#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 -0.38 0.28 1.61 1.04 -1.26 -5.14 113.70 109.86 1x2q s SER 2 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1x2q s SER 2 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1x2q s SER 2 CO 0.00 -0.03 0.00 -0.24 0.98 0.00 0.00 173.24 173.95 1x2q n SER 3 N 3.34 -4.36 -3.31 7.02 2.88 -1.26 -5.08 113.62 112.85 1x2q n SER 3 Ca 0.08 0.84 0.04 0.00 -1.33 0.00 0.00 58.87 58.50 1x2q n SER 3 Cb 0.63 -1.98 -0.05 0.00 -0.75 0.00 0.00 64.21 62.07 1x2q n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x2q s GLY 4 N -3.78 0.43 -0.29 0.46 0.00 -1.26 -5.16 107.32 97.71 1x2q s GLY 4 Ca 0.00 3.77 -0.14 0.00 0.00 0.00 0.00 44.72 48.34 1x2q s GLY 4 CO 0.00 3.21 0.87 -0.45 0.00 0.00 0.00 173.10 176.73 1x2q s SER 5 N 1.72 -0.73 0.08 1.64 0.15 -1.26 -5.18 113.70 110.13 1x2q s SER 5 Ca -0.02 1.08 -0.05 0.00 0.70 0.00 0.00 55.95 57.66 1x2q s SER 5 Cb -0.01 1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 65.89 1x2q s SER 5 CO -0.14 -0.16 0.09 -0.94 1.20 0.00 0.00 173.24 173.29 1x2q s SER 6 N 2.08 0.29 0.00 5.45 1.04 -1.26 -5.13 113.70 116.17 1x2q s SER 6 Ca -0.06 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1x2q s SER 6 Cb -0.06 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1x2q s SER 6 CO -0.17 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1x2q n GLY 7 N -0.01 2.49 3.29 7.32 0.00 -1.26 -5.14 105.19 111.89 1x2q n GLY 7 Ca -0.13 -1.51 0.03 0.00 0.00 0.00 0.00 46.02 44.41 1x2q n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x2q s SER 8 N 0.00 -0.42 -0.30 1.61 0.15 -1.26 -5.16 113.70 108.33 1x2q s SER 8 Ca 0.00 0.51 -0.17 0.00 0.70 0.00 0.00 55.95 56.99 1x2q s SER 8 Cb 0.00 1.45 0.20 0.00 -1.71 0.00 0.00 66.02 65.96 1x2q s SER 8 CO 0.00 -0.08 1.23 -1.83 1.20 0.00 0.00 173.24 173.76 1x2q s GLU 9 N 2.43 0.09 -0.45 5.44 -1.05 -1.26 -5.11 118.70 118.78 1x2q s GLU 9 Ca -0.01 0.17 0.02 0.00 -0.15 0.00 0.00 54.97 55.00 1x2q s GLU 9 Cb -0.05 0.05 0.13 0.00 -0.44 0.00 0.00 34.13 33.82 1x2q s GLU 9 CO -0.16 -0.02 0.24 0.96 0.95 0.00 0.00 175.26 177.23 1x2q s ILE 10 N 1.46 1.61 -0.09 1.83 -4.36 -1.26 -5.08 121.20 115.32 1x2q s ILE 10 Ca -0.05 -2.67 0.01 0.00 -0.26 0.00 0.00 60.65 57.67 1x2q s ILE 10 Cb -0.02 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.58 1x2q s ILE 10 CO -0.13 -0.87 -0.09 -1.58 0.24 0.00 0.00 174.94 172.51 1x2q s GLN 11 N 0.26 1.50 0.15 0.37 0.74 -1.26 -4.99 119.66 116.42 1x2q s GLN 11 Ca 0.17 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.29 1x2q s GLN 11 Cb -0.25 -1.42 0.00 0.00 1.10 0.00 0.00 33.01 32.44 1x2q s GLN 11 CO 0.00 -0.14 0.00 1.28 -0.55 0.00 0.00 175.29 175.89 1x2q n LEU 12 N 4.42 -0.17 -4.02 3.68 4.77 -1.26 -5.14 117.00 119.29 1x2q n LEU 12 Ca -0.18 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 1x2q n LEU 12 Cb 0.51 