0.00 0.00 0.00 175.76 177.03 1x2q s ARG 18 N -3.77 3.09 0.34 0.00 3.52 -1.24 -4.98 118.95 115.90 1x2q s ARG 18 Ca 0.31 -0.99 -0.10 0.00 -0.13 0.00 0.00 55.73 54.82 1x2q s ARG 18 Cb 0.05 -4.24 -0.07 0.00 -1.56 0.00 0.00 34.95 29.13 1x2q s ARG 18 CO 0.12 -1.72 0.69 0.15 -0.81 0.00 0.00 175.30 173.73 1x2q s LYS 19 N 3.60 3.80 -0.05 5.12 1.02 -1.26 0.19 119.74 132.16 1x2q s LYS 19 Ca 0.19 0.39 -0.13 0.00 0.02 0.00 0.00 55.97 56.44 1x2q s LYS 19 Cb -0.19 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1x2q s LYS 19 CO 0.09 0.10 0.30 0.14 -0.92 0.00 0.00 175.35 175.05 1x2q s VAL 20 N -2.17 0.04 -0.23 3.17 -7.23 0.99 -4.58 120.40 110.39 1x2q s VAL 20 Ca 0.50 -0.34 -0.08 0.00 -1.81 0.00 0.00 61.98 60.24 1x2q s VAL 20 Cb -0.10 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.25 1x2q s VAL 20 CO 0.27 -0.19 0.10 -0.60 -0.31 0.00 0.00 175.10 174.37 1x2q s ARG 21 N -0.85 3.88 0.17 4.82 6.06 -1.07 0.59 118.95 132.56 1x2q s ARG 21 Ca -0.09 -0.37 -0.32 0.00 -2.50 0.00 0.00 55.73 52.45 1x2q s ARG 21 Cb -0.04 -3.38 -0.11 0.00 0.06 0.00 0.00 34.95 31.48 1x2q s ARG 21 CO 0.03 0.01 1.67 0.00 -2.50 0.00 0.00 175.30 174.50 1x2q s ALA 22 N 1.13 3.84 -0.12 6.12 0.00 0.63 -1.03 121.76 132.33 1x2q s ALA 22 Ca 0.05 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.50 1x2q s ALA 22 Cb -0.14 -3.67 -0.24 0.00 0.00 0.00 0.00 23.12 19.07 1x2q s ALA 22 CO 0.04 -0.91 0.34 1.28 0.00 0.00 0.00 175.76 176.51 1x2q n LEU 23 N 4.27 1.92 -4.35 0.00 4.77 0.12 0.16 117.00 123.88 1x2q n LEU 23 Ca 0.15 0.20 -0.18 0.00 -0.03 0.00 0.00 56.01 56.15 1x2q n LEU 23 Cb 0.37 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1x2q n LEU 23 CO 0.63 0.70 -0.37 -0.31 -1.33 0.00 0.00 177.39 176.70 1x2q s TYR 24 N -2.56 1.68 -0.41 -1.77 2.02 -1.22 -4.64 117.35 110.45 1x2q s TYR 24 Ca -0.18 -0.76 -0.26 0.00 -0.37 0.00 0.00 57.07 55.51 1x2q s TYR 24 Cb 0.07 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.73 1x2q s TYR 24 CO 0.77 0.16 0.93 0.16 -1.57 0.00 0.00 175.55 175.99 1x2q s ASP 25 N -3.33 6.60 0.10 2.29 -4.77 -1.26 -3.40 116.67 112.89 1x2q s ASP 25 Ca 0.26 0.39 0.03 0.00 -3.30 0.00 0.00 52.55 49.93 1x2q s ASP 25 Cb 0.03 -2.46 -0.04 0.00 -1.09 0.00 0.00 42.92 39.37 1x2q s ASP 25 CO 0.08 -0.94 0.10 0.12 0.70 0.00 0.00 175.17 175.23 1x2q s PHE 26 N 3.60 3.20 -0.14 2.11 5.36 0.33 -4.89 117.98 127.55 1x2q s PHE 26 Ca 0.38 0.07 -0.04 0.00 -0.96 0.00 0.00 56.93 56.37 1x2q s PHE 26 Cb -0.11 -1.61 0.05 0.00 -0.34 0.00 0.00 43.02 41.02 1x2q s PHE 26 CO 0.22 0.52 0.08 -1.21 -1.46 0.00 0.00 175.22 173.37 1x2q s GLU 27 N -2.55 0.04 0.16 10.12 2.02 -1.26 -2.22 118.70 125.01 1x2q s GLU 27 Ca 0.30 0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 1x2q s GLU 27 Cb -0.12 -1.48 -0.17 0.00 0.10 0.00 0.00 34.13 32.46 1x2q s GLU 27 CO 0.23 -0.58 0.65 0.00 0.02 0.00 0.00 175.26 175.58 1x2q n ALA 28 N 5.28 -2.92 -0.04 5.21 0.00 -1.14 -4.87 120.51 122.02 1x2q n ALA 28 Ca -0.06 0.47 -0.05 0.00 0.00 0.00 0.00 53.44 53.80 1x2q n ALA 28 Cb 0.49 -1.