#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 5.05 -0.18 1.61 0.01 -1.26 -4.87 113.70 114.06 1x2q s SER 2 Ca 0.00 -2.58 -0.08 0.00 1.31 0.00 0.00 55.95 54.60 1x2q s SER 2 Cb 0.00 -1.79 0.03 0.00 0.21 0.00 0.00 66.02 64.47 1x2q s SER 2 CO 0.00 -0.40 0.16 -0.24 0.41 0.00 0.00 173.24 173.17 1x2q n SER 3 N 3.81 -2.11 0.00 2.44 2.88 -1.26 -5.05 113.62 114.32 1x2q n SER 3 Ca 0.04 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1x2q n SER 3 Cb 0.38 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.32 1x2q n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2q n GLY 4 N 1.20 -0.16 3.86 0.46 0.00 -1.26 -5.04 105.19 104.25 1x2q n GLY 4 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1x2q n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2q s SER 5 N -3.83 6.69 -0.28 1.61 0.01 -1.26 -5.08 113.70 111.56 1x2q s SER 5 Ca 0.00 0.91 -0.20 0.00 1.31 0.00 0.00 55.95 57.97 1x2q s SER 5 Cb 0.00 -2.22 0.08 0.00 0.21 0.00 0.00 66.02 64.09 1x2q s SER 5 CO 0.00 0.08 0.74 -0.55 0.41 0.00 0.00 173.24 173.92 1x2q s SER 6 N -1.94 -0.80 0.24 2.44 0.15 -1.26 -5.15 113.70 107.37 1x2q s SER 6 Ca 0.39 1.40 -0.21 0.00 0.70 0.00 0.00 55.95 58.23 1x2q s SER 6 Cb -0.14 1.38 0.06 0.00 -1.71 0.00 0.00 66.02 65.61 1x2q s SER 6 CO 0.20 -0.23 0.90 -0.83 1.20 0.00 0.00 173.24 174.48 1x2q s GLY 7 N 0.99 0.02 0.17 9.45 0.00 -1.26 -5.19 107.32 111.51 1x2q s GLY 7 Ca -0.05 -0.28 -0.24 0.00 0.00 0.00 0.00 44.72 44.16 1x2q s GLY 7 CO -0.10 0.57 0.79 -0.45 0.00 0.00 0.00 173.10 173.92 1x2q s SER 8 N -3.09 -0.32 -0.00 1.64 0.15 -1.26 -5.17 113.70 105.64 1x2q s SER 8 Ca 0.15 -0.31 0.04 0.00 0.70 0.00 0.00 55.95 56.53 1x2q s SER 8 Cb -0.03 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.84 1x2q s SER 8 CO 0.06 -1.01 -0.14 -1.83 1.20 0.00 0.00 173.24 171.52 1x2q s GLU 9 N -3.56 1.07 0.14 5.44 -1.05 -1.26 -5.10 118.70 114.38 1x2q s GLU 9 Ca 0.08 -0.54 -0.32 0.00 -0.15 0.00 0.00 54.97 54.05 1x2q s GLU 9 Cb -0.03 -1.05 -0.11 0.00 -0.44 0.00 0.00 34.13 32.50 1x2q s GLU 9 CO -0.01 0.28 1.81 -0.89 0.95 0.00 0.00 175.26 177.40 1x2q n ILE 10 N 2.59 0.27 0.13 1.83 -0.00 -1.26 -4.76 119.36 118.17 1x2q n ILE 10 Ca -0.15 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.55 1x2q n ILE 10 Cb 0.55 -2.08 0.00 0.00 -0.00 0.00 0.00 39.64 38.11 1x2q n ILE 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1x2q n GLN 11 N 5.19 0.00 -3.32 0.38 6.02 -1.26 -5.10 117.38 119.30 1x2q n GLN 11 Ca 0.18 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.88 1x2q n GLN 11 Cb 0.36 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.65 1x2q n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x2q n LEU 12 N -3.29 -3.98 -3.63 1.08 4.32 -1.26 -5.01 117.00 105.24 1x2q n LEU 12 Ca 0.00 0.08 -0.02 0.00 -0.02 0.00 0.00 56.01 56.05 1x2q n LEU 12 Cb 0.00 -2.06 -0.06 0.00 -1.62 0.00 0.00 43.42 39.67 1x2q n LEU 12 CO 0.00 -0.73 0.68 0.20 -1.22 0.00 0.00 177.39 176.31 1x2q s ASN 13 N -1.70 -0.51 -0.62 -1.43 0.01 -1.26 -5.11 114.94 104.33 1x2q s ASN 13 Ca 0.32 0.80 -0.21 0.00 -0.71 0.00 0.00 52.86 53.06 1x2q s ASN 13 Cb -0.04 1.24 0.08 0.00 0.41 0.00 0.00 41.25 42.94 1x2q s ASN 13 CO 0.79 -0.12 0.83 0.21 -1.51 0.00 0.00 177.10 177.29 1x2q s ASN 14 N 1.43 6.18 0.37 -1.22 2.47 -1.26 -5.01 114.94 117.89 1x2q s ASN 14 Ca -0.09 -1.18 0.08 0.00 0.42 0.00 0.00 52.86 52.10 1x2q s ASN 14 Cb -0.04 -2.36 -0.06 0.00 -1.45 0.00 0.00 41.25 37.34 1x2q s ASN 14 CO -0.15 -1.26 0.01 -0.75 -3.72 0.00 0.00 177.10 171.23 1x2q s LYS 15 N 3.35 2.01 -0.23 0.43 2.20 -1.26 -5.12 119.74 121.12 1x2q s LYS 15 Ca 0.17 -1.89 -0.10 0.00 -0.36 0.00 0.00 55.97 53.79 1x2q s LYS 15 Cb -0.20 -1.81 -0.05 0.00 -1.51 0.00 0.00 37.83 34.26 1x2q s LYS 15 CO 0.09 0.06 0.13 0.14 -0.36 0.00 0.00 175.35 175.41 1x2q s VAL 16 N -2.60 5.17 0.43 4.02 -7.23 -1.26 -5.09 120.40 113.84 1x2q s VAL 16 Ca 0.35 0.11 0.07 0.00 -1.81 0.00 0.00 61.98 60.70 1x2q s VAL 16 Cb 0.03 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 1x2q s VAL 16 CO 0.19 0.37 0.24 0.00 -0.31 0.00 0.00 175.10 175.59 1x2q s ALA 17 N 0.93 3.78 -0.61 1.32 0.00 -1.26 -5.08 121.76 120.85 1x2q s ALA 17 Ca 0.07 -1.94 -0.19 0.00 0.00 0.00 0.00 51.96 49.89 1x2q s ALA 17 Cb -0.13 -0.54 0.11 0.00 0.00 0.00 0.00 23.12 22.55 1x2q s ALA 17 CO 0.03 -0.20 0.71 0.50 0.00 0.00 0.00 175.76 176.80 1x2q s ARG 18 N -3.99 3.07 0.36 0.00 3.52 -1.24 -4.99 118.95 115.68 1x2q s ARG 18 Ca 0.41 -1.37 -0.09 0.00 -0.13 0.00 0.00 55.73 54.55 1x2q s ARG 18 Cb 0.02 -4.29 -0.06 0.00 -1.56 0.00 0.00 34.95 29.05 1x2q s ARG 18 CO 0.23 -1.54 0.70 0.15 -0.81 0.00 0.00 175.30 174.04 1x2q s LYS 19 N 2.60 3.75 -0.03 5.12 1.02 -1.26 0.19 119.74 131.12 1x2q s LYS 19 Ca 0.12 0.35 -0.15 0.00 0.02 0.00 0.00 55.97 56.31 1x2q s LYS 19 Cb -0.23 -2.47 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1x2q s LYS 19 CO 0.05 0.05 0.32 0.14 -0.92 0.00 0.00 175.35 175.00 1x2q s VAL 20 N -2.26 0.05 -0.24 3.17 -7.23 0.43 -4.54 120.40 109.78 1x2q s VAL 20 Ca 0.49 -0.39 -0.09 0.00 -1.81 0.00 0.00 61.98 60.19 1x2q s VAL 20 Cb -0.10 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 1x2q s VAL 20 CO 0.30 -0.21 0.11 -0.60 -0.31 0.00 0.00 175.10 174.39 1x2q s ARG 21 N -1.08 3.86 0.07 4.82 6.06 -1.05 0.10 118.95 131.74 1x2q s ARG 21 Ca -0.11 -0.38 -0.31 0.00 -2.50 0.00 0.00 55.73 52.43 1x2q s ARG 21 Cb -0.05 -3.42 -0.09 0.00 0.06 0.00 0.00 34.95 31.46 1x2q s ARG 21 CO 0.04 -0.05 1.75 0.00 -2.50 0.00 0.00 175.30 174.54 1x2q s ALA 22 N 1.29 3.69 -0.07 6.12 0.00 0.04 -1.28 121.76 131.56 1x2q s ALA 22 Ca 0.06 1.28 -0.20 0.00 0.00 0.00 0.00 51.96 53.10 1x2q s ALA 22 Cb -0.15 -3.74 -0.29 0.00 0.00 0.00 0.00 23.12 18.94 1x2q s ALA 22 CO 0.05 -1.23 0.75 -0.07 0.00 0.00 0.00 175.76 175.25 1x2q h LEU 23 N 8.99 0.41 -9.41 0.00 3.38 0.17 1.45 115.31 