0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.77 1x2q n LEU 12 CO 0.20 -0.62 -0.37 0.54 -1.33 0.00 0.00 177.39 175.81 1x2q s ASN 13 N -4.36 0.45 -0.22 -1.43 4.22 -1.26 -5.14 114.94 107.20 1x2q s ASN 13 Ca 0.00 -0.58 -0.08 0.00 -2.14 0.00 0.00 52.86 50.07 1x2q s ASN 13 Cb 0.00 0.09 -0.04 0.00 1.28 0.00 0.00 41.25 42.59 1x2q s ASN 13 CO 0.00 -0.31 0.08 0.21 -2.04 0.00 0.00 177.10 175.04 1x2q s ASN 14 N -1.68 5.40 0.32 3.54 3.84 -1.26 -5.07 114.94 120.02 1x2q s ASN 14 Ca -0.11 -0.08 0.05 0.00 0.21 0.00 0.00 52.86 52.93 1x2q s ASN 14 Cb -0.08 -1.95 -0.02 0.00 -0.55 0.00 0.00 41.25 38.65 1x2q s ASN 14 CO -0.02 0.05 0.32 0.29 -2.79 0.00 0.00 177.10 174.95 1x2q n LYS 15 N 4.37 0.46 -3.96 0.43 5.02 -1.26 -5.14 118.16 118.07 1x2q n LYS 15 Ca -0.16 -3.07 -0.35 0.00 -2.02 0.00 0.00 58.31 52.71 1x2q n LYS 15 Cb 0.52 2.61 -0.13 0.00 -0.02 0.00 0.00 35.03 38.01 1x2q n LYS 15 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1x2q s VAL 16 N -3.18 3.87 0.38 -0.18 -7.23 -1.26 -5.10 120.40 107.71 1x2q s VAL 16 Ca 0.36 -0.33 0.07 0.00 -1.81 0.00 0.00 61.98 60.26 1x2q s VAL 16 Cb 0.01 -2.77 -0.07 0.00 0.56 0.00 0.00 36.38 34.11 1x2q s VAL 16 CO 0.25 0.41 -0.00 0.00 -0.31 0.00 0.00 175.10 175.45 1x2q s ALA 17 N 1.26 2.94 -0.78 1.32 0.00 -1.26 -5.08 121.76 120.16 1x2q s ALA 17 Ca 0.04 -2.20 -0.21 0.00 0.00 0.00 0.00 51.96 49.58 1x2q s ALA 17 Cb -0.15 0.22 0.09 0.00 0.00 0.00 0.00 23.12 23.29 1x2q s ALA 17 CO 0.01 -0.12 1.04 0.50 0.00 0.00 0.00 175.76 177.19 1x2q s ARG 18 N -3.73 3.32 0.28 0.00 3.52 -1.25 -4.99 118.95 116.10 1x2q s ARG 18 Ca 0.34 -1.22 -0.13 0.00 -0.13 0.00 0.00 55.73 54.59 1x2q s ARG 18 Cb 0.08 -4.54 -0.08 0.00 -1.56 0.00 0.00 34.95 28.85 1x2q s ARG 18 CO 0.17 -1.81 0.66 0.15 -0.81 0.00 0.00 175.30 173.66 1x2q s LYS 19 N 3.52 3.94 0.02 5.12 1.02 -1.26 0.16 119.74 132.25 1x2q s LYS 19 Ca 0.27 0.52 -0.02 0.00 0.02 0.00 0.00 55.97 56.76 1x2q s LYS 19 Cb -0.12 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1x2q s LYS 19 CO 0.02 0.24 0.01 0.14 -0.92 0.00 0.00 175.35 174.84 1x2q s VAL 20 N -1.89 0.11 -0.23 3.17 -7.23 0.10 -4.55 120.40 109.88 1x2q s VAL 20 Ca 0.51 -0.90 -0.08 0.00 -1.81 0.00 0.00 61.98 59.69 1x2q s VAL 20 Cb -0.11 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 1x2q s VAL 20 CO 0.19 -0.50 0.10 -0.60 -0.31 0.00 0.00 175.10 173.99 1x2q s ARG 21 N -1.58 3.85 0.02 4.82 6.06 -1.09 -0.33 118.95 130.71 1x2q s ARG 21 Ca -0.14 -0.38 -0.30 0.00 -2.50 0.00 0.00 55.73 52.40 1x2q s ARG 21 Cb -0.08 -3.38 -0.07 0.00 0.06 0.00 0.00 34.95 31.47 1x2q s ARG 21 CO -0.01 -0.02 1.67 0.00 -2.50 0.00 0.00 175.30 174.45 1x2q s ALA 22 N 1.21 3.65 -0.07 6.12 0.00 -0.02 -1.32 121.76 131.32 1x2q s ALA 22 Ca 0.05 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.98 1x2q s ALA 22 Cb -0.14 -3.72 -0.29 0.00 0.00 0.00 0.00 23.12 18.96 1x2q s