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 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 0.32 0.60 -2.70 0.00 3.14 -1.26 -5.02 118.33 113.41 1x2q n VAL 29 Ca 0.18 -0.36 -0.03 0.00 -2.96 0.00 0.00 64.34 61.18 1x2q n VAL 29 Cb 0.22 -0.78 0.01 0.00 -1.06 0.00 0.00 33.84 32.23 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 -2.38 0.77 -1.32 1.45 1.02 -1.26 -5.00 120.64 113.92 1x2q n GLU 30 Ca -0.15 -0.37 -0.34 0.00 -0.02 0.00 0.00 57.16 56.29 1x2q n GLU 30 Cb 0.78 -0.05 0.09 0.00 -0.02 0.00 0.00 31.44 32.23 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 -2.95 7.25 -2.30 1.62 8.00 -1.26 -4.20 116.55 122.72 1x2q n ASP 31 Ca 0.02 -3.77 -0.02 0.00 0.71 0.00 0.00 54.79 51.73 1x2q n ASP 31 Cb 0.07 -0.96 -0.01 0.00 -0.02 0.00 0.00 41.12 40.20 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 -0.95 -0.77 -4.66 -2.24 6.94 -1.26 -5.16 115.26 107.16 1x2q n ASN 32 Ca 0.63 -1.43 -0.29 0.00 -0.02 0.00 0.00 54.58 53.46 1x2q n ASN 32 Cb 0.78 0.68 -0.10 0.00 -2.36 0.00 0.00 39.78 38.78 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 0.02 2.03 -0.13 -3.83 2.02 -1.26 -3.38 118.70 114.17 1x2q s GLU 33 Ca 0.02 -2.17 -0.10 0.00 0.02 0.00 0.00 54.97 52.73 1x2q s GLU 33 Cb 0.04 -1.63 -0.05 0.00 0.10 0.00 0.00 34.13 32.59 1x2q s GLU 33 CO -0.01 -0.14 0.21 -1.17 0.02 0.00 0.00 175.26 174.17 1x2q s LEU 34 N -3.77 4.33 -0.29 1.80 0.20 0.43 -4.14 118.68 117.24 1x2q s LEU 34 Ca 0.28 0.48 0.01 0.00 0.69 0.00 0.00 54.13 55.59 1x2q s LEU 34 Cb 0.07 -2.21 0.06 0.00 -0.43 0.00 0.00 46.19 43.69 1x2q s LEU 34 CO 0.14 0.27 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.56 1x2q s THR 35 N -0.37 2.59 0.20 3.68 2.01 -1.26 -2.87 115.64 119.62 1x2q s THR 35 Ca 0.15 -1.62 -0.08 0.00 0.31 0.00 0.00 61.69 60.45 1x2q s THR 35 Cb -0.13 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1x2q s THR 35 CO 0.04 -0.15 0.30 0.72 -0.69 0.00 0.00 174.62 174.84 1x2q s PHE 36 N 1.15 0.63 0.49 4.92 -0.12 -0.94 -4.80 117.98 119.30 1x2q s PHE 36 Ca -0.05 -0.95 0.06 0.00 -0.05 0.00 0.00 56.93 55.94 1x2q s PHE 36 Cb -0.20 -0.13 0.06 0.00 -0.63 0.00 0.00 43.02 42.11 1x2q s PHE 36 CO -0.04 -0.79 0.46 1.63 -0.05 0.00 0.00 175.22 176.44 1x2q n LYS 37 N -0.28 0.74 -2.76 1.99 4.01 -1.26 -0.51 118.16 120.09 1x2q n LYS 37 Ca -0.02 -2.93 -0.42 0.00 -0.51 0.00 0.00 58.31 54.43 1x2q