120.31 1x2q h LEU 23 Ca -0.44 -0.90 -0.59 0.00 0.09 0.00 0.00 57.88 56.03 1x2q h LEU 23 Cb 1.21 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.69 1x2q h LEU 23 CO 0.94 1.47 -0.67 -0.31 0.09 0.00 0.00 178.44 179.97 1x2q s TYR 24 N -2.44 2.33 -0.28 1.13 2.02 -1.18 -4.57 117.35 114.35 1x2q s TYR 24 Ca -0.16 -0.57 -0.24 0.00 -0.37 0.00 0.00 57.07 55.72 1x2q s TYR 24 Cb 0.02 -1.39 -0.00 0.00 -0.40 0.00 0.00 41.96 40.19 1x2q s TYR 24 CO 0.80 0.49 0.83 0.16 -1.57 0.00 0.00 175.55 176.26 1x2q s ASP 25 N -3.59 6.76 0.51 2.29 1.47 -1.26 -3.06 116.67 119.78 1x2q s ASP 25 Ca 0.32 0.85 0.08 0.00 1.18 0.00 0.00 52.55 54.98 1x2q s ASP 25 Cb 0.04 -2.43 0.04 0.00 -0.34 0.00 0.00 42.92 40.23 1x2q s ASP 25 CO 0.16 -0.60 0.56 0.12 0.68 0.00 0.00 175.17 176.09 1x2q s PHE 26 N 2.98 1.92 -0.30 2.11 5.36 -0.09 -4.86 117.98 125.11 1x2q s PHE 26 Ca 0.35 -0.67 -0.11 0.00 -0.96 0.00 0.00 56.93 55.54 1x2q s PHE 26 Cb -0.14 -2.14 0.17 0.00 -0.34 0.00 0.00 43.02 40.57 1x2q s PHE 26 CO 0.11 -0.64 0.89 -2.00 -1.46 0.00 0.00 175.22 172.12 1x2q s GLU 27 N -4.40 0.35 0.09 10.12 2.12 -1.26 -3.88 118.70 121.84 1x2q s GLU 27 Ca 0.50 0.73 -0.35 0.00 0.36 0.00 0.00 54.97 56.21 1x2q s GLU 27 Cb -0.05 0.42 -0.19 0.00 0.26 0.00 0.00 34.13 34.58 1x2q s GLU 27 CO 0.31 -0.26 0.83 0.00 -0.54 0.00 0.00 175.26 175.60 1x2q n ALA 28 N 5.28 -3.31 -0.05 6.30 0.00 -1.18 -4.86 120.51 122.68 1x2q n ALA 28 Ca -0.07 0.53 -0.06 0.00 0.00 0.00 0.00 53.44 53.84 1x2q n ALA 28 Cb 0.52 -1.69 -0.08 0.00 0.00 0.00 0.00 19.45 18.20 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 0.84 0.74 -2.94 0.00 3.14 -1.26 -5.03 118.33 113.81 1x2q n VAL 29 Ca 0.19 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1x2q n VAL 29 Cb 0.16 -0.75 0.00 0.00 -1.06 0.00 0.00 33.84 32.18 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 -2.46 1.42 -1.70 1.45 1.02 -1.26 -5.01 120.64 114.09 1x2q n GLU 30 Ca -0.18 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.59 1x2q n GLU 30 Cb 0.84 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 32.31 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 -2.36 7.32 0.00 1.62 9.92 -1.26 -4.37 116.55 127.43 1x2q n ASP 31 Ca 0.00 -3.81 0.00 0.00 -0.53 0.00 0.00 54.79 50.45 1x2q n ASP 31 Cb 0.00 -0.96 0.00 0.00 -0.64 0.00 0.00 41.12 39.52 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 -0.71 0.00 -4.02 -2.24 5.15 -1.26 -5.17 115.26 107.01 1x2q n ASN 32 Ca 0.57 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 54.33 1x2q n ASN 32 Cb 0.48 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.64 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 0.00 1.73 -0.16 1.20 2.02 -1.26 -3.97 118.70 118.26 1x2q s GLU 33 Ca 0.00 -2.02 -0.10 0.00 0.02 0.00 0.00 54.97 52.87 1x2q s GLU 33 Cb 0.00 -0.31 -0.05 0.00 0.10 0.00 0.00 34.13 33.88 1x2q s GLU 33 CO 0.00 -0.46 0.18 -1.17 0.02 0.00 0.00 175.26 173.84 