ALA 22 CO 0.04 -1.24 0.64 -0.07 0.00 0.00 0.00 175.76 175.14 1x2q h LEU 23 N 9.29 0.49 -9.25 0.00 3.38 0.11 1.03 115.31 120.35 1x2q h LEU 23 Ca -0.42 -0.89 -0.57 0.00 0.09 0.00 0.00 57.88 56.09 1x2q h LEU 23 Cb 1.20 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 1x2q h LEU 23 CO 0.94 1.66 -0.70 -0.31 0.09 0.00 0.00 178.44 180.11 1x2q s TYR 24 N -2.51 2.20 -0.40 1.13 2.02 -1.16 -4.64 117.35 113.99 1x2q s TYR 24 Ca -0.18 -0.51 -0.25 0.00 -0.37 0.00 0.00 57.07 55.76 1x2q s TYR 24 Cb 0.04 -1.17 0.02 0.00 -0.40 0.00 0.00 41.96 40.46 1x2q s TYR 24 CO 0.81 0.52 0.90 0.16 -1.57 0.00 0.00 175.55 176.37 1x2q s ASP 25 N -3.52 6.60 0.56 2.29 1.47 -1.26 -3.18 116.67 119.63 1x2q s ASP 25 Ca 0.30 0.40 0.09 0.00 1.18 0.00 0.00 52.55 54.52 1x2q s ASP 25 Cb 0.01 -2.45 0.08 0.00 -0.34 0.00 0.00 42.92 40.22 1x2q s ASP 25 CO 0.14 -0.90 0.77 0.12 0.68 0.00 0.00 175.17 175.99 1x2q s PHE 26 N 3.50 1.62 -0.30 2.11 5.36 -0.11 -4.86 117.98 125.31 1x2q s PHE 26 Ca 0.37 -0.65 -0.06 0.00 -0.96 0.00 0.00 56.93 55.63 1x2q s PHE 26 Cb -0.12 -2.28 0.19 0.00 -0.34 0.00 0.00 43.02 40.47 1x2q s PHE 26 CO 0.21 -1.08 0.90 -2.00 -1.46 0.00 0.00 175.22 171.78 1x2q s GLU 27 N -4.65 0.28 0.06 10.12 2.12 -1.26 -3.91 118.70 121.46 1x2q s GLU 27 Ca 0.61 0.30 -0.35 0.00 0.36 0.00 0.00 54.97 55.90 1x2q s GLU 27 Cb -0.06 0.14 -0.18 0.00 0.26 0.00 0.00 34.13 34.29 1x2q s GLU 27 CO 0.38 -0.50 0.87 0.00 -0.54 0.00 0.00 175.26 175.47 1x2q n ALA 28 N 5.24 -3.32 -0.06 6.30 0.00 -0.90 -4.86 120.51 122.92 1x2q n ALA 28 Ca 0.06 0.53 -0.07 0.00 0.00 0.00 0.00 53.44 53.96 1x2q n ALA 28 Cb 0.56 -1.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 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 1.02 0.70 -1.58 0.00 3.14 -1.26 -4.98 118.33 115.36 1x2q n VAL 29 Ca 0.19 -0.34 -0.08 0.00 -2.96 0.00 0.00 64.34 61.15 1x2q n VAL 29 Cb 0.12 -0.85 0.05 0.00 -1.06 0.00 0.00 33.84 32.10 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 -2.64 -0.13 -1.29 1.45 1.02 -1.26 -4.97 120.64 112.82 1x2q n GLU 30 Ca -0.19 -0.64 -0.29 0.00 -0.02 0.00 0.00 57.16 56.02 1x2q n GLU 30 Cb 0.78 -0.33 0.12 0.00 -0.02 0.00 0.00 31.44 31.99 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 -3.16 5.87 -2.66 1.62 9.92 -1.26 -4.27 116.55 122.61 1x2q n ASP 31 Ca 0.05 -3.72 -0.04 0.00 -0.53 0.00 0.00 54.79 50.55 1x2q n ASP 31 Cb 0.16 -0.90 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 1x2q n ASP 31 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1x2q n ASN 32 N -1.02 -1.22 -4.45 -2.24 5.15 -1.26 -5.16 115.26 105.07 1x2q n ASN 32 Ca 0.60 -1.74 -0.26 0.00 -0.60 0.00 0.00 54.58 52.58 1x2q n ASN 32 Cb 1.10 1.01 -0.09 0.00 -0.53 0.00 0.00 39.78 41.27 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 0.05 1.89 -0.13 1.20 2.02 -1.26 -3.48 118.70 119.00 1x2q s GLU 33 Ca 0.06 -2.12 -0.09 0.00 0.02 0.00 