#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 -0.20 -0.19 1.61 1.04 -1.26 -5.19 113.70 109.52 1x2q s SER 2 Ca 0.00 0.07 -0.32 0.00 0.48 0.00 0.00 55.95 56.18 1x2q s SER 2 Cb 0.00 0.19 0.15 0.00 0.10 0.00 0.00 66.02 66.46 1x2q s SER 2 CO 0.00 -0.29 1.16 -0.44 0.98 0.00 0.00 173.24 174.66 1x2q s SER 3 N -1.92 -0.19 0.05 7.02 0.01 -1.26 -5.19 113.70 112.22 1x2q s SER 3 Ca 0.07 0.13 -0.28 0.00 1.31 0.00 0.00 55.95 57.18 1x2q s SER 3 Cb -0.01 0.18 0.09 0.00 0.21 0.00 0.00 66.02 66.49 1x2q s SER 3 CO -0.05 -0.24 0.97 -0.83 0.41 0.00 0.00 173.24 173.50 1x2q s GLY 4 N -1.58 -0.35 -0.28 3.44 0.00 -1.26 -5.18 107.32 102.12 1x2q s GLY 4 Ca 0.06 0.63 -0.27 0.00 0.00 0.00 0.00 44.72 45.14 1x2q s GLY 4 CO -0.04 0.18 1.32 -1.35 0.00 0.00 0.00 173.10 173.22 1x2q s SER 5 N -2.71 -0.12 0.40 1.64 1.04 -1.26 -5.18 113.70 107.51 1x2q s SER 5 Ca 0.09 0.18 0.07 0.00 0.48 0.00 0.00 55.95 56.77 1x2q s SER 5 Cb -0.01 0.16 -0.08 0.00 0.10 0.00 0.00 66.02 66.20 1x2q s SER 5 CO -0.03 -0.07 -0.01 -0.55 0.98 0.00 0.00 173.24 173.55 1x2q s SER 6 N -0.50 3.82 -0.10 7.02 0.15 -1.26 -5.15 113.70 117.68 1x2q s SER 6 Ca 0.07 -1.34 -0.33 0.00 0.70 0.00 0.00 55.95 55.05 1x2q s SER 6 Cb -0.03 -0.38 0.13 0.00 -1.71 0.00 0.00 66.02 64.03 1x2q s SER 6 CO -0.10 -0.40 1.28 -0.83 1.20 0.00 0.00 173.24 174.39 1x2q s GLY 7 N -3.69 -0.37 0.03 9.45 0.00 -1.26 -5.09 107.32 106.40 1x2q s GLY 7 Ca 0.35 1.10 0.00 0.00 0.00 0.00 0.00 44.72 46.16 1x2q s GLY 7 CO 0.18 0.30 0.00 -1.14 0.00 0.00 0.00 173.10 172.43 1x2q n SER 8 N -0.32 -0.28 -3.67 1.64 3.41 -1.26 -5.07 113.62 108.07 1x2q n SER 8 Ca -0.05 0.49 -0.22 0.00 -0.26 0.00 0.00 58.87 58.84 1x2q n SER 8 Cb 0.61 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 1x2q n SER 8 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x2q n GLU 9 N -2.96 -1.55 -2.09 4.33 4.71 -1.26 -4.86 120.64 116.96 1x2q n GLU 9 Ca 0.00 0.91 -0.37 0.00 -0.01 0.00 0.00 57.16 57.69 1x2q n GLU 9 Cb 0.00 -2.77 0.01 0.00 -1.01 0.00 0.00 31.44 27.67 1x2q n GLU 9 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 1x2q s ILE 10 N -2.89 2.75 -0.04 -3.67 2.07 -1.26 -5.02 121.20 113.15 1x2q s ILE 10 Ca 0.03 0.55 -0.29 0.00 -1.41 0.00 0.00 60.65 59.53 1x2q s ILE 10 Cb -0.00 -3.27 0.11 0.00 0.13 0.00 0.00 42.46 39.42 1x2q s ILE 10 CO 0.87 -0.02 0.91 -1.10 -1.91 0.00 0.00 174.94 173.69 1x2q s GLN 11 N -2.83 0.78 -0.01 3.50 -0.21 -1.26 -5.18 119.66 114.44 1x2q s GLN 11 Ca 0.67 -0.21 -0.23 0.00 0.02 0.00 0.00 55.36 55.61 1x2q s GLN 11 Cb -0.32 0.36 0.05 0.00 1.00 0.00 0.00 33.01 34.10 1x2q s GLN 11 CO 0.38 -0.33 0.51 -0.48 -2.12 0.00 0.00 175.29 173.26 1x2q s LEU 12 N -2.23 0.00 -0.30 2.90 0.05 -1.26 -5.14 118.68 112.70 1x2q s LEU 12 Ca 0.04 0.36 -0.00 0.00 0.05 0.00 0.00 54.13 54.57 1x2q s LEU 12 Cb -0.01 2.01 0.06 0.00 -2.05 0.00 0.00 46.19 46.19 1x2q s LEU 12 CO -0.07 -0.59 -0.02 