#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 -0.57 0.24 1.61 1.04 -1.26 -5.16 113.70 109.61 1x2q s SER 2 Ca 0.00 1.12 -0.06 0.00 0.48 0.00 0.00 55.95 57.49 1x2q s SER 2 Cb 0.00 1.28 -0.06 0.00 0.10 0.00 0.00 66.02 67.35 1x2q s SER 2 CO 0.00 -0.22 0.51 -0.55 0.98 0.00 0.00 173.24 173.96 1x2q s SER 3 N 2.09 6.49 0.00 7.02 0.15 -1.26 -5.04 113.70 123.15 1x2q s SER 3 Ca -0.06 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.31 1x2q s SER 3 Cb -0.10 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1x2q s SER 3 CO -0.15 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1x2q n GLY 4 N -0.56 3.67 1.48 9.45 0.00 -1.26 -5.18 105.19 112.79 1x2q n GLY 4 Ca -0.01 -1.45 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 1x2q n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x2q n SER 5 N 0.00 -0.60 0.19 1.61 3.41 -1.26 -5.09 113.62 111.88 1x2q n SER 5 Ca 0.00 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1x2q n SER 5 Cb 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1x2q n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x2q n SER 6 N -1.90 -3.49 -0.06 4.04 3.41 -1.26 -5.04 113.62 109.32 1x2q n SER 6 Ca 0.00 0.85 0.01 0.00 -0.26 0.00 0.00 58.87 59.47 1x2q n SER 6 Cb 0.26 3.32 -0.00 0.00 -0.26 0.00 0.00 64.21 67.53 1x2q n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x2q n GLY 7 N -1.40 -2.23 3.10 5.00 0.00 -1.26 -4.82 105.19 103.59 1x2q n GLY 7 Ca 0.00 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 1x2q n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2q s SER 8 N -2.46 4.72 0.24 1.61 0.01 -1.26 -4.93 113.70 111.64 1x2q s SER 8 Ca 0.00 -1.52 -0.30 0.00 1.31 0.00 0.00 55.95 55.44 1x2q s SER 8 Cb 0.00 -1.64 -0.14 0.00 0.21 0.00 0.00 66.02 64.44 1x2q s SER 8 CO 0.00 -0.27 1.15 1.21 0.41 0.00 0.00 173.24 175.74 1x2q n GLU 9 N 4.48 1.45 -2.50 12.44 4.07 -1.26 -3.54 120.64 135.78 1x2q n GLU 9 Ca -0.10 0.51 -0.04 0.00 -0.06 0.00 0.00 57.16 57.47 1x2q n GLU 9 Cb 0.42 -1.99 0.01 0.00 -0.06 0.00 0.00 31.44 29.82 1x2q n GLU 9 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1x2q n ILE 10 N 0.97 -8.27 -2.61 6.31 5.41 -1.26 -4.86 119.36 115.05 1x2q n ILE 10 Ca 0.12 0.44 -0.43 0.00 1.00 0.00 0.00 62.75 63.88 1x2q n ILE 10 Cb 0.29 -6.26 -0.00 0.00 -0.71 0.00 0.00 39.64 32.96 1x2q n ILE 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1x2q s GLN 11 N -2.36 3.95 -0.48 0.38 0.74 -1.23 -4.66 119.66 116.01 1x2q s GLN 11 Ca 0.13 -1.96 0.06 0.00 0.05 0.00 0.00 55.36 53.65 1x2q s GLN 11 Cb -0.04 -5.47 0.23 0.00 1.10 0.00 0.00 33.01 28.83 1x2q s GLN 11 CO 0.54 -2.21 0.79 -0.11 -0.55 0.00 0.00 175.29 173.76 1x2q n LEU 12 N 8.19 -2.42 -3.31 3.68 0.00 -1.26 -5.09 117.00 116.79 1x2q n LEU 12 Ca 0.46 -3.51 -0.02 0.00 0.00 0.00 0.00 56.01 52.94 1x2q n LEU 12 Cb 0.46 0.79 -0.04 0.00 0.00 0.00 0.00 43.42 44.63 1x2q n LEU 12 CO 0.74 2.00 0.09 0.20 0.00 0.00 0.00 177.39 180.42 1x2q s ASN 13 N -1.17 -0.76 -0.52 1.96 -0.87 -1.26 -5.11 114.94 107.21 1x2q s ASN 13 Ca 0.32 0.76 -0.15 0.00 -1.57 0.00 0.00 52.86 52.23 1x2q s ASN 13 Cb 0.18 1.79 0.12 0.00 -0.02 0.00 0.00 41.25 43.32 1x2q s ASN 13 CO -0.20 -0.27 0.45 0.20 -2.57 0.00 0.00 177.10 174.72 1x2q s ASN 14 N 2.75 6.09 -0.17 -1.22 -0.87 -1.26 -4.99 114.94 115.26 1x2q s ASN 14 Ca 0.13 -1.74 -0.30 0.00 -1.57 0.00 0.00 52.86 49.38 1x2q s ASN 14 Cb -0.15 -2.17 0.14 0.00 -0.02 0.00 0.00 41.25 39.05 1x2q s ASN 14 CO -0.18 -0.79 1.08 -0.75 -2.57 0.00 0.00 177.10 173.88 1x2q s LYS 15 N 1.56 0.48 -0.22 -0.60 2.20 -1.26 -5.15 119.74 116.76 1x2q s LYS 15 Ca 0.04 0.03 -0.12 0.00 -0.36 0.00 0.00 55.97 55.55 1x2q s LYS 15 Cb -0.28 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.21 1x2q s LYS 15 CO 0.03 -0.17 0.24 0.14 -0.36 0.00 0.00 175.35 175.23 1x2q s VAL 16 N -1.54 5.31 0.06 4.02 -7.23 -1.26 -5.07 120.40 114.69 1x2q s VAL 16 Ca 0.03 0.38 -0.05 0.00 -1.81 0.00 0.00 61.98 60.52 1x2q s VAL 16 Cb -0.01 -3.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 1x2q s VAL 16 CO -0.02 0.32 0.09 0.00 -0.31 0.00 0.00 175.10 175.18 1x2q s ALA 17 N 1.06 0.07 -0.71 1.32 0.00 -1.26 -5.10 121.76 117.14 1x2q s ALA 17 Ca 0.12 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 51.02 1x2q s ALA 17 Cb -0.14 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.37 1x2q s ALA 17 CO 0.05 -0.41 1.18 0.50 0.00 0.00 0.00 175.76 177.08 1x2q s ARG 18 N -3.52 3.17 0.33 0.00 3.52 -1.24 -4.97 118.95 116.24 1x2q s ARG 18 Ca 0.03 -0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 55.10 1x2q s ARG 18 Cb 0.04 -4.19 -0.07 0.00 -1.56 0.00 0.00 34.95 29.17 1x2q s ARG 18 CO -0.09 -2.03 0.69 0.15 -0.81 0.00 0.00 175.30 173.21 1x2q s LYS 19 N 5.19 3.84 -0.03 5.12 1.02 -1.26 0.12 119.74 133.73 1x2q s LYS 19 Ca 0.31 0.44 -0.10 0.00 0.02 0.00 0.00 55.97 56.64 1x2q s LYS 19 Cb -0.11 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.73 1x2q s LYS 19 CO 0.14 0.12 0.23 0.14 -0.92 0.00 0.00 175.35 175.06 1x2q s VAL 20 N -2.11 0.05 -0.24 3.17 -7.23 0.16 -4.57 120.40 109.63 1x2q s VAL 20 Ca 0.51 -0.41 -0.09 0.00 -1.81 0.00 0.00 61.98 60.18 1x2q s VAL 20 Cb -0.10 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 1x2q s VAL 20 CO 0.25 -0.22 0.12 -0.60 -0.31 0.00 0.00 175.10 174.33 1x2q s ARG 21 N -0.90 3.87 0.18 4.82 3.52 -0.95 0.11 118.95 129.59 1x2q s ARG 21 Ca -0.10 -0.37 -0.32 0.00 -0.13 0.00 0.00 55.73 54.81 1x2q s ARG 21 Cb -0.05 -3.43 -0.11 0.00 -1.56 0.00 0.00 34.95 29.80 1x2q s ARG 21 CO 0.02 -0.05 1.71 0.00 -0.81 0.00 0.00 175.30 176.18 1x2q s ALA 22 N 1.30 3.86 -0.06 6.12 0.00 0.31 -0.89 121.76 132.40 1x2q s ALA 22 Ca 0.06 1.50 -0.07 0.00 0.00 0.00 0.00 