0.00 54.97 52.84 1x2q s GLU 33 Cb 0.10 -1.06 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 1x2q s GLU 33 CO -0.03 -0.29 0.17 -1.17 0.02 0.00 0.00 175.26 173.97 1x2q s LEU 34 N -3.64 4.35 -0.32 1.80 0.20 0.53 -3.93 118.68 117.68 1x2q s LEU 34 Ca 0.26 0.47 -0.04 0.00 0.69 0.00 0.00 54.13 55.52 1x2q s LEU 34 Cb 0.06 -2.15 0.05 0.00 -0.43 0.00 0.00 46.19 43.72 1x2q s LEU 34 CO 0.13 0.33 0.04 -0.89 -0.29 0.00 0.00 176.35 175.67 1x2q s THR 35 N -0.65 3.29 0.27 3.68 2.01 -1.26 -2.13 115.64 120.85 1x2q s THR 35 Ca 0.15 -1.29 -0.14 0.00 0.31 0.00 0.00 61.69 60.71 1x2q s THR 35 Cb -0.12 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.51 1x2q s THR 35 CO 0.04 -0.14 0.56 0.72 -0.69 0.00 0.00 174.62 175.11 1x2q s PHE 36 N 1.31 0.26 0.35 4.92 -0.12 -1.25 -4.73 117.98 118.71 1x2q s PHE 36 Ca -0.04 -0.66 0.00 0.00 -0.05 0.00 0.00 56.93 56.18 1x2q s PHE 36 Cb -0.20 0.34 0.00 0.00 -0.63 0.00 0.00 43.02 42.53 1x2q s PHE 36 CO 0.00 -1.10 0.02 1.63 -0.05 0.00 0.00 175.22 175.72 1x2q n LYS 37 N -0.42 1.15 -2.26 1.99 5.02 -1.26 -0.93 118.16 121.45 1x2q n LYS 37 Ca -0.02 -2.49 -0.34 0.00 -2.02 0.00 0.00 58.31 53.44 1x2q n LYS 37 Cb 0.61 0.63 -0.00 0.00 -0.02 0.00 0.00 35.03 36.25 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 -2.20 2.79 0.00 2.13 -3.43 -1.19 -3.63 115.29 109.76 1x2q s HIS 38 Ca 0.02 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 55.83 1x2q s HIS 38 Cb -0.00 -3.18 0.00 0.00 -1.43 0.00 0.00 32.58 27.97 1x2q s HIS 38 CO 0.01 -1.32 0.00 0.41 -2.00 0.00 0.00 174.74 171.84 1x2q n GLY 39 N -0.17 1.81 3.16 -1.38 0.00 0.35 -4.91 105.19 104.06 1x2q n GLY 39 Ca 0.10 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.51 1.61 1.02 -1.24 -3.62 120.64 114.90 1x2q n GLU 40 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1x2q n GLU 40 Cb 0.00 -0.94 -0.05 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 -1.14 5.02 -0.05 -3.67 -1.09 -1.26 -0.84 121.20 118.15 1x2q s ILE 41 Ca 0.59 0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 59.38 1x2q s ILE 41 Cb -0.79 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1x2q s ILE 41 CO 0.55 0.05 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.67 1x2q s ILE 42 N -1.67 0.34 -0.46 2.92 1.09 0.56 -4.61 121.20 119.36 1x2q s ILE 42 Ca 0.42 0.08 -0.26 0.00 -1.10 0.00 0.00 60.65 59.80 1x2q s ILE 42 Cb -0.12 -0.46 0.03 0.00 -1.06 0.00 0.00 42.46 40.85 1x2q s ILE 42 CO 0.21 0.22 0.95 -0.63 -0.10 0.00 0.00 174.94 175.60 1x2q s ILE 43 N 1.57 4.44 -0.14 2.92 1.09 0.37 -0.72 121.20 130.73 1x2q s ILE 43 Ca -0.01 0.82 -0.29 0.00 -1.10 0.00 0.00 60.65 60.06 1x2q s ILE 43 Cb -0.13 -4.45 -0.01 0.00 -1.06 0.00 0.00 42.46 36.80 1x2q s ILE 43 CO -0.03 -0.85 1.18 -0.69 -0.10 0.00 0.00 174.94 174.44 1x2q s VAL 44 N 3.84 4.41 -0.19 2.92 1.01 0.41 0.19 120.40 132.99 1x2q s VAL 44 Ca 0.38 1.71 -0.10 0.00 0.00 0.00 0.00 61.98 63.97 1x2q s VAL 44 Cb -0.10 -4.10 -0.21 0.00 0.00 0.00 0.00 36.38 31.98 1x2q s VAL 44 CO 0.27 -0.10 0.12 0.18 0.00 0.00 0.00 175.10 175.57 1x2q n LEU 45 N 6.03 2.43 -3.97 3.92 4.77 0.15 -3.90 117.00 126.43 1x2q n LEU 45 Ca 0.12 0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 56.10 1x2q n LEU 45 Cb 0.46 -1.