n LYS 37 Cb 0.63 0.17 -0.03 0.00 -0.51 0.00 0.00 35.03 35.29 1x2q n LYS 37 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 1x2q s HIS 38 N -2.32 3.61 0.00 2.13 -3.43 -1.22 -3.67 115.29 110.39 1x2q s HIS 38 Ca 0.35 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.21 1x2q s HIS 38 Cb -0.03 -3.09 0.00 0.00 -1.43 0.00 0.00 32.58 28.03 1x2q s HIS 38 CO 0.22 -0.04 0.00 0.41 -2.00 0.00 0.00 174.74 173.33 1x2q n GLY 39 N 2.98 3.13 3.39 -1.38 0.00 0.41 -4.93 105.19 108.80 1x2q n GLY 39 Ca 0.05 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 0.33 -3.46 1.61 1.02 -1.24 -3.80 120.64 115.09 1x2q n GLU 40 Ca 0.00 0.12 -0.34 0.00 -0.02 0.00 0.00 57.16 56.92 1x2q n GLU 40 Cb 0.00 -1.32 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.61 4.97 -0.04 -3.67 -1.09 -1.26 -0.26 121.20 118.23 1x2q s ILE 41 Ca 0.62 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 1x2q s ILE 41 Cb -0.59 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 36.63 1x2q s ILE 41 CO 0.60 0.20 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.87 1x2q s ILE 42 N -1.50 0.31 -0.46 2.92 1.09 0.20 -4.56 121.20 119.19 1x2q s ILE 42 Ca 0.38 0.04 -0.22 0.00 -1.10 0.00 0.00 60.65 59.75 1x2q s ILE 42 Cb -0.14 -0.40 0.03 0.00 -1.06 0.00 0.00 42.46 40.89 1x2q s ILE 42 CO 0.19 0.19 0.73 -0.63 -0.10 0.00 0.00 174.94 175.32 1x2q s ILE 43 N 1.19 4.72 -0.10 2.92 1.09 0.31 -0.01 121.20 131.32 1x2q s ILE 43 Ca -0.07 0.21 -0.30 0.00 -1.10 0.00 0.00 60.65 59.39 1x2q s ILE 43 Cb -0.14 -4.29 -0.03 0.00 -1.06 0.00 0.00 42.46 36.94 1x2q s ILE 43 CO -0.02 -0.71 1.34 -0.69 -0.10 0.00 0.00 174.94 174.76 1x2q s VAL 44 N 3.10 4.06 -0.18 2.92 1.01 0.49 0.12 120.40 131.92 1x2q s VAL 44 Ca 0.26 1.33 -0.13 0.00 0.00 0.00 0.00 61.98 63.45 1x2q s VAL 44 Cb -0.14 -3.86 -0.21 0.00 0.00 0.00 0.00 36.38 32.17 1x2q s VAL 44 CO 0.20 -0.08 0.17 0.18 0.00 0.00 0.00 175.10 175.58 1x2q n LEU 45 N 6.23 2.29 -3.99 3.92 4.77 0.18 -3.73 117.00 126.68 1x2q n LEU 45 Ca 0.14 0.27 -0.19 0.00 -0.03 0.00 0.00 56.01 56.20 1x2q n LEU 45 Cb 0.45 -1.01 -0.15 0.00 -2.33 0.00 0.00 43.42 40.37 1x2q n LEU 45 CO 0.57 0.61 -0.43 -1.81 -1.33 0.00 0.00 177.39 175.00 1x2q s ASP 46 N -6.97 1.02 -0.27 -1.43 1.01 -0.06 -5.03 116.67 104.93 1x2q s ASP 46 Ca -0.28 -0.15 0.19 0.00 0.71 0.00 0.00 52.55 53.02 1x2q s ASP 46 Cb 0.07 -0.23 0.50 0.00 1.01 0.00 0.00 42.92 44.27 1x2q s ASP 46 CO 0.65 0.06 1.13 -0.90 0.21 0.00 0.00 175.17 176.33 1x2q n ASP 47 N 3.19 2.41 0.08 0.27 5.68 -1.26 -1.43 116.55 125.49 1x2q n ASP 47 Ca -0.17 -2.46 -0.12 0.00 -0.50 0.00 0.00 54.79 51.55 1x2q n ASP 47 Cb 0.55 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 1x2q n ASP 47 