51.96 53.46 1x2q s ALA 22 Cb -0.15 -3.70 -0.28 0.00 0.00 0.00 0.00 23.12 18.99 1x2q s ALA 22 CO 0.05 -0.97 0.59 -0.07 0.00 0.00 0.00 175.76 175.37 1x2q h LEU 23 N 7.26 0.48 -9.10 0.00 3.38 0.01 1.45 115.31 118.79 1x2q h LEU 23 Ca -0.44 -0.83 -0.48 0.00 0.09 0.00 0.00 57.88 56.23 1x2q h LEU 23 Cb 1.20 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 1x2q h LEU 23 CO 0.95 1.72 -0.68 -0.31 0.09 0.00 0.00 178.44 180.21 1x2q s TYR 24 N -2.58 1.90 -0.26 1.13 2.02 -1.21 -4.51 117.35 113.84 1x2q s TYR 24 Ca -0.16 -0.71 -0.25 0.00 -0.37 0.00 0.00 57.07 55.57 1x2q s TYR 24 Cb 0.06 -1.08 -0.00 0.00 -0.40 0.00 0.00 41.96 40.54 1x2q s TYR 24 CO 0.82 0.25 0.84 -0.51 -1.57 0.00 0.00 175.55 175.39 1x2q s ASP 25 N -3.42 6.81 0.47 2.29 1.01 -1.26 -3.03 116.67 119.53 1x2q s ASP 25 Ca 0.29 0.96 0.07 0.00 0.71 0.00 0.00 52.55 54.59 1x2q s ASP 25 Cb 0.04 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.53 1x2q s ASP 25 CO 0.11 -0.57 0.42 0.12 0.21 0.00 0.00 175.17 175.47 1x2q s PHE 26 N 2.93 2.27 -0.30 4.23 5.36 0.42 -4.83 117.98 128.06 1x2q s PHE 26 Ca 0.35 -0.62 -0.02 0.00 -0.96 0.00 0.00 56.93 55.69 1x2q s PHE 26 Cb -0.15 -2.10 0.19 0.00 -0.34 0.00 0.00 43.02 40.62 1x2q s PHE 26 CO 0.09 -0.32 0.68 -2.00 -1.46 0.00 0.00 175.22 172.21 1x2q s GLU 27 N -4.22 0.50 0.03 10.12 2.12 -1.26 -3.75 118.70 122.24 1x2q s GLU 27 Ca 0.45 0.79 -0.39 0.00 0.36 0.00 0.00 54.97 56.19 1x2q s GLU 27 Cb -0.03 0.43 -0.19 0.00 0.26 0.00 0.00 34.13 34.59 1x2q s GLU 27 CO 0.27 -0.64 1.07 0.00 -0.54 0.00 0.00 175.26 175.43 1x2q n ALA 28 N 5.42 -3.18 -0.09 6.30 0.00 -1.16 -4.86 120.51 122.94 1x2q n ALA 28 Ca -0.00 0.58 -0.11 0.00 0.00 0.00 0.00 53.44 53.90 1x2q n ALA 28 Cb 0.52 -1.80 -0.10 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 1.54 1.11 -1.82 0.00 3.14 -1.26 -5.01 118.33 116.03 1x2q n VAL 29 Ca 0.20 -0.53 -0.07 0.00 -2.96 0.00 0.00 64.34 60.97 1x2q n VAL 29 Cb 0.11 -0.96 0.05 0.00 -1.06 0.00 0.00 33.84 31.98 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 -2.88 0.03 -1.32 1.45 1.02 -1.26 -4.98 120.64 112.71 1x2q n GLU 30 Ca -0.31 -0.68 -0.31 0.00 -0.02 0.00 0.00 57.16 55.84 1x2q n GLU 30 Cb 0.93 -0.29 0.11 0.00 -0.02 0.00 0.00 31.44 32.17 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 -3.11 6.34 -2.66 1.62 8.00 -1.26 -4.33 116.55 121.16 1x2q n ASP 31 Ca 0.05 -3.74 -0.03 0.00 0.71 0.00 0.00 54.79 51.78 1x2q n ASP 31 Cb 0.17 -0.90 0.04 0.00 -0.02 0.00 0.00 41.12 40.40 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 -0.98 -1.12 -4.28 -2.24 5.15 -1.26 -5.17 115.26 105.36 1x2q n ASN 32 Ca 0.60 -1.67 -0.26 0.00 -0.60 0.00 0.00 54.58 52.66 1x2q n ASN 32 Cb 0.97 1.05 -0.09 0.00 -0.53 0.00 0.00 39.78 41.18 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 0.03 1.91 -0.16 1.20 2.02 -1.26 -3.81 118.70 118.62 