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.38 1x2q n LEU 45 CO 0.54 0.70 -0.43 -1.81 -1.33 0.00 0.00 177.39 175.06 1x2q s ASP 46 N -6.95 1.23 -0.08 -1.43 1.11 -0.12 -5.01 116.67 105.41 1x2q s ASP 46 Ca -0.29 -0.19 0.17 0.00 0.18 0.00 0.00 52.55 52.42 1x2q s ASP 46 Cb 0.08 -0.46 0.34 0.00 1.07 0.00 0.00 42.92 43.95 1x2q s ASP 46 CO 0.66 0.02 1.15 -0.90 1.18 0.00 0.00 175.17 177.29 1x2q n ASP 47 N 3.61 1.19 -0.18 0.27 5.75 -1.26 -1.50 116.55 124.44 1x2q n ASP 47 Ca -0.21 -2.68 -0.03 0.00 -0.01 0.00 0.00 54.79 51.86 1x2q n ASP 47 Cb 0.53 -0.37 0.04 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.72 -0.62 -1.70 -1.12 0.87 -1.95 -3.41 113.55 106.35 1x2q h SER 48 Ca -0.10 0.17 -0.43 0.00 -1.23 0.00 0.00 61.79 60.20 1x2q h SER 48 Cb 1.45 0.38 0.01 0.00 -0.44 0.00 0.00 62.40 63.80 1x2q h SER 48 CO 0.04 -0.21 -0.30 -1.81 -0.53 0.00 0.00 176.83 174.02 1x2q s ASP 49 N -5.20 5.84 -0.21 6.23 1.01 -1.26 -5.05 116.67 118.03 1x2q s ASP 49 Ca -0.14 -0.26 -0.00 0.00 0.71 0.00 0.00 52.55 52.85 1x2q s ASP 49 Cb 0.17 -1.02 -0.13 0.00 1.01 0.00 0.00 42.92 42.96 1x2q s ASP 49 CO 0.72 -0.57 -0.20 0.00 0.21 0.00 0.00 175.17 175.33 1x2q n ALA 50 N -1.74 1.56 -0.05 5.23 0.00 -1.26 -4.59 120.51 119.65 1x2q n ALA 50 Ca 0.03 -0.88 -0.14 0.00 0.00 0.00 0.00 53.44 52.45 1x2q n ALA 50 Cb 0.58 0.05 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.12 -1.63 -3.84 0.00 2.35 -1.96 -3.34 115.58 107.04 1x2q h ASN 51 Ca -0.48 0.21 -0.68 0.00 -0.55 0.00 0.00 56.30 54.80 1x2q h ASN 51 Cb 1.68 0.66 -0.20 0.00 0.05 0.00 0.00 38.32 40.51 1x2q h ASN 51 CO -0.11 -0.44 -0.79 0.26 -1.65 0.00 0.00 177.43 174.70 1x2q s TRP 52 N -5.76 2.61 -0.02 1.19 0.52 -1.26 -4.21 118.94 112.02 1x2q s TRP 52 Ca -0.15 -0.22 0.04 0.00 0.02 0.00 0.00 56.10 55.79 1x2q s TRP 52 Cb 0.09 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 1x2q s TRP 52 CO 0.63 0.31 -0.14 -1.58 0.02 0.00 0.00 176.95 176.18 1x2q s TRP 53 N -1.00 1.29 -0.42 -1.98 0.52 0.31 -4.37 118.94 113.29 1x2q s TRP 53 Ca 0.16 -0.27 -0.12 0.00 0.02 0.00 0.00 56.10 55.88 1x2q s TRP 53 Cb -0.11 -0.85 0.05 0.00 -1.15 0.00 0.00 33.47 31.42 1x2q s TRP 53 CO 0.07 -0.05 0.29 0.21 0.02 0.00 0.00 176.95 177.49 1x2q s LYS 54 N -0.21 2.83 0.40 4.98 2.20 -0.56 -1.71 119.74 127.66 1x2q s LYS 54 Ca 0.03 -1.26 0.05 0.00 -0.36 0.00 0.00 55.97 54.43 1x2q s LYS 54 Cb -0.07 -3.90 -0.02 0.00 -1.51 0.00 0.00 37.83 32.33 1x2q s LYS 54 CO -0.00 -0.88 0.17 0.20 -0.36 0.00 0.00 175.35 174.49 1x2q s GLY 55 