0.20 -0.55 0.00 0.00 176.35 175.33 1x2q s ASN 13 N -1.45 4.80 -0.22 1.48 0.01 -1.26 -5.06 114.94 113.24 1x2q s ASN 13 Ca -0.10 -1.37 -0.36 0.00 -0.71 0.00 0.00 52.86 50.32 1x2q s ASN 13 Cb -0.02 -1.68 0.14 0.00 0.41 0.00 0.00 41.25 40.11 1x2q s ASN 13 CO 0.05 -0.26 1.25 0.21 -1.51 0.00 0.00 177.10 176.84 1x2q s ASN 14 N 1.23 -0.10 0.57 -1.22 2.47 -1.26 -5.16 114.94 111.47 1x2q s ASN 14 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.23 1x2q s ASN 14 Cb -0.20 0.11 0.00 0.00 -1.45 0.00 0.00 41.25 39.71 1x2q s ASN 14 CO -0.02 -0.17 0.00 1.17 -3.72 0.00 0.00 177.10 174.35 1x2q n LYS 15 N -0.05 -3.31 -4.24 0.43 3.00 -1.26 -4.83 118.16 107.91 1x2q n LYS 15 Ca 0.02 2.60 -0.34 0.00 -0.00 0.00 0.00 58.31 60.58 1x2q n LYS 15 Cb 0.58 -3.91 -0.11 0.00 0.00 0.00 0.00 35.03 31.59 1x2q n LYS 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1x2q s VAL 16 N -3.81 4.19 0.35 3.15 -7.23 -1.26 -5.10 120.40 110.68 1x2q s VAL 16 Ca 0.00 -0.25 0.08 0.00 -1.81 0.00 0.00 61.98 60.00 1x2q s VAL 16 Cb 0.00 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 1x2q s VAL 16 CO 0.00 0.48 0.13 0.00 -0.31 0.00 0.00 175.10 175.40 1x2q s ALA 17 N 0.43 3.48 -0.68 1.32 0.00 -1.26 -5.07 121.76 119.99 1x2q s ALA 17 Ca -0.01 -1.86 -0.26 0.00 0.00 0.00 0.00 51.96 49.83 1x2q s ALA 17 Cb -0.14 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.35 1x2q s ALA 17 CO 0.02 0.02 1.14 0.50 0.00 0.00 0.00 175.76 177.44 1x2q s ARG 18 N -3.84 3.22 0.27 0.00 3.52 -1.23 -4.95 118.95 115.93 1x2q s ARG 18 Ca 0.38 -0.36 -0.13 0.00 -0.13 0.00 0.00 55.73 55.49 1x2q s ARG 18 Cb -0.02 -4.16 -0.08 0.00 -1.56 0.00 0.00 34.95 29.13 1x2q s ARG 18 CO 0.22 -1.93 0.64 0.15 -0.81 0.00 0.00 175.30 173.58 1x2q s LYS 19 N 4.96 3.91 -0.01 5.12 1.02 -1.26 0.18 119.74 133.66 1x2q s LYS 19 Ca 0.32 0.48 -0.13 0.00 0.02 0.00 0.00 55.97 56.65 1x2q s LYS 19 Cb -0.11 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 1x2q s LYS 19 CO 0.15 0.26 0.27 0.14 -0.92 0.00 0.00 175.35 175.25 1x2q s VAL 20 N -1.86 0.06 -0.20 3.17 -7.23 0.77 -4.45 120.40 110.65 1x2q s VAL 20 Ca 0.50 -0.51 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 1x2q s VAL 20 Cb -0.11 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 1x2q s VAL 20 CO 0.19 -0.28 0.05 -0.60 -0.31 0.00 0.00 175.10 174.16 1x2q s ARG 21 N -1.29 3.84 0.09 4.82 3.52 -1.02 0.63 118.95 129.53 1x2q s ARG 21 Ca -0.13 -0.41 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 1x2q s ARG 21 Cb -0.06 -3.22 -0.09 0.00 -1.56 0.00 0.00 34.95 30.03 1x2q s ARG 21 CO 0.04 0.12 1.64 0.00 -0.81 0.00 0.00 175.30 176.29 1x2q s ALA 22 N 0.77 3.70 -0.08 6.12 0.00 0.64 -0.91 121.76 131.99 1x2q s ALA 22 Ca 0.03 1.24 -0.10 0.00 0.00 0.00 0.00 51.96 53.13 1x2q s ALA 22 Cb -0.14 -3.68 -0.28 0.00 0.00 0.00 0.00 23.12 19.02 1x2q s ALA 22 CO 0.02 -1.04 0.53 -0.07 0.00 0.00 0.00 175.76 175.20 1x2q h