1x2q s LEU 34 N -3.47 4.28 -0.34 1.80 0.20 0.52 -4.03 118.68 117.65 1x2q s LEU 34 Ca 0.32 0.40 -0.06 0.00 0.69 0.00 0.00 54.13 55.48 1x2q s LEU 34 Cb 0.04 -2.18 0.05 0.00 -0.43 0.00 0.00 46.19 43.67 1x2q s LEU 34 CO 0.17 0.23 0.10 -0.89 -0.29 0.00 0.00 176.35 175.68 1x2q s THR 35 N -0.07 3.66 0.28 3.68 2.01 -1.26 -3.12 115.64 120.81 1x2q s THR 35 Ca 0.13 -1.24 -0.10 0.00 0.31 0.00 0.00 61.69 60.79 1x2q s THR 35 Cb -0.12 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 69.27 1x2q s THR 35 CO 0.02 -0.22 0.48 0.72 -0.69 0.00 0.00 174.62 174.93 1x2q s PHE 36 N 1.37 0.56 0.31 4.92 -0.12 -1.25 -4.80 117.98 118.97 1x2q s PHE 36 Ca -0.01 -0.90 0.00 0.00 -0.05 0.00 0.00 56.93 55.96 1x2q s PHE 36 Cb -0.20 0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.31 1x2q s PHE 36 CO 0.02 -1.04 0.02 1.63 -0.05 0.00 0.00 175.22 175.79 1x2q n LYS 37 N -0.43 1.23 -2.54 1.99 4.76 -1.26 -0.91 118.16 121.00 1x2q n LYS 37 Ca -0.01 -2.27 -0.34 0.00 -2.87 0.00 0.00 58.31 52.82 1x2q n LYS 37 Cb 0.62 0.58 -0.03 0.00 -1.84 0.00 0.00 35.03 34.36 1x2q n LYS 37 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1x2q s HIS 38 N -2.10 3.01 0.00 2.13 -3.43 -1.17 -3.74 115.29 109.99 1x2q s HIS 38 Ca 0.01 1.58 0.00 0.00 -0.80 0.00 0.00 55.06 55.85 1x2q s HIS 38 Cb -0.00 -3.08 0.00 0.00 -1.43 0.00 0.00 32.58 28.07 1x2q s HIS 38 CO 0.01 -0.84 0.00 0.41 -2.00 0.00 0.00 174.74 172.32 1x2q n GLY 39 N -0.18 1.94 3.18 -1.38 0.00 0.50 -4.91 105.19 104.33 1x2q n GLY 39 Ca 0.09 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.44 1.61 1.02 -1.25 -3.69 120.64 114.89 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 -0.95 -0.05 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.19 4.95 -0.04 -3.67 -1.09 -1.26 -0.78 121.20 118.12 1x2q s ILE 41 Ca 0.59 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 59.59 1x2q s ILE 41 Cb -0.78 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 36.46 1x2q s ILE 41 CO 0.55 0.12 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.74 1x2q s ILE 42 N -1.59 0.36 -0.48 2.92 1.01 0.12 -4.54 121.20 118.98 1x2q s ILE 42 Ca 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.83 1x2q s ILE 42 Cb -0.13 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 41.94 1x2q s ILE 42 CO 0.20 0.20 0.79 -0.63 0.00 0.00 0.00 174.94 175.50 1x2q s ILE 43 N 1.11 4.62 -0.01 2.92 1.09 0.50 -0.43 121.20 131.01 1x2q s ILE 43 Ca -0.08 0.25 -0.30 0.00 -1.10 0.00 0.00 60.65 59.42 1x2q s ILE 43 Cb -0.14 -4.37 -0.05 0.00 -1.06 0.00 0.00 42.46 36.85 1x2q s ILE 43 CO -0.01 -0.82 1.29 -0.69 -0.10 0.00 0.00 174.94 174.61 1x2q s VAL 44 N 3.34 3.95 -0.21 2.92 1.01 0.49 0.18 120.40 132.09 1x2q s VAL 44 Ca 0.28 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.52 1x2q s VAL 44 Cb -0.13 -3.86 -0.20 0.00 0.00 0.00 0.00 36.38 32.20 1x2q s VAL 44 CO 0.20 0.02 0.01 0.18 0.00 0.00 0.00 175.10 175.51 