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1x2q h SER 48 N 2.50 -0.24 -2.01 -1.12 0.87 -1.96 -3.43 113.55 108.17 1x2q h SER 48 Ca -0.01 0.03 -0.45 0.00 -1.23 0.00 0.00 61.79 60.13 1x2q h SER 48 Cb 1.34 0.09 0.01 0.00 -0.44 0.00 0.00 62.40 63.40 1x2q h SER 48 CO 0.33 -0.14 -0.32 -0.62 -0.53 0.00 0.00 176.83 175.55 1x2q s ASP 49 N -5.04 6.01 -0.19 6.23 -1.08 -1.26 -5.03 116.67 116.32 1x2q s ASP 49 Ca -0.14 -0.07 0.16 0.00 -0.52 0.00 0.00 52.55 51.98 1x2q s ASP 49 Cb 0.07 -1.38 -0.23 0.00 -1.46 0.00 0.00 42.92 39.91 1x2q s ASP 49 CO 0.66 -0.41 0.05 0.00 0.52 0.00 0.00 175.17 175.99 1x2q n ALA 50 N -1.67 1.52 0.17 3.66 0.00 -1.26 -4.46 120.51 118.48 1x2q n ALA 50 Ca -0.01 -1.26 -0.14 0.00 0.00 0.00 0.00 53.44 52.03 1x2q n ALA 50 Cb 0.58 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1x2q n ALA 50 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1x2q h ASN 51 N 0.00 -0.32 -4.03 0.00 -0.73 -1.95 -3.34 115.58 105.21 1x2q h ASN 51 Ca -0.52 -0.04 -0.69 0.00 1.87 0.00 0.00 56.30 56.92 1x2q h ASN 51 Cb 2.17 0.08 -0.23 0.00 0.27 0.00 0.00 38.32 40.61 1x2q h ASN 51 CO 0.02 -0.17 -0.82 0.26 -0.37 0.00 0.00 177.43 176.35 1x2q s TRP 52 N -5.84 2.51 -0.05 0.67 0.52 -1.26 -4.11 118.94 111.37 1x2q s TRP 52 Ca -0.15 -0.29 0.02 0.00 0.02 0.00 0.00 56.10 55.70 1x2q s TRP 52 Cb 0.04 -1.44 0.01 0.00 -1.15 0.00 0.00 33.47 30.93 1x2q s TRP 52 CO 0.63 0.23 -0.10 -1.58 0.02 0.00 0.00 176.95 176.15 1x2q s TRP 53 N -0.91 1.23 -0.45 -1.98 0.52 0.30 -4.23 118.94 113.42 1x2q s TRP 53 Ca 0.14 -0.42 -0.19 0.00 0.02 0.00 0.00 56.10 55.66 1x2q s TRP 53 Cb -0.10 -0.93 0.04 0.00 -1.15 0.00 0.00 33.47 31.33 1x2q s TRP 53 CO 0.05 -0.23 0.55 0.21 0.02 0.00 0.00 176.95 177.54 1x2q s LYS 54 N 0.66 3.14 0.38 4.98 2.20 -0.51 -2.06 119.74 128.53 1x2q s LYS 54 Ca -0.12 -0.72 0.05 0.00 -0.36 0.00 0.00 55.97 54.81 1x2q s LYS 54 Cb -0.15 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.14 1x2q s LYS 54 CO 0.03 -1.01 0.17 0.20 -0.36 0.00 0.00 175.35 174.37 1x2q s GLY 55 N 2.15 2.52 0.03 5.54 0.00 -1.21 0.51 107.32 116.87 1x2q s GLY 55 Ca 0.15 -1.46 0.03 0.00 0.00 0.00 0.00 44.72 43.44 1x2q s GLY 55 CO 0.14 -1.72 -0.09 1.85 0.00 0.00 0.00 173.10 173.28 1x2q s GLU 56 N -3.65 0.61 0.22 2.90 -6.30 0.32 -2.79 118.70 110.02 1x2q s GLU 56 Ca 0.28 -0.60 -0.07 0.00 -2.50 0.00 0.00 54.97 52.08 1x2q s GLU 56 Cb 0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 34.13 33.62 1x2q s GLU 56 CO 0.18 0.12 0.31 0.54 0.02 0.00 0.00 175.26 176.43 1x2q s ASN 57 N -1.05 0.03 0.21 -1.70 2.20 0.20 0.11 114.94 114.93 1x2q s ASN 57 Ca -0.03 -1.15 -0.17 0.00 -0.94 0.00 0.00 52.86 50.56 1x2q s ASN 57 Cb -0.07 0.48 0.19 0.00 -2.00 