LEU 23 N 8.23 0.51 -9.45 0.00 3.38 -0.56 1.33 115.31 118.74 1x2q h LEU 23 Ca -0.43 -0.93 -0.61 0.00 0.09 0.00 0.00 57.88 56.00 1x2q h LEU 23 Cb 1.20 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.65 1x2q h LEU 23 CO 0.93 1.80 -0.66 -0.31 0.09 0.00 0.00 178.44 180.28 1x2q s TYR 24 N -2.56 2.38 -0.36 1.13 2.02 -1.22 -4.63 117.35 114.11 1x2q s TYR 24 Ca -0.19 -0.56 -0.21 0.00 -0.37 0.00 0.00 57.07 55.74 1x2q s TYR 24 Cb 0.06 -1.44 0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1x2q s TYR 24 CO 0.81 0.52 0.69 0.16 -1.57 0.00 0.00 175.55 176.17 1x2q s ASP 25 N -3.61 6.47 0.48 2.29 -4.77 -1.26 -3.07 116.67 113.20 1x2q s ASP 25 Ca 0.33 0.20 0.07 0.00 -3.30 0.00 0.00 52.55 49.86 1x2q s ASP 25 Cb 0.04 -2.35 0.02 0.00 -1.09 0.00 0.00 42.92 39.54 1x2q s ASP 25 CO 0.16 -0.66 0.48 0.12 0.70 0.00 0.00 175.17 175.98 1x2q s PHE 26 N 2.86 2.16 -0.30 2.11 5.36 0.01 -4.89 117.98 125.30 1x2q s PHE 26 Ca 0.27 -0.63 -0.07 0.00 -0.96 0.00 0.00 56.93 55.54 1x2q s PHE 26 Cb -0.14 -2.12 0.17 0.00 -0.34 0.00 0.00 43.02 40.59 1x2q s PHE 26 CO 0.16 -0.44 0.71 -2.00 -1.46 0.00 0.00 175.22 172.19 1x2q s GLU 27 N -4.29 0.50 0.13 10.12 2.12 -1.26 -3.67 118.70 122.36 1x2q s GLU 27 Ca 0.47 1.05 -0.33 0.00 0.36 0.00 0.00 54.97 56.52 1x2q s GLU 27 Cb -0.04 0.61 -0.17 0.00 0.26 0.00 0.00 34.13 34.79 1x2q s GLU 27 CO 0.28 -0.38 0.91 0.00 -0.54 0.00 0.00 175.26 175.53 1x2q n ALA 28 N 5.39 -2.34 -0.06 6.30 0.00 -1.08 -4.87 120.51 123.85 1x2q n ALA 28 Ca -0.06 0.49 -0.07 0.00 0.00 0.00 0.00 53.44 53.80 1x2q n ALA 28 Cb 0.51 -1.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.07 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 0.93 0.78 -2.29 0.00 3.14 -1.26 -5.00 118.33 114.63 1x2q n VAL 29 Ca 0.17 -0.43 -0.08 0.00 -2.96 0.00 0.00 64.34 61.05 1x2q n VAL 29 Cb 0.20 -0.79 0.04 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 -2.56 0.31 -0.47 1.45 1.02 -1.26 -4.98 120.64 114.15 1x2q n GLU 30 Ca -0.20 -0.90 0.07 0.00 -0.02 0.00 0.00 57.16 56.11 1x2q n GLU 30 Cb 0.83 -0.24 0.27 0.00 -0.02 0.00 0.00 31.44 32.29 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 -2.99 3.71 -2.79 1.62 8.00 -1.26 -4.23 116.55 118.61 1x2q n ASP 31 Ca 0.06 -2.33 -0.10 0.00 0.71 0.00 0.00 54.79 53.13 1x2q n ASP 31 Cb 0.20 -0.50 0.08 0.00 -0.02 0.00 0.00 41.12 40.88 1x2q n ASP 31 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1x2q n ASN 32 N 0.82 -1.80 -4.28 -2.24 5.15 -1.26 -5.14 115.26 106.51 1x2q n ASN 32 Ca 0.20 -3.47 -0.22 0.00 -0.60 0.00 0.00 54.58 50.48 1x2q n ASN 32 Cb 0.70 1.45 -0.09 0.00 -0.53 0.00 0.00 39.78 41.31 1x2q n ASN 32 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1x2q s GLU 33 N -0.17 1.72 -0.15 1.20 2.02 -1.26 -3.95 118.70 118.11 1x2q s GLU 33 Ca 0.25 -2.00 -0.10 0.00 0.02 0.00 0.00 54.97 53.14 1x2q s GLU 33 Cb 0.31 -0.63 -0.05 0.00 0.10 0.00 0.00 34.13 33.86 1x2q