N 2.04 2.60 0.04 5.54 0.00 -1.22 0.33 107.32 116.65 1x2q s GLY 55 Ca 0.03 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.40 1x2q s GLY 55 CO 0.06 -1.75 -0.10 1.85 0.00 0.00 0.00 173.10 173.16 1x2q s GLU 56 N -3.62 0.66 0.24 2.90 2.12 0.51 -2.89 118.70 118.61 1x2q s GLU 56 Ca 0.27 -0.73 -0.09 0.00 0.36 0.00 0.00 54.97 54.77 1x2q s GLU 56 Cb 0.02 -0.55 -0.01 0.00 0.26 0.00 0.00 34.13 33.84 1x2q s GLU 56 CO 0.18 0.12 0.38 0.54 -0.54 0.00 0.00 175.26 175.94 1x2q s ASN 57 N -1.35 0.00 0.19 -1.70 2.20 0.19 0.14 114.94 114.61 1x2q s ASN 57 Ca -0.04 -1.08 -0.18 0.00 -0.94 0.00 0.00 52.86 50.62 1x2q s ASN 57 Cb -0.09 0.53 0.16 0.00 -2.00 0.00 0.00 41.25 39.85 1x2q s ASN 57 CO 0.01 -1.06 1.36 0.00 -2.94 0.00 0.00 177.10 174.48 1x2q n HIS 58 N -0.35 -0.06 -0.22 1.54 1.44 -1.26 0.19 115.22 116.50 1x2q n HIS 58 Ca -0.00 1.09 0.03 0.00 -2.01 0.00 0.00 57.72 56.82 1x2q n HIS 58 Cb 0.63 -0.78 0.14 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 0.28 0.00 -1.40 3.08 -1.97 -3.48 114.38 110.90 1x2q h ARG 59 Ca 0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1x2q h ARG 59 Cb 0.49 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1x2q h ARG 59 CO -0.86 0.19 0.00 0.41 -1.07 0.00 0.00 179.97 178.63 1x2q n GLY 60 N -1.33 0.09 3.95 0.04 0.00 0.52 -5.09 105.19 103.37 1x2q n GLY 60 Ca 0.11 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.59 3.93 0.00 -0.61 1.01 -1.26 0.52 121.20 121.20 1x2q s ILE 61 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1x2q s ILE 61 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1x2q s ILE 61 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.39 1x2q n GLY 62 N -1.56 1.95 3.85 6.18 0.00 -1.14 -4.67 105.19 109.79 1x2q n GLY 62 Ca -0.01 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 4.24 0.08 0.99 2.01 -1.23 -3.41 118.68 121.36 1x2q s LEU 63 Ca 0.00 1.15 -0.27 0.00 0.01 0.00 0.00 54.13 55.03 1x2q s LEU 63 Cb 0.00 -3.60 0.08 0.00 0.01 0.00 0.00 46.19 42.68 1x2q s LEU 63 CO 0.00 -0.02 0.88 0.72 1.01 0.00 0.00 176.35 178.95 1x2q s PHE 64 N -1.67 -0.28 0.22 0.29 -0.71 -0.70 0.20 117.98 115.34 1x2q s PHE 64 Ca 0.45 0.06 -0.30 0.00 -1.04 0.00 0.00 56.93 56.10 1x2q s PHE 64 Cb -0.13 0.58 -0.08 0.00 -1.21 0.00 0.00 43.02 42.18 1x2q s PHE 64 CO 0.20 -0.70 1.10 -1.25 -1.34 0.00 0.00 175.22 173.23 1x2q s PRO 65 N -3.26 4.61 0.00 1.99 0.04 -1.26 0.11 135.00 137.23 1x2q s PRO 65 Ca 0.08 1.76 0.30 0.00 0.04 0.00 0.00 61.00 63.18 1x2q s PRO 65 Cb -0.01 -3.24 1.54 0.00 0.04 0.00 0.00 34.50 32.82 1x2q s PRO 65 CO -0.05 0.12 2.05 -1.13 0.04 0.00 0.00 177.00 178.04 1x2q n SER 66 N 1.92 0.06 0.08 6.66 3.41 -1.25 -2.68 113.62 121.81 1x2q n SER 66 Ca 0.01 -0.30 0.12 0.00 -0.26 0.00 0.00 58.87 58.44 1x2q n SER 66 Cb 0.45 -0.22 0.27 0.00 -0.26 0.00 0.00 64.21 64.45 1x2q n SER 66 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x2q