1x2q s GLU 33 Ca 0.11 -2.15 -0.10 0.00 0.02 0.00 0.00 54.97 52.84 1x2q s GLU 33 Cb 0.16 -0.80 -0.05 0.00 0.10 0.00 0.00 34.13 33.55 1x2q s GLU 33 CO -0.10 -0.40 0.19 -1.17 0.02 0.00 0.00 175.26 173.79 1x2q s LEU 34 N -3.62 4.28 -0.31 1.80 0.20 0.53 -4.04 118.68 117.53 1x2q s LEU 34 Ca 0.24 0.40 -0.04 0.00 0.69 0.00 0.00 54.13 55.42 1x2q s LEU 34 Cb 0.04 -2.18 0.04 0.00 -0.43 0.00 0.00 46.19 43.66 1x2q s LEU 34 CO 0.13 0.24 0.04 -0.89 -0.29 0.00 0.00 176.35 175.58 1x2q s THR 35 N -0.10 3.41 0.25 3.68 2.01 -1.26 -2.98 115.64 120.64 1x2q s THR 35 Ca 0.13 -1.13 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 1x2q s THR 35 Cb -0.12 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 1x2q s THR 35 CO 0.02 -0.06 0.45 0.72 -0.69 0.00 0.00 174.62 175.07 1x2q s PHE 36 N 1.36 0.44 0.34 4.92 -0.12 -1.25 -4.80 117.98 118.86 1x2q s PHE 36 Ca -0.02 -0.79 0.02 0.00 -0.05 0.00 0.00 56.93 56.09 1x2q s PHE 36 Cb -0.19 0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.35 1x2q s PHE 36 CO 0.00 -0.97 0.15 1.63 -0.05 0.00 0.00 175.22 175.98 1x2q n LYS 37 N -0.38 1.08 -2.72 1.99 4.76 -1.26 -0.44 118.16 121.19 1x2q n LYS 37 Ca -0.01 -2.26 -0.39 0.00 -2.87 0.00 0.00 58.31 52.77 1x2q n LYS 37 Cb 0.62 0.41 -0.06 0.00 -1.84 0.00 0.00 35.03 34.16 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 -1.92 3.83 0.00 2.13 -3.43 -1.17 -3.40 115.29 111.33 1x2q s HIS 38 Ca 0.11 1.85 0.00 0.00 -0.80 0.00 0.00 55.06 56.22 1x2q s HIS 38 Cb -0.01 -3.00 0.00 0.00 -1.43 0.00 0.00 32.58 28.14 1x2q s HIS 38 CO 0.07 0.24 0.00 0.41 -2.00 0.00 0.00 174.74 173.47 1x2q n GLY 39 N 1.13 2.57 3.59 -1.38 0.00 0.50 -4.89 105.19 106.71 1x2q n GLY 39 Ca -0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 0.69 -3.56 1.61 4.71 -1.22 -4.20 120.64 118.66 1x2q n GLU 40 Ca 0.00 0.28 -0.33 0.00 -0.01 0.00 0.00 57.16 57.10 1x2q n GLU 40 Cb 0.00 -2.12 -0.05 0.00 -1.01 0.00 0.00 31.44 28.26 1x2q n GLU 40 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1x2q s ILE 41 N -1.65 5.07 -0.04 -3.67 -1.09 -1.26 0.11 121.20 118.67 1x2q s ILE 41 Ca 0.74 0.33 -0.01 0.00 -2.23 0.00 0.00 60.65 59.48 1x2q s ILE 41 Cb -0.39 -3.64 0.03 0.00 -1.58 0.00 0.00 42.46 36.89 1x2q s ILE 41 CO 0.49 0.12 0.07 -0.63 -1.23 0.00 0.00 174.94 173.76 1x2q s ILE 42 N -1.58 -0.10 -0.47 2.92 1.09 0.31 -4.57 121.20 118.80 1x2q s ILE 42 Ca 0.39 0.30 -0.22 0.00 -1.10 0.00 0.00 60.65 60.03 1x2q s ILE 42 Cb -0.13 -0.15 0.03 0.00 -1.06 0.00 0.00 42.46 41.16 1x2q s ILE 42 CO 0.21 0.13 0.72 -0.63 -0.10 0.00 0.00 174.94 175.27 1x2q s ILE 43 N 1.60 4.72 -0.07 2.92 1.09 0.51 0.37 121.20 132.35 1x2q s ILE 43 Ca -0.03 0.14 -0.30 0.00 -1.10 0.00 0.00 60.65 59.36 1x2q s ILE 43 Cb -0.12 -4.30 -0.03 0.00 -1.06 0.00 0.00 42.46 36.95 1x2q s ILE 43 CO -0.04 -0.73 1.17 -0.69 -0.10 0.00 0.00 174.94 