s GLU 33 CO -0.06 -0.33 0.19 -1.17 0.02 0.00 0.00 175.26 173.91 1x2q s LEU 34 N -3.50 4.30 -0.30 1.80 0.20 0.51 -4.14 118.68 117.55 1x2q s LEU 34 Ca 0.32 0.43 -0.01 0.00 0.69 0.00 0.00 54.13 55.56 1x2q s LEU 34 Cb 0.06 -2.19 0.06 0.00 -0.43 0.00 0.00 46.19 43.68 1x2q s LEU 34 CO 0.15 0.25 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.56 1x2q s THR 35 N -0.19 2.84 0.24 3.68 2.01 -1.26 -2.62 115.64 120.33 1x2q s THR 35 Ca 0.14 -1.48 -0.09 0.00 0.31 0.00 0.00 61.69 60.57 1x2q s THR 35 Cb -0.12 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 1x2q s THR 35 CO 0.03 -0.13 0.38 0.72 -0.69 0.00 0.00 174.62 174.93 1x2q s PHE 36 N 1.21 0.61 0.32 4.92 -0.12 -1.24 -4.80 117.98 118.88 1x2q s PHE 36 Ca -0.05 -0.93 0.01 0.00 -0.05 0.00 0.00 56.93 55.91 1x2q s PHE 36 Cb -0.20 -0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.17 1x2q s PHE 36 CO -0.02 -0.90 0.08 1.63 -0.05 0.00 0.00 175.22 175.96 1x2q n LYS 37 N -0.36 1.16 -2.51 1.99 5.02 -1.26 -0.81 118.16 121.40 1x2q n LYS 37 Ca -0.00 -2.25 -0.35 0.00 -2.02 0.00 0.00 58.31 53.68 1x2q n LYS 37 Cb 0.63 0.50 -0.03 0.00 -0.02 0.00 0.00 35.03 36.11 1x2q n LYS 37 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1x2q s HIS 38 N -2.00 3.07 0.00 2.13 -3.43 -1.17 -3.51 115.29 110.37 1x2q s HIS 38 Ca 0.06 1.60 0.00 0.00 -0.80 0.00 0.00 55.06 55.91 1x2q s HIS 38 Cb -0.00 -3.12 0.00 0.00 -1.43 0.00 0.00 32.58 28.02 1x2q s HIS 38 CO 0.04 -0.84 0.00 0.41 -2.00 0.00 0.00 174.74 172.34 1x2q n GLY 39 N 0.04 1.81 3.45 -1.38 0.00 0.46 -4.91 105.19 104.65 1x2q n GLY 39 Ca 0.08 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 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 0.48 -3.34 1.61 1.02 -1.23 -3.98 120.64 115.20 1x2q n GLU 40 Ca 0.00 0.17 -0.35 0.00 -0.02 0.00 0.00 57.16 56.96 1x2q n GLU 40 Cb 0.00 -1.34 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.22 4.84 -0.05 -3.67 -1.09 -1.26 -0.26 121.20 118.49 1x2q s ILE 41 Ca 0.62 0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1x2q s ILE 41 Cb -0.75 -3.71 0.03 0.00 -1.58 0.00 0.00 42.46 36.44 1x2q s ILE 41 CO 0.58 0.16 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.82 1x2q s ILE 42 N -1.56 0.28 -0.48 2.92 1.09 0.21 -4.51 121.20 119.14 1x2q s ILE 42 Ca 0.41 0.09 -0.21 0.00 -1.10 0.00 0.00 60.65 59.83 1x2q s ILE 42 Cb -0.14 -0.39 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 -0.05 2.92 1.09 0.51 -0.17 121.20 131.61 1x2q s ILE 43 Ca -0.04 0.02 -0.30 0.00 -1.10 0.00 0.00 60.65 59.23 1x2q s ILE 43 Cb -0.13 -4.31 -0.04 0.00 -1.06 0.00 0.00 42.46 36.92 1x2q s ILE 43 CO -0.02 -0.77 1.33 -0.69 -0.10 0.00 0.00 174.94 174.68 1x2q s VAL 44 N 3.05 3.98 -0.24 2.92 1.01 0.48 0.16 120.40 131.77 1x2q s VAL 44 Ca 0.23 1.31 -0.07 0.00 0.00 0.00 0.00 61.98 63.45 1x2q s VAL 44 Cb -0.15 -3.84 -0.17 0.00 0.00 0.00 0.00 36.38 32.22 1x2q s VAL 44 CO 0.18 -0.03 -0.12 0.18 0.00 0.00 0.00 175.10 175.30 1x2q n LEU 45 N 5.64 2.49 -4.03 3.92 4.77 0.19 -3.53 117.00 126.46 1x2q n LEU 45 Ca 0.13 0.12 -0.23 0.00 -0.03 0.00 0.00 56.01 56.00 1x2q n LEU 45 Cb 0.45 -0.92 -0.16 0.00 -2.33 0.00 0.00 43.42 40.45 1x2q n LEU 45 CO 0.57 0.74 -0.46 -1.81 -1.33 0.00 0.00 177.39 175.11 1x2q s ASP 46 N -6.94 1.60 -0.14 -1.43 1.11 0.12 -5.01 116.67 105.98 1x2q s ASP 46 Ca -0.33 -0.26 0.20 0.00 0.18 0.00 0.00 52.55 52.33 1x2q s ASP 46 Cb 0.10 -0.59 0.45 0.00 1.07 0.00 0.00 42.92 43.95 1x2q s ASP 46 CO 0.59 0.06 1.17 -0.90 1.18 0.00 0.00 175.17 177.28 1x2q n ASP 47 N 3.53 1.72 0.00 0.27 5.75 -1.26 -1.42 116.55 125.13 1x2q n ASP 47 Ca -0.21 -2.68 -0.09 0.00 -0.01 0.00 0.00 54.79 51.80 1x2q n ASP 47 Cb 0.53 -0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 1x2q n ASP 47 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1x2q h SER 48 N 1.44 -0.48 -1.82 -1.12 0.87 -1.95 -3.42 113.55 107.07 1x2q h SER 48 Ca -0.09 0.09 -0.43 0.00 -1.23 0.00 0.00 61.79 60.12 1x2q h SER 48 Cb 1.51 0.23 0.02 0.00 -0.44 0.00 0.00 62.40 63.71 1x2q h SER 48 CO 0.16 -0.20 -0.27 -1.81 -0.53 0.00 0.00 176.83 174.18 1x2q s ASP 49 N -5.05 5.80 -0.18 6.23 1.01 -1.26 -5.04 116.67 118.19 1x2q s ASP 49 Ca -0.14 -0.21 0.10 0.00 0.71 0.00 0.00 52.55 53.01 1x2q s ASP 49 Cb 0.10 -1.04 -0.18 0.00 1.01 0.00 0.00 42.92 42.81 1x2q s ASP 49 CO 0.68 -0.62 -0.03 0.00 0.21 0.00 0.00 175.17 175.41 1x2q n ALA 50 N -1.80 1.58 0.28 5.23 0.00 -1.26 -4.56 120.51 119.98 1x2q n ALA 50 Ca 0.03 -1.01 -0.17 0.00 0.00 0.00 0.00 53.44 52.29 1x2q n ALA 50 Cb 0.58 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1x2q n ALA 50 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1x2q h ASN 51 N 0.00 -0.96 -3.98 0.00 2.35 -1.96 -3.33 115.58 107.71 1x2q h ASN 51 Ca -0.45 0.07 -0.69 0.00 -0.55 0.00 0.00 56.30 54.68 1x2q h ASN 51 Cb 1.91 0.30 -0.22 0.00 0.05 0.00 0.00 38.32 40.36 1x2q h ASN 51 CO -0.01 -0.54 -0.79 0.26 -1.65 0.00 0.00 177.43 174.70 1x2q s TRP 52 N -6.00 2.63 -0.05 1.19 0.52 -1.26 -4.09 118.94 111.87 1x2q s TRP 52 Ca -0.17 -0.21 0.03 0.00 0.02 0.00 0.00 56.10 55.77 1x2q s TRP 52 Cb 0.05 -1.53 0.00 0.00 -1.15 0.00 0.00 33.47 30.84 1x2q s TRP 52 CO 0.62 0.23 -0.15 -1.58 0.02 0.00 0.00 176.95 176.10 1x2q s TRP 53 N -0.86 1.59 -0.47 -1.98 0.52 0.51 -4.31 118.94 113.93 1x2q s TRP 53 Ca 0.14 -0.52 -0.17 0.00 0.02 0.00 0.00 56.10 55.57 1x2q s TRP 53 Cb -0.11 -1.11 0.05 0.00 -1.15 0.00 0.00 33.47 31.16 1x2q s TRP 53 CO 0.04 -0.22 0.49 0.21 0.02 0.00 0.00 176.95 177.49 1x2q s LYS 54 N 0.31 3.06 0.34 4.98 2.20 -0.51 -1.75 119.74 128.37 1x2q s LYS 54 Ca -0.09 -1.01 0.03 0.00 -0.36 0.00 0.00 55.97 54.54 1x2q s LYS 54 Cb -0.13 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.08 1x2q s LYS 54 CO 0.03 -1.04 0.14 0.20 -0.36 0.00 0.00 175.35 174.31 1x2q s GLY 55 N 2.39 2.25 0.06 5.54 0.00 -1.20 0.52 107.32 116.89 1x2q s GLY 55 Ca 0.10 -1.64 0.05 0.00 0.00 0.00 0.00 44.72 43.24 1x2q s GLY 55 CO 0.11 -1.70 -0.14 1.85 0.00 0.00 0.00 173.10 173.21 1x2q s GLU 56 N -3.79 0.85 0.22 2.90 -6.30 0.43 -2.79 118.70 110.21 1x2q s GLU 56 Ca 0.32 -0.89 -0.08 0.00 -2.50 0.00 0.00 54.97 51.81 1x2q s GLU 56 Cb 0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 34.13 33.29 1x2q s GLU 56 CO 0.16 0.20 0.33 0.54 0.02 0.00 0.00 175.26 176.51 1x2q s ASN 57 N -1.56 0.01 0.24 -1.70 2.20 0.11 0.19 114.94 114.43 1x2q s ASN 57 Ca -0.01 -1.08 -0.14 0.00 -0.94 0.00 0.00 52.86 50.70 1x2q s ASN 57 Cb -0.09 0.49 0.30 0.00 -2.00 0.00 0.00 41.25 39.94 1x2q s ASN 57 CO 0.02 -1.00 1.49 0.00 -2.94 0.00 0.00 177.10 174.67 1x2q n HIS 58 N -0.31 0.13 -0.14 1.54 1.44 -1.26 0.12 115.22 116.73 1x2q n HIS 58 Ca -0.01 1.18 -0.04 0.00 -2.01 0.00 0.00 57.72 56.83 1x2q n HIS 58 Cb 0.63 -0.92 0.03 0.00 0.12 0.00 0.00 29.99 29.85 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 0.01 0.00 -1.40 3.08 -1.95 -3.48 114.38 110.64 1x2q h ARG 59 Ca 0.37 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1x2q h ARG 59 Cb 0.61 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1x2q h ARG 59 CO -0.96 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 178.36 1x2q n GLY 60 N -1.33 -0.30 3.95 0.04 0.00 0.33 -5.11 105.19 102.77 1x2q n GLY 60 Ca 0.03 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.24 4.23 0.00 -0.61 1.09 -1.26 0.06 121.20 121.46 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 -3.45 0.00 0.00 -1.06 0.00 0.00 42.46 37.95 1x2q s ILE 61 CO 0.00 -0.21 0.00 0.61 -0.10 0.00 0.00 174.94 175.24 1x2q n GLY 62 N -1.51 1.84 3.90 6.18 0.00 -1.12 -4.64 105.19 109.84 1x2q n GLY 62 Ca -0.03 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 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 3.82 -0.10 0.99 2.01 -1.25 -3.20 118.68 120.93 1x2q s LEU 63 Ca 0.00 0.92 -0.33 0.00 0.01 0.00 0.00 54.13 54.73 1x2q s LEU 63 Cb 0.00 -3.81 0.13 0.00 0.01 0.00 0.00 46.19 42.51 1x2q s LEU 63 CO 0.00 -0.42 1.20 0.72 1.01 0.00 0.00 176.35 178.86 1x2q s PHE 64 N -2.45 -0.12 0.29 0.29 -0.71 -0.72 0.19 117.98 114.76 1x2q s PHE 64 Ca 0.47 0.03 -0.29 0.00 -1.04 0.00 0.00 56.93 56.10 1x2q s PHE 64 Cb -0.10 0.53 -0.09 0.00 -1.21 0.00 0.00 43.02 42.15 1x2q s PHE 64 CO 0.36 -0.28 1.08 -1.25 -1.34 0.00 0.00 175.22 173.79 1x2q s PRO 65 N -2.52 4.61 0.00 1.99 0.04 -1.26 0.19 135.00 138.06 1x2q s PRO 65 Ca 0.11 1.75 0.28 0.00 0.04 0.00 0.00 61.00 63.18 1x2q s PRO 65 Cb 0.01 -3.13 1.31 0.00 0.04 0.00 0.00 34.50 32.72 1x2q s PRO 65 CO -0.04 0.21 1.94 0.43 0.04 0.00 0.00 177.00 179.58 1x2q n SER 66 N 1.09 0.00 -1.24 6.66 7.64 -1.25 -2.82 113.62 123.70 1x2q n SER 66 Ca -0.01 0.25 0.04 0.00 1.01 0.00 0.00 58.87 60.16 1x2q n SER 66 Cb 0.45 -0.41 0.22 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.41 