0.00 0.00 41.25 39.86 1x2q s ASN 57 CO 0.00 -0.99 1.43 0.00 -2.94 0.00 0.00 177.10 174.60 1x2q n HIS 58 N -0.33 -0.02 -0.24 1.54 1.44 -1.26 0.19 115.22 116.54 1x2q n HIS 58 Ca 0.00 1.14 0.05 0.00 -2.01 0.00 0.00 57.72 56.89 1x2q n HIS 58 Cb 0.64 -0.82 0.17 0.00 0.12 0.00 0.00 29.99 30.10 1x2q n HIS 58 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x2q h ARG 59 N 0.00 0.35 0.00 -1.40 3.08 -1.96 -3.48 114.38 110.97 1x2q h ARG 59 Ca 0.30 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1x2q h ARG 59 Cb 0.53 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1x2q h ARG 59 CO -0.91 0.23 0.00 0.41 -1.07 0.00 0.00 179.97 178.63 1x2q n GLY 60 N -1.33 0.11 3.95 0.04 0.00 0.51 -5.10 105.19 103.36 1x2q n GLY 60 Ca 0.13 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.48 4.12 0.00 -0.61 1.09 -1.26 0.59 121.20 121.65 1x2q s ILE 61 Ca 0.00 -1.10 0.00 0.00 -1.10 0.00 0.00 60.65 58.45 1x2q s ILE 61 Cb 0.00 -3.42 0.00 0.00 -1.06 0.00 0.00 42.46 37.98 1x2q s ILE 61 CO 0.00 -0.19 0.00 0.61 -0.10 0.00 0.00 174.94 175.26 1x2q n GLY 62 N -1.52 1.93 3.87 6.18 0.00 -1.12 -4.66 105.19 109.87 1x2q n GLY 62 Ca -0.02 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 4.07 0.00 0.99 2.01 -1.22 -3.29 118.68 121.25 1x2q s LEU 63 Ca 0.00 1.06 -0.29 0.00 0.01 0.00 0.00 54.13 54.91 1x2q s LEU 63 Cb 0.00 -3.86 0.10 0.00 0.01 0.00 0.00 46.19 42.44 1x2q s LEU 63 CO 0.00 -0.18 0.96 0.72 1.01 0.00 0.00 176.35 178.85 1x2q s PHE 64 N -1.99 -0.26 0.18 0.29 -0.71 -0.87 0.16 117.98 114.78 1x2q s PHE 64 Ca 0.50 0.11 -0.30 0.00 -1.04 0.00 0.00 56.93 56.20 1x2q s PHE 64 Cb -0.11 0.56 -0.08 0.00 -1.21 0.00 0.00 43.02 42.18 1x2q s PHE 64 CO 0.22 -0.55 1.12 -1.25 -1.34 0.00 0.00 175.22 173.42 1x2q s PRO 65 N -3.04 4.57 0.00 1.99 0.04 -1.26 0.11 135.00 137.41 1x2q s PRO 65 Ca 0.07 1.75 0.21 0.00 0.04 0.00 0.00 61.00 63.07 1x2q s PRO 65 Cb -0.01 -3.27 1.02 0.00 0.04 0.00 0.00 34.50 32.29 1x2q s PRO 65 CO -0.06 0.05 1.66 -1.13 0.04 0.00 0.00 177.00 177.55 1x2q n SER 66 N 2.38 0.00 -0.62 6.66 3.41 -1.25 -1.95 113.62 122.25 1x2q n SER 66 Ca 0.03 0.06 0.07 0.00 -0.26 0.00 0.00 58.87 58.77 1x2q n SER 66 Cb 0.46 -0.31 0.23 0.00 -0.26 0.00 0.00 64.21 64.33 1x2q n SER 66 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1x2q n ASN 67 N -1.31 1.82 -0.56 4.04 3.02 -1.26 -3.37 115.26 117.63 1x2q n ASN 67 Ca 0.09 -1.90 0.06 0.00 -0.03 0.00 0.00 54.58 52.80 1x2q n ASN 67 Cb 0.18 -0.19 0.10 0.00 -0.61 0.00 0.00 39.78 39.26 1x2q n ASN 67 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1x2q n PHE 68 N 0.46 0.25 -4.34 3.10 3.01 -0.82 -4.93 117.46 114.19 1x2q n PHE 68 Ca 0.13 -0.26 -0.19 0.00 1.01 0.00 0.00 57.45 