n ASN 67 N -1.21 0.74 0.07 4.04 2.85 -1.26 -3.45 115.26 117.05 1x2q n ASN 67 Ca 0.16 0.31 -0.04 0.00 -0.11 0.00 0.00 54.58 54.90 1x2q n ASN 67 Cb 0.23 -0.24 -0.07 0.00 1.24 0.00 0.00 39.78 40.93 1x2q n ASN 67 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1x2q h PHE 68 N 0.00 0.00 -0.74 1.20 -1.00 -1.91 -3.47 116.94 111.02 1x2q h PHE 68 Ca 0.00 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.28 1x2q h PHE 68 Cb 0.74 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.31 1x2q h PHE 68 CO 0.00 0.81 -0.12 0.14 -1.61 0.00 0.00 178.31 177.53 1x2q s VAL 69 N -2.79 2.05 -0.02 -0.55 -7.23 -1.22 0.15 120.40 110.78 1x2q s VAL 69 Ca 0.01 -1.07 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1x2q s VAL 69 Cb 0.09 -2.12 0.03 0.00 0.56 0.00 0.00 36.38 34.94 1x2q s VAL 69 CO 0.80 0.00 0.04 0.28 -0.31 0.00 0.00 175.10 175.91 1x2q s THR 70 N -2.69 -0.07 -0.72 5.32 -1.32 -0.43 -4.76 115.64 110.97 1x2q s THR 70 Ca 0.58 0.26 -0.10 0.00 -1.21 0.00 0.00 61.69 61.22 1x2q s THR 70 Cb -0.05 -0.10 -0.08 0.00 -1.51 0.00 0.00 72.50 70.76 1x2q s THR 70 CO 0.36 0.11 1.89 0.35 -2.21 0.00 0.00 174.62 175.12 1x2q n THR 71 N 4.39 1.86 0.00 5.08 -2.24 -1.26 -2.68 114.28 119.43 1x2q n THR 71 Ca -0.24 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.32 1x2q n THR 71 Cb 0.50 -2.08 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 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 5.26 0.00 -0.13 3.42 2.85 -1.26 -5.04 115.26 120.36 1x2q n ASN 72 Ca 0.40 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.83 1x2q n ASN 72 Cb 0.19 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.24 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 -0.28 -7.00 1.20 3.38 -1.83 -3.42 115.31 107.36 1x2q h LEU 73 Ca 0.00 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1x2q h LEU 73 Cb 0.00 0.22 -0.21 0.00 0.09 0.00 0.00 40.66 40.76 1x2q h LEU 73 CO 0.00 -0.10 0.47 0.54 0.09 0.00 0.00 178.44 179.45 1x2q s ASN 74 N -5.24 -0.42 -0.54 -0.43 4.22 -1.26 -4.85 114.94 106.43 1x2q s ASN 74 Ca -0.14 0.37 -0.28 0.00 -2.14 0.00 0.00 52.86 50.67 1x2q s ASN 74 Cb 0.15 0.36 0.02 0.00 1.28 0.00 0.00 41.25 43.06 1x2q s ASN 74 CO 0.71 -0.45 1.30 -0.63 -2.04 0.00 0.00 177.10 175.99 1x2q s ILE 75 N -1.58 3.94 0.95 0.54 1.01 -1.26 -4.99 121.20 119.80 1x2q s ILE 75 Ca -0.02 0.86 -0.11 0.00 0.00 0.00 0.00 60.65 61.39 1x2q s ILE 75 Cb -0.00 -4.53 0.16 0.00 0.01 0.00 0.00 42.46 38.10 1x2q s ILE 75 CO 0.01 -1.15 1.11 -1.83 0.00 0.00 0.00 174.94 173.08 1x2q s GLU 76 N 5.10 0.75 0.35 2.79 -1.05 -1.26 -4.93 118.70 120.45 1x2q s GLU 76 Ca 0.50 1.31 -0.28 0.00 -0.15 0.00 0.00 54.97 56.35 1x2q s GLU 76 Cb -0.09 -1.71 -0.10 0.00 -0.44 0.00 0.00 34.13 31.78 1x2q s GLU 76 CO 0.27 -2.73 1.36 0.95 0.95 0.00 0.00 175.26 176.06 1x2q s THR 77 N -2.66 2.51 0.33 1.83 -4.23 -1.26 -5.02 115.64 107.13 1x2q s THR 77 Ca 0.66 0.51 0.03 0.00 -1.18 0.00 0.00 61.69 61.71 1x2q s THR 77 Cb -0.22 -3.32 -0.05 0.00 1.34 0.00 0.00 72.50 70.25 1x2q s THR 77 CO 0.59 0.12 0.10 -1.61 -0.54 0.00 0.00 174.62 173.28 1x2q s GLU 78 N -1.93 1.65 -0.33 3.99 2.02 -1.26 -5.14 118.70 117.70 1x2q s GLU 78 Ca 0.51 -1.94 0.02 0.00 0.02 0.00 0.00 54.97 53.58 1x2q s GLU 78 Cb -0.42 -0.52 0.19 0.00 0.10 0.00 0.00 34.13 33.48 1x2q s GLU 78 CO 0.55 -0.33 0.72 0.00 0.02 0.00 0.00 175.26 176.22 1x2q s ALA 79 N -3.44 -2.86 0.37 5.21 0.00 -1.26 -5.16 121.76 114.61 1x2q s ALA 79 Ca 0.34 0.88 0.08 0.00 0.00 0.00 0.00 51.96 53.25 1x2q s ALA 79 Cb 0.06 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1x2q s ALA 79 CO 0.15 -2.05 0.31 0.00 0.00 0.00 0.00 175.76 174.16 1x2q s ALA 80 N 2.48 3.88 0.10 0.00 0.00 -1.26 -5.04 121.76 121.92 1x2q s ALA 80 Ca 0.15 -1.79 -0.35 0.00 0.00 0.00 0.00 51.96 49.97 1x2q s ALA 80 Cb -0.06 -1.03 -0.18 0.00 0.00 0.00 0.00 23.12 21.86 1x2q s ALA 80 CO -0.19 -0.09 0.94 0.00 0.00 0.00 0.00 175.76 176.42 1x2q n ALA 81 N -1.42 -2.75 -2.26 0.00 0.00 -1.26 -4.91 120.51 107.91 1x2q n ALA 81 Ca 0.00 0.52 -0.30 0.00 0.00 0.00 0.00 53.44 53.67 1x2q n ALA 81 Cb 0.61 -1.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.30 4.84 0.19 0.00 -7.23 -1.26 -4.98 120.40 111.65 1x2q s VAL 82 Ca 0.79 0.49 -0.29 0.00 -1.81 0.00 0.00 61.98 61.16 1x2q s VAL 82 Cb -1.08 -3.73 -0.17 0.00 0.56 0.00 0.00 36.38 31.96 1x2q s VAL 82 CO 0.55 -0.48 0.60 -1.20 -0.31 0.00 0.00 175.10 174.26 1x2q n SER 83 N -1.23 -0.97 -3.41 4.85 7.64 -1.26 -4.94 113.62 114.29 1x2q n SER 83 Ca 0.01 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1x2q n SER 83 Cb 0.54 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1x2q n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2q n GLY 84 N 1.91 -2.41 3.77 0.23 0.00 -1.26 -4.97 105.19 102.47 1x2q n GLY 84 Ca 0.18 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1x2q n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2q s PRO 85 N -0.53 4.40 0.34 1.61 0.04 -1.26 -5.05 135.00 134.55 1x2q s PRO 85 Ca 0.00 1.64 0.05 0.00 0.04 0.00 0.00 61.00 62.73 1x2q s PRO 85 Cb 0.00 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1x2q s PRO 85 CO 0.00 0.04 0.48 -1.12 0.04 0.00 0.00 177.00 176.45 1x2q s SER 86 N -1.25 6.01 0.70 6.66 0.01 -1.26 -5.11 113.70 119.47 1x2q s SER 86 Ca 0.51 -0.08 -0.11 0.00 1.31 0.00 0.00 55.95 57.58 1x2q s SER 86 Cb -0.27 -1.37 0.02 0.00 0.21 0.00 0.00 66.02 64.61 1x2q s SER 86 CO 0.34 -0.41 1.09 -0.55 0.41 0.00 0.00 173.24 174.11 1x2q s SER 87 N -4.15 5.42 0.00 2.44 0.15 -1.26 -5.33 113.70 110.97 1x2q s SER 87 Ca 0.44 1.09 0.04 0.00 0.70 0.00 0.00 55.95 58.22 1x2q s SER 87 Cb -0.10 -1.89 0.03 0.00 -1.71 0.00 0.00 66.02 62.36 1x2q s SER 87 CO 0.32 -1.34 0.62 0.61 1.20 0.00 0.00 173.24 174.65