3.54 0.00 6.43 2.85 -1.26 -3.42 115.26 121.98 1x2q n ASN 67 Ca 0.10 -2.49 0.00 0.00 -0.11 0.00 0.00 54.58 52.08 1x2q n ASN 67 Cb 0.29 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.72 1x2q n ASN 67 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1x2q n PHE 68 N 0.36 0.00 -4.48 1.20 3.01 -1.13 -4.94 117.46 111.47 1x2q n PHE 68 Ca 0.15 -0.15 -0.25 0.00 1.01 0.00 0.00 57.45 58.22 1x2q n PHE 68 Cb 0.75 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 40.13 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 -0.30 0.53 -0.03 -4.37 -7.23 -1.22 0.18 120.40 107.97 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 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.59 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 -3.25 0.18 -0.72 5.32 -1.32 -0.09 -4.75 115.64 111.01 1x2q s THR 70 Ca 0.26 0.07 -0.09 0.00 -1.21 0.00 0.00 61.69 60.72 1x2q s THR 70 Cb 0.03 -0.27 -0.08 0.00 -1.51 0.00 0.00 72.50 70.67 1x2q s THR 70 CO 0.16 0.14 1.89 0.35 -2.21 0.00 0.00 174.62 174.95 1x2q n THR 71 N 4.05 1.88 0.00 5.08 -2.24 -1.26 -2.45 114.28 119.34 1x2q n THR 71 Ca -0.26 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 1x2q n THR 71 Cb 0.51 -2.07 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 5.13 0.00 -4.58 3.42 5.15 -1.26 -5.06 115.26 118.07 1x2q n ASN 72 Ca 0.39 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 54.17 1x2q n ASN 72 Cb 0.18 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.33 1x2q n ASN 72 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x2q s LEU 73 N 0.00 2.66 0.00 1.20 1.43 -1.26 -4.44 118.68 118.27 1x2q s LEU 73 Ca 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1x2q s LEU 73 Cb 0.00 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1x2q s LEU 73 CO 0.00 -4.05 0.00 -3.20 0.23 0.00 0.00 176.35 169.33 1x2q n ASN 74 N 17.53 0.00 -4.52 2.29 2.85 -1.26 -5.04 115.26 127.11 1x2q n ASN 74 Ca 0.43 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.47 1x2q n ASN 74 Cb 0.47 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.41 1x2q n ASN 74 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1x2q s ILE 75 N -2.00 4.98 -0.20 -1.44 1.01 -1.26 -4.95 121.20 117.33 1x2q s ILE 75 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 1x2q s ILE 75 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 1x2q s ILE 75 CO 0.00 -0.40 0.12 -0.70 0.00 0.00 0.00 174.94 173.95 1x2q s GLU 76 N 2.44 4.11 -0.30 2.79 2.12 -1.26 -5.05 118.70 123.55 1x2q s GLU 76 Ca 0.18 -0.26 -0.17 0.00 0.36 0.00 0.00 54.97 55.08 1x2q s GLU 76 Cb -0.16 -3.39 0.18 0.00 0.26 0.00 0.00 34.13 31.02 1x2q s GLU 76 CO 0.15 0.25 1.12 -0.08 -0.54 0.00 0.00 175.26 176.16 1x2q s THR 77 N 0.50 -0.31 0.92 -1.70 -1.32 -1.26 -5.16 115.64 107.31 1x2q s THR 77 Ca 0.07 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.44 1x2q s THR 77 Cb -0.12 