174.55 1x2q s VAL 44 N 3.08 4.34 -0.17 2.92 1.01 0.32 0.17 120.40 132.07 1x2q s VAL 44 Ca 0.25 1.65 0.12 0.00 0.00 0.00 0.00 61.98 64.00 1x2q s VAL 44 Cb -0.14 -4.06 -0.23 0.00 0.00 0.00 0.00 36.38 31.94 1x2q s VAL 44 CO 0.19 -0.00 0.16 0.18 0.00 0.00 0.00 175.10 175.62 1x2q n LEU 45 N 5.21 0.93 -3.76 3.92 4.77 0.22 -3.72 117.00 124.57 1x2q n LEU 45 Ca 0.11 0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1x2q n LEU 45 Cb 0.47 0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1x2q n LEU 45 CO 0.55 0.59 -0.18 -1.81 -1.33 0.00 0.00 177.39 175.20 1x2q s ASP 46 N -5.92 -0.18 -0.25 -1.43 1.11 -0.52 -5.04 116.67 104.45 1x2q s ASP 46 Ca -0.14 0.38 0.18 0.00 0.18 0.00 0.00 52.55 53.14 1x2q s ASP 46 Cb 0.07 0.31 0.48 0.00 1.07 0.00 0.00 42.92 44.85 1x2q s ASP 46 CO 0.78 -0.12 1.15 -0.90 1.18 0.00 0.00 175.17 177.25 1x2q n ASP 47 N 3.79 2.61 -0.06 0.27 5.68 -1.26 -1.97 116.55 125.61 1x2q n ASP 47 Ca -0.21 -2.67 -0.11 0.00 -0.50 0.00 0.00 54.79 51.30 1x2q n ASP 47 Cb 0.54 -0.42 -0.04 0.00 -1.14 0.00 0.00 41.12 40.06 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 2.26 0.29 -2.16 -1.12 0.02 -1.96 -3.43 113.55 107.44 1x2q h SER 48 Ca 0.02 -0.18 -0.45 0.00 -0.84 0.00 0.00 61.79 60.34 1x2q h SER 48 Cb 1.40 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 1x2q h SER 48 CO 0.35 0.39 -0.35 -1.81 -1.14 0.00 0.00 176.83 174.27 1x2q s ASP 49 N -5.64 6.17 -0.12 3.07 1.11 -1.26 -5.02 116.67 114.98 1x2q s ASP 49 Ca -0.14 0.04 0.15 0.00 0.18 0.00 0.00 52.55 52.79 1x2q s ASP 49 Cb 0.07 -1.65 -0.22 0.00 1.07 0.00 0.00 42.92 42.19 1x2q s ASP 49 CO 0.71 -0.25 0.15 0.00 1.18 0.00 0.00 175.17 176.96 1x2q n ALA 50 N -1.57 1.89 -0.00 5.23 0.00 -1.26 -4.48 120.51 120.32 1x2q n ALA 50 Ca -0.05 -0.90 -0.12 0.00 0.00 0.00 0.00 53.44 52.36 1x2q n ALA 50 Cb 0.57 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 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 0.05 -4.31 0.00 2.35 -1.95 -3.32 115.58 108.40 1x2q h ASN 51 Ca -0.32 -0.27 -0.61 0.00 -0.55 0.00 0.00 56.30 54.55 1x2q h ASN 51 Cb 1.68 -0.01 -0.26 0.00 0.05 0.00 0.00 38.32 39.78 1x2q h ASN 51 CO 0.02 0.31 -0.85 0.26 -1.65 0.00 0.00 177.43 175.51 1x2q s TRP 52 N -5.12 1.91 -0.04 1.19 0.52 -1.26 -4.17 118.94 111.98 1x2q s TRP 52 Ca -0.15 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.62 1x2q s TRP 52 Cb 0.04 -1.15 0.01 0.00 -1.15 0.00 0.00 33.47 31.21 1x2q s TRP 52 CO 0.68 0.08 -0.10 -1.58 0.02 0.00 0.00 176.95 176.04 1x2q s TRP 53 N -0.76 1.18 -0.44 -1.98 0.52 0.48 -4.24 118.94 113.69 1x2q s TRP 53 Ca 0.08 -0.36 -0.18 0.00 0.02 0.00 0.00 56.10 55.67 1x2q s TRP 53 Cb -0.09 -0.86 0.03 0.00 -1.15 0.00 0.00 33.47 31.40 1x2q s TRP 53 CO 0.01 -0.17 0.51 0.21 0.02 0.00 0.00 176.95 177.53 1x2q s LYS 54 N 0.41 3.12 0.38 4.98 2.20 -0.83 -1.82 119.74 128.18 1x2q s LYS 54 Ca -0.08 -0.76 0.05 0.00 -0.36 0.00 0.00 55.97 54.83 1x2q s LYS 54 Cb -0.12 -4.