58.14 1x2q n PHE 68 Cb 0.31 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 39.67 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 -0.97 0.40 -0.05 -4.37 -7.23 -1.22 0.14 120.40 107.10 1x2q s VAL 69 Ca 0.19 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1x2q s VAL 69 Cb 0.11 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.54 1x2q s VAL 69 CO 0.15 0.00 -0.03 0.28 -0.31 0.00 0.00 175.10 175.19 1x2q s THR 70 N -3.61 0.49 -0.75 5.32 -1.32 -0.20 -4.78 115.64 110.80 1x2q s THR 70 Ca 0.35 -0.07 -0.07 0.00 -1.21 0.00 0.00 61.69 60.69 1x2q s THR 70 Cb 0.05 -0.55 -0.06 0.00 -1.51 0.00 0.00 72.50 70.44 1x2q s THR 70 CO 0.17 0.23 1.92 0.35 -2.21 0.00 0.00 174.62 175.07 1x2q n THR 71 N 4.27 1.97 0.00 5.08 -2.24 -1.26 -2.59 114.28 119.51 1x2q n THR 71 Ca -0.22 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 1x2q n THR 71 Cb 0.51 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 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 4.81 0.00 -0.16 3.42 2.85 -1.26 -5.04 115.26 119.88 1x2q n ASN 72 Ca 0.39 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.81 1x2q n ASN 72 Cb 0.15 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.18 1x2q n ASN 72 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1x2q h LEU 73 N 0.00 -1.00 -7.88 1.20 3.38 -1.85 -3.30 115.31 105.86 1x2q h LEU 73 Ca 0.00 0.20 -0.69 0.00 0.09 0.00 0.00 57.88 57.48 1x2q h LEU 73 Cb 0.00 0.50 -0.34 0.00 0.09 0.00 0.00 40.66 40.91 1x2q h LEU 73 CO 0.00 -0.29 -0.59 0.20 0.09 0.00 0.00 178.44 177.85 1x2q s ASN 74 N -5.14 5.16 -0.47 -0.43 -0.87 -1.26 -4.84 114.94 107.09 1x2q s ASN 74 Ca -0.14 -1.84 -0.27 0.00 -1.57 0.00 0.00 52.86 49.03 1x2q s ASN 74 Cb 0.15 -1.80 -0.02 0.00 -0.02 0.00 0.00 41.25 39.56 1x2q s ASN 74 CO 0.69 -0.47 1.86 -0.63 -2.57 0.00 0.00 177.10 175.99 1x2q s ILE 75 N 1.17 3.40 0.49 0.60 1.09 -1.24 -4.63 121.20 122.06 1x2q s ILE 75 Ca 0.05 0.33 0.00 0.00 -1.10 0.00 0.00 60.65 59.93 1x2q s ILE 75 Cb -0.22 -3.75 0.00 0.00 -1.06 0.00 0.00 42.46 37.43 1x2q s ILE 75 CO -0.03 -0.63 0.00 1.21 -0.10 0.00 0.00 174.94 175.39 1x2q n GLU 76 N 8.81 -3.57 -3.77 2.79 2.13 -1.26 -4.90 120.64 120.88 1x2q n GLU 76 Ca 0.22 2.74 -0.30 0.00 0.66 0.00 0.00 57.16 60.49 1x2q n GLU 76 Cb 0.50 -3.34 -0.13 0.00 0.27 0.00 0.00 31.44 28.74 1x2q n GLU 76 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1x2q s THR 77 N -4.72 1.68 0.15 6.31 -4.23 -1.26 -5.10 115.64 108.47 1x2q s THR 77 Ca 0.00 -2.75 -0.32 0.00 -1.18 0.00 0.00 61.69 57.44 1x2q s THR 77 Cb 0.00 -2.17 -0.17 0.00 1.34 0.00 0.00 72.50 71.50 1x2q s THR 77 CO 0.00 -0.88 0.83 -1.84 -0.54 0.00 0.00 174.62 172.19 1x2q n GLU 78 N 3.42 0.36 -3.25 