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.01 1x2q s THR 77 CO -0.00 0.00 1.07 1.21 -2.21 0.00 0.00 174.62 174.68 1x2q n GLU 78 N 4.82 -0.43 0.14 7.08 2.13 -1.26 -4.89 120.64 128.23 1x2q n GLU 78 Ca -0.08 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1x2q n GLU 78 Cb 0.54 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.93 1x2q n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x2q n ALA 79 N -4.16 0.00 -1.67 4.31 0.00 -1.26 -5.14 120.51 112.59 1x2q n ALA 79 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 1x2q n ALA 79 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.00 1x2q n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2q s ALA 80 N -1.85 2.81 -0.23 0.00 0.00 -1.26 -4.54 121.76 116.69 1x2q s ALA 80 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 1x2q s ALA 80 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1x2q s ALA 80 CO 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 175.76 174.78 1x2q n ALA 81 N -2.84 -3.14 -3.53 0.00 0.00 -1.26 -5.02 120.51 104.71 1x2q n ALA 81 Ca 0.07 0.50 -0.25 0.00 0.00 0.00 0.00 53.44 53.76 1x2q n ALA 81 Cb 0.54 -1.11 -0.17 0.00 0.00 0.00 0.00 19.45 18.71 1x2q n ALA 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1x2q s VAL 82 N -1.41 1.13 0.34 0.00 -7.23 -1.26 -5.12 120.40 106.85 1x2q s VAL 82 Ca -0.02 -0.45 -0.29 0.00 -1.81 0.00 0.00 61.98 59.41 1x2q s VAL 82 Cb 0.00 -1.05 -0.11 0.00 0.56 0.00 0.00 36.38 35.79 1x2q s VAL 82 CO 0.60 0.36 1.47 -0.55 -0.31 0.00 0.00 175.10 176.67 1x2q s SER 83 N 0.82 6.45 0.13 4.85 0.15 -1.26 -5.02 113.70 119.82 1x2q s SER 83 Ca -0.12 2.94 -0.00 0.00 0.70 0.00 0.00 55.95 59.47 1x2q s SER 83 Cb -0.15 -2.66 -0.04 0.00 -1.71 0.00 0.00 66.02 61.46 1x2q s SER 83 CO 0.02 -0.80 0.03 -0.83 1.20 0.00 0.00 173.24 172.85 1x2q s GLY 84 N -0.06 0.96 -0.08 9.45 0.00 -1.26 -5.08 107.32 111.26 1x2q s GLY 84 Ca 0.54 -1.46 -0.27 0.00 0.00 0.00 0.00 44.72 43.53 1x2q s GLY 84 CO 0.57 -1.40 1.00 -0.56 0.00 0.00 0.00 173.10 172.71 1x2q h PRO 85 N 2.87 -0.01 -3.19 2.90 0.13 -2.10 -3.50 132.00 129.11 1x2q h PRO 85 Ca -0.35 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.03 1x2q h PRO 85 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1x2q h PRO 85 CO 0.61 0.72 -1.10 0.45 -0.23 0.00 0.00 178.00 178.46 1x2q n SER 86 N -4.74 -7.12 -4.73 1.44 2.88 -1.26 -5.00 113.62 95.10 1x2q n SER 86 Ca -0.09 1.39 -0.25 0.00 -1.33 0.00 0.00 58.87 58.59 1x2q n SER 86 Cb 0.36 -4.45 -0.08 0.00 -0.75 0.00 0.00 64.21 59.29 1x2q n SER 86 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x2q s SER 87 N -6.57 4.37 0.00 -3.46 0.01 -1.26 -5.34 113.70 101.45 1x2q s SER 87 Ca 0.00 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.16 1x2q s SER 87 Cb 0.00 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1x2q s SER 87 CO 0.00 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.73