1x2q n LEU 45 N 5.05 2.55 -3.91 3.92 4.77 0.40 -3.74 117.00 126.04 1x2q n LEU 45 Ca 0.12 0.13 -0.18 0.00 -0.03 0.00 0.00 56.01 56.04 1x2q n LEU 45 Cb 0.45 -0.97 -0.16 0.00 -2.33 0.00 0.00 43.42 40.41 1x2q n LEU 45 CO 0.57 0.76 -0.40 -0.62 -1.33 0.00 0.00 177.39 176.37 1x2q s ASP 46 N -6.90 0.79 -0.34 -1.43 -1.08 0.08 -5.03 116.67 102.75 1x2q s ASP 46 Ca -0.31 -0.11 0.13 0.00 -0.52 0.00 0.00 52.55 51.74 1x2q s ASP 46 Cb 0.09 -0.30 0.46 0.00 -1.46 0.00 0.00 42.92 41.70 1x2q s ASP 46 CO 0.64 -0.02 1.07 -0.90 0.52 0.00 0.00 175.17 176.48 1x2q n ASP 47 N 3.69 3.18 -0.06 -0.34 5.75 -1.26 -1.56 116.55 125.95 1x2q n ASP 47 Ca -0.22 -3.12 -0.11 0.00 -0.01 0.00 0.00 54.79 51.33 1x2q n ASP 47 Cb 0.53 -0.46 -0.10 0.00 -1.03 0.00 0.00 41.12 40.05 1x2q n ASP 47 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1x2q h SER 48 N 2.65 -0.01 -3.69 -1.12 0.02 -1.96 -3.44 113.55 106.00 1x2q h SER 48 Ca 0.11 -0.76 -0.63 0.00 -0.84 0.00 0.00 61.79 59.68 1x2q h SER 48 Cb 1.17 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.56 1x2q h SER 48 CO 0.61 0.86 -0.44 -0.62 -1.14 0.00 0.00 176.83 176.10 1x2q s ASP 49 N -6.04 6.14 0.32 3.07 2.15 -1.26 -4.95 116.67 116.11 1x2q s ASP 49 Ca -0.15 0.14 0.12 0.00 0.43 0.00 0.00 52.55 53.10 1x2q s ASP 49 Cb -0.02 -2.14 0.55 0.00 -0.30 0.00 0.00 42.92 41.01 1x2q s ASP 49 CO 0.54 -0.02 1.72 0.00 -0.17 0.00 0.00 175.17 177.24 1x2q h ALA 50 N 7.86 1.16 -0.30 3.66 0.00 -1.99 -2.95 119.26 126.70 1x2q h ALA 50 Ca -0.36 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.12 1x2q h ALA 50 Cb 1.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1x2q h ALA 50 CO 0.63 0.61 0.17 -0.91 0.00 0.00 0.00 179.25 179.75 1x2q h ASN 51 N 0.00 0.28 -3.34 0.00 2.35 -1.93 -3.31 115.58 109.63 1x2q h ASN 51 Ca -0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 1x2q h ASN 51 Cb 0.89 -0.06 -0.35 0.00 0.05 0.00 0.00 38.32 38.85 1x2q h ASN 51 CO 0.06 0.21 -0.80 0.26 -1.65 0.00 0.00 177.43 175.51 1x2q s TRP 52 N -6.17 1.31 -0.12 1.19 0.52 -1.11 -4.32 118.94 110.24 1x2q s TRP 52 Ca -0.13 -0.53 -0.01 0.00 0.02 0.00 0.00 56.10 55.45 1x2q s TRP 52 Cb 0.10 -1.04 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 1x2q s TRP 52 CO 0.71 -0.34 -0.08 -1.58 0.02 0.00 0.00 176.95 175.67 1x2q s TRP 53 N 1.09 2.91 -0.42 -1.98 0.52 0.40 -4.11 118.94 117.35 1x2q s TRP 53 Ca -0.07 -0.33 -0.18 0.00 0.02 0.00 0.00 56.10 55.55 1x2q s TRP 53 Cb -0.14 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.36 1x2q s TRP 53 CO -0.01 0.01 0.46 0.21 0.02 0.00 0.00 176.95 177.64 1x2q s LYS 54 N 0.00 3.14 0.35 4.98 2.20 -0.60 -2.08 119.74 127.73 1x2q s LYS 54 Ca -0.01 -0.69 0.05 0.00 -0.36 0.00 0.00 55.97 54.96 1x2q s LYS 54 Cb -0.14 -3.96 -0.03 0.00 -1.51 0.00 0.00 37.83 32.20 1x2q s LYS 54 CO 0.03 -0.85 0.20 0.20 -0.36 0.00 0.00 175.35 174.57 1x2q s GLY 55 N 1.83 2.34 0.03 5.54 0.00 -1.22 0.15 107.32 