3.99 0.28 -1.26 -4.94 120.64 119.24 1x2q n GLU 78 Ca 0.08 0.13 -0.19 0.00 -0.16 0.00 0.00 57.16 57.02 1x2q n GLU 78 Cb 0.34 -1.39 -0.07 0.00 1.43 0.00 0.00 31.44 31.76 1x2q n GLU 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x2q s ALA 79 N -0.60 -0.01 0.14 -1.84 0.00 -1.26 -5.13 121.76 113.07 1x2q s ALA 79 Ca 0.72 -1.48 0.10 0.00 0.00 0.00 0.00 51.96 51.30 1x2q s ALA 79 Cb -0.98 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1x2q s ALA 79 CO 0.56 -2.10 -0.20 0.00 0.00 0.00 0.00 175.76 174.01 1x2q s ALA 80 N 0.76 2.61 0.47 0.00 0.00 -1.26 -5.14 121.76 119.19 1x2q s ALA 80 Ca 0.26 -1.46 0.07 0.00 0.00 0.00 0.00 51.96 50.83 1x2q s ALA 80 Cb -0.05 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.54 1x2q s ALA 80 CO -0.09 0.53 0.36 0.00 0.00 0.00 0.00 175.76 176.55 1x2q s ALA 81 N -1.31 4.12 -0.06 0.00 0.00 -1.26 -5.13 121.76 118.13 1x2q s ALA 81 Ca 0.18 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 1x2q s ALA 81 Cb -0.10 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1x2q s ALA 81 CO 0.10 -0.31 0.09 0.08 0.00 0.00 0.00 175.76 175.72 1x2q s VAL 82 N -2.62 4.94 0.04 0.00 1.01 -1.26 -5.11 120.40 117.40 1x2q s VAL 82 Ca 0.42 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.26 1x2q s VAL 82 Cb -0.01 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1x2q s VAL 82 CO 0.25 0.48 -0.11 -0.44 0.00 0.00 0.00 175.10 175.28 1x2q s SER 83 N -1.37 1.26 0.37 3.32 0.01 -1.26 -5.15 113.70 110.88 1x2q s SER 83 Ca 0.19 -0.47 -0.05 0.00 1.31 0.00 0.00 55.95 56.94 1x2q s SER 83 Cb -0.12 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 1x2q s SER 83 CO 0.09 -0.06 0.64 -0.83 0.41 0.00 0.00 173.24 173.50 1x2q s GLY 84 N -1.26 1.65 0.94 3.44 0.00 -1.26 -5.09 107.32 105.75 1x2q s GLY 84 Ca -0.03 -0.57 -0.13 0.00 0.00 0.00 0.00 44.72 43.99 1x2q s GLY 84 CO 0.01 -0.45 1.15 2.56 0.00 0.00 0.00 173.10 176.37 1x2q s PRO 85 N -4.08 0.89 0.14 2.90 0.04 -1.26 -5.03 135.00 128.60 1x2q s PRO 85 Ca 0.45 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1x2q s PRO 85 Cb -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1x2q s PRO 85 CO 0.35 -2.35 0.00 0.43 0.04 0.00 0.00 177.00 175.48 1x2q n SER 86 N -3.85 0.32 0.00 6.66 7.64 -1.26 -5.02 113.62 118.11 1x2q n SER 86 Ca 0.08 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1x2q n SER 86 Cb 0.59 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1x2q n SER 86 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x2q n SER 87 N -3.28 0.00 0.00 6.43 7.64 -1.26 -5.39 113.62 117.77 1x2q n SER 87 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x2q n SER 87 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64