115.99 1x2q s GLY 55 Ca 0.13 -1.73 0.03 0.00 0.00 0.00 0.00 44.72 43.15 1x2q s GLY 55 CO 0.14 -1.60 -0.09 1.85 0.00 0.00 0.00 173.10 173.40 1x2q s GLU 56 N -3.63 0.59 0.21 2.90 -6.30 0.47 -2.93 118.70 110.01 1x2q s GLU 56 Ca 0.34 -0.65 -0.06 0.00 -2.50 0.00 0.00 54.97 52.11 1x2q s GLU 56 Cb 0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 34.13 33.68 1x2q s GLU 56 CO 0.21 0.10 0.25 0.54 0.02 0.00 0.00 175.26 176.38 1x2q s ASN 57 N -1.21 0.07 0.21 -1.70 2.20 0.13 0.19 114.94 114.83 1x2q s ASN 57 Ca -0.05 -1.18 -0.16 0.00 -0.94 0.00 0.00 52.86 50.53 1x2q s ASN 57 Cb -0.08 0.45 0.23 0.00 -2.00 0.00 0.00 41.25 39.85 1x2q s ASN 57 CO 0.01 -0.93 1.43 0.00 -2.94 0.00 0.00 177.10 174.66 1x2q n HIS 58 N -0.29 0.05 -0.12 1.54 1.44 -1.26 0.12 115.22 116.69 1x2q n HIS 58 Ca -0.01 1.13 -0.05 0.00 -2.01 0.00 0.00 57.72 56.79 1x2q n HIS 58 Cb 0.64 -0.86 0.01 0.00 0.12 0.00 0.00 29.99 29.91 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 -0.08 0.00 -1.40 3.08 -1.96 -3.48 114.38 110.54 1x2q h ARG 59 Ca 0.33 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1x2q h ARG 59 Cb 0.56 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1x2q h ARG 59 CO -0.92 -0.05 0.00 0.41 -1.07 0.00 0.00 179.97 178.34 1x2q n GLY 60 N -1.36 -0.40 3.95 0.04 0.00 0.32 -5.12 105.19 102.62 1x2q n GLY 60 Ca 0.02 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.35 4.18 0.00 -0.61 1.09 -1.26 0.18 121.20 121.43 1x2q s ILE 61 Ca 0.00 -1.09 0.00 0.00 -1.10 0.00 0.00 60.65 58.46 1x2q s ILE 61 Cb 0.00 -3.44 0.00 0.00 -1.06 0.00 0.00 42.46 37.96 1x2q s ILE 61 CO 0.00 -0.20 0.00 0.61 -0.10 0.00 0.00 174.94 175.25 1x2q n GLY 62 N -1.53 1.52 3.88 6.18 0.00 -1.15 -4.69 105.19 109.41 1x2q n GLY 62 Ca -0.02 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 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 4.19 0.01 0.99 2.01 -1.25 -3.39 118.68 121.24 1x2q s LEU 63 Ca 0.00 0.89 -0.29 0.00 0.01 0.00 0.00 54.13 54.74 1x2q s LEU 63 Cb 0.00 -3.60 0.10 0.00 0.01 0.00 0.00 46.19 42.69 1x2q s LEU 63 CO 0.00 -0.04 0.98 0.72 1.01 0.00 0.00 176.35 179.02 1x2q s PHE 64 N -1.77 -0.24 0.33 0.29 -0.71 -0.88 0.20 117.98 115.20 1x2q s PHE 64 Ca 0.46 0.07 -0.27 0.00 -1.04 0.00 0.00 56.93 56.15 1x2q s PHE 64 Cb -0.12 0.56 -0.09 0.00 -1.21 0.00 0.00 43.02 42.17 1x2q s PHE 64 CO 0.21 -0.55 1.07 -1.25 -1.34 0.00 0.00 175.22 173.36 1x2q s PRO 65 N -3.02 4.44 0.00 1.99 0.04 -1.26 0.15 135.00 137.34 1x2q s PRO 65 Ca 0.08 1.65 0.29 0.00 0.04 0.00 0.00 61.00 63.07 1x2q s PRO 65 Cb -0.01 -2.90 1.30 0.00 0.04 0.00 0.00 34.50 32.93 1x2q s PRO 65 CO -0.05 0.07 1.89 -1.13 0.04 0.00 0.00 177.00 177.83 1x2q n SER 66 N 0.64 0.57 -0.90 6.66 3.41 -1.25 -3.16 113.62 119.60 1x2q n SER 66 Ca 0.02 -0.80 0.06 0.00 -0.26 0.00 0.00 58.87 57.88 1x2q n SER 66 Cb 0.47 -0.04 0.20 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.77 2.60 -0.03 4.04 3.02 -1.26 -3.65 115.26 119.21 1x2q n ASN 67 Ca 0.17 -2.11 -0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1x2q n ASN 67 Cb 0.26 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 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 0.67 0.00 -3.34 3.10 3.01 -1.19 -4.98 117.46 114.73 1x2q n PHE 68 Ca 0.15 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.39 1x2q n PHE 68 Cb 0.45 -0.40 0.04 0.00 -0.01 0.00 0.00 39.48 39.57 1x2q n PHE 68 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1x2q n VAL 69 N -2.16 0.00 -3.83 -4.37 0.24 -1.24 0.18 118.33 107.16 1x2q n VAL 69 Ca -0.10 -1.99 -0.15 0.00 -2.04 0.00 0.00 64.34 60.06 1x2q n VAL 69 Cb 0.59 -0.35 -0.16 0.00 -1.47 0.00 0.00 33.84 32.46 1x2q n VAL 69 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1x2q s THR 70 N -2.59 0.01 -0.79 3.34 -1.32 -0.40 -4.74 115.64 109.14 1x2q s THR 70 Ca 0.49 0.15 -0.05 0.00 -1.21 0.00 0.00 61.69 61.07 1x2q s THR 70 Cb -0.04 -0.12 -0.05 0.00 -1.51 0.00 0.00 72.50 70.78 1x2q s THR 70 CO 0.31 0.09 2.02 0.35 -2.21 0.00 0.00 174.62 175.19 1x2q n THR 71 N 4.00 2.20 0.00 5.08 -2.24 -1.26 -2.53 114.28 119.53 1x2q n THR 71 Ca -0.25 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.23 1x2q n THR 71 Cb 0.52 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 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 4.18 0.00 0.15 3.42 5.15 -1.26 -5.05 115.26 121.85 1x2q n ASN 72 Ca 0.40 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 54.24 1x2q n ASN 72 Cb 0.14 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.33 1x2q n ASN 72 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1x2q h LEU 73 N 0.00 -0.63 -7.14 1.20 3.38 -1.85 -3.41 115.31 106.86 1x2q h LEU 73 Ca 0.00 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1x2q h LEU 73 Cb 0.00 0.22 -0.19 0.00 0.09 0.00 0.00 40.66 40.78 1x2q h LEU 73 CO 0.00 -0.33 0.07 0.21 0.09 0.00 0.00 178.44 178.47 1x2q s ASN 74 N -4.80 -0.53 -0.53 -0.43 2.47 -1.26 -4.84 114.94 105.02 1x2q s ASN 74 Ca -0.16 0.55 -0.28 0.00 0.42 0.00 0.00 52.86 53.40 1x2q s ASN 74 Cb 0.07 0.48 0.03 0.00 -1.45 0.00 0.00 41.25 40.38 1x2q s ASN 74 CO 0.65 -0.57 1.10 -0.63 -3.72 0.00 0.00 177.10 173.94 1x2q s ILE 75 N -1.23 4.19 0.87 -5.21 1.01 -1.26 -5.01 121.20 114.56 1x2q s ILE 75 Ca -0.12 0.90 -0.12 0.00 0.00 0.00 0.00 60.65 61.31 1x2q s ILE 75 Cb -0.01 -4.62 0.12 0.00 0.01 0.00 0.00 42.46 37.95 1x2q s ILE 75 CO 0.08 -1.13 1.14 -1.61 0.00 0.00 0.00 174.94 173.42 1x2q s GLU 76 N 4.49 1.46 -0.15 2.79 2.02 -1.26 -5.03 118.70 123.02 1x2q s GLU 76 Ca 0.42 0.30 -0.12 0.00 0.02 0.00 0.00 54.97 55.60 1x2q s GLU 76 Cb -0.08 -1.88 -0.07 0.00 0.10 0.00 0.00 34.13 32.20 1x2q s GLU 76 CO 0.27 -1.98 -0.07 1.79 0.02 0.00 0.00 175.26 175.29 1x2q h THR 77 N -1.34 0.23 0.00 3.63 1.35 -1.99 -3.49 112.91 111.30 1x2q h THR 77 Ca -0.49 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1x2q h THR 77 Cb 1.32 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1x2q h THR 77 CO 0.62 0.08 0.00 1.21 -0.25 0.00 0.00 175.52 177.18 1x2q n GLU 78 N -4.59 0.00 0.00 4.72 2.13 -1.26 -5.04 120.64 116.60 1x2q n GLU 78 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1x2q n GLU 78 Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.05 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 -0.89 0.00 -3.00 4.31 0.00 -1.26 -5.07 120.51 114.59 1x2q n ALA 79 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1x2q n ALA 79 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1x2q n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2q n ALA 80 N 0.00 5.12 -3.80 0.00 0.00 -1.26 -4.93 120.51 115.65 1x2q n ALA 80 Ca 0.00 -4.78 -0.03 0.00 0.00 0.00 0.00 53.44 48.63 1x2q n ALA 80 Cb 0.00 -2.38 -0.00 0.00 0.00 0.00 0.00 19.45 17.07 1x2q n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2q s ALA 81 N -2.57 -1.61 -0.27 0.00 0.00 -1.26 -5.10 121.76 110.95 1x2q s ALA 81 Ca 0.31 -0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 1x2q s ALA 81 Cb 0.04 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1x2q s ALA 81 CO 0.09 -1.05 1.42 0.08 0.00 0.00 0.00 175.76 176.30 1x2q s VAL 82 N -2.84 3.98 0.20 0.00 1.01 -1.26 -4.96 120.40 116.51 1x2q s VAL 82 Ca 0.16 1.10 -0.10 0.00 0.00 0.00 0.00 61.98 63.13 1x2q s VAL 82 Cb -0.02 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1x2q s VAL 82 CO 0.04 -0.41 0.36 -0.55 0.00 0.00 0.00 175.10 174.53 1x2q s SER 83 N 3.32 -0.03 0.54 3.32 0.15 -1.26 -5.18 113.70 114.56 1x2q s SER 83 Ca 0.62 -0.88 0.07 0.00 0.70 0.00 0.00 55.95 56.45 1x2q s SER 83 Cb -0.20 0.49 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1x2q s SER 83 CO 0.25 -0.98 0.49 -0.83 1.20 0.00 0.00 173.24 173.37 1x2q s GLY 84 N -2.99 2.20 0.07 9.45 0.00 -1.26 -5.09 107.32 109.71 1x2q s GLY 84 Ca 0.20 -1.52 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 1x2q s GLY 84 CO 0.03 -1.86 1.16 2.56 0.00 0.00 0.00 173.10 175.00 1x2q s PRO 85 N -4.35 4.46 -0.11 2.90 0.04 -1.26 -4.44 135.00 132.24 1x2q s PRO 85 Ca 0.42 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 1x2q s PRO 85 Cb -0.03 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.19 1x2q s PRO 85 CO 0.26 -0.20 0.15 0.45 0.04 0.00 0.00 177.00 177.70 1x2q n SER 86 N 3.77 -3.08 0.20 6.66 2.88 -1.26 -4.87 113.62 117.93 1x2q n SER 86 Ca 0.08 1.25 -0.16 0.00 -1.33 0.00 0.00 58.87 58.71 1x2q n SER 86 Cb 0.47 -4.01 -0.09 0.00 -0.75 0.00 0.00 64.21 59.84 1x2q n SER 86 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x2q h SER 87 N 4.44 -1.28 0.00 -3.46 0.02 -2.03 -3.55 113.55 107.69 1x2q h SER 87 Ca -0.35 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1x2q h SER 87 Cb 0.79 0.45 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1x2q h SER 87 CO 0.01 -0.57 0.00 0.61 -1.14 0.00 0.00 176.83 175.74