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.17 1x2q s LYS 54 CO 0.02 -0.96 0.19 0.20 -0.36 0.00 0.00 175.35 174.44 1x2q s GLY 55 N 2.06 2.52 0.04 5.54 0.00 -1.21 0.72 107.32 116.99 1x2q s GLY 55 Ca 0.14 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.34 1x2q s GLY 55 CO 0.14 -1.68 -0.08 1.85 0.00 0.00 0.00 173.10 173.33 1x2q s GLU 56 N -3.60 0.54 0.23 2.90 2.12 0.46 -2.82 118.70 118.53 1x2q s GLU 56 Ca 0.30 -0.79 -0.10 0.00 0.36 0.00 0.00 54.97 54.75 1x2q s GLU 56 Cb 0.02 -0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.11 1x2q s GLU 56 CO 0.20 0.05 0.37 0.54 -0.54 0.00 0.00 175.26 175.88 1x2q s ASN 57 N -1.65 -0.02 0.21 -1.70 2.20 0.11 0.19 114.94 114.28 1x2q s ASN 57 Ca -0.09 -1.03 -0.15 0.00 -0.94 0.00 0.00 52.86 50.65 1x2q s ASN 57 Cb -0.09 0.52 0.24 0.00 -2.00 0.00 0.00 41.25 39.91 1x2q s ASN 57 CO 0.00 -1.04 1.42 0.00 -2.94 0.00 0.00 177.10 174.55 1x2q n HIS 58 N -0.34 0.05 -0.05 1.54 1.44 -1.26 0.87 115.22 117.48 1x2q n HIS 58 Ca -0.01 1.13 -0.08 0.00 -2.01 0.00 0.00 57.72 56.74 1x2q n HIS 58 Cb 0.63 -0.86 -0.02 0.00 0.12 0.00 0.00 29.99 29.86 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 -0.26 0.00 -1.40 3.08 -1.96 -3.48 114.38 110.36 1x2q h ARG 59 Ca 0.33 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1x2q h ARG 59 Cb 0.56 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1x2q h ARG 59 CO -0.91 -0.17 0.00 0.41 -1.07 0.00 0.00 179.97 178.23 1x2q n GLY 60 N -1.39 -0.50 3.95 0.04 0.00 0.25 -5.12 105.19 102.42 1x2q n GLY 60 Ca -0.01 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.31 3.98 0.00 -0.61 1.09 -1.26 0.04 121.20 121.13 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 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 38.03 1x2q s ILE 61 CO 0.00 -0.17 0.00 0.61 -0.10 0.00 0.00 174.94 175.28 1x2q n GLY 62 N -1.56 1.95 3.87 6.18 0.00 -1.13 -4.66 105.19 109.84 1x2q n GLY 62 Ca -0.01 -0.95 -0.32 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 4.09 0.01 0.99 2.01 -1.25 -3.30 118.68 121.24 1x2q s LEU 63 Ca 0.00 1.06 -0.29 0.00 0.01 0.00 0.00 54.13 54.92 1x2q s LEU 63 Cb 0.00 -3.85 0.10 0.00 0.01 0.00 0.00 46.19 42.44 1x2q s LEU 63 CO 0.00 -0.16 0.97 0.72 1.01 0.00 0.00 176.35 178.89 1x2q s PHE 64 N -1.94 -0.25 0.21 0.29 -0.71 -0.76 0.20 117.98 115.03 1x2q s PHE 64 Ca 0.50 0.08 -0.30 0.00 -1.04 0.00 0.00 56.93 56.17 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 0.21 -0.56 1.11 -1.25 -1.34 0.00 0.00 175.22 173.39 1x2q s PRO 65 N -3.03 4.60 0.00 1.99 0.04 -1.26 0.18 135.00 137.52 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 -3.25 1.20 0.00 0.04 0.00 0.00 34.50 32.49 1x2q s PRO 65 CO -0.05 0.11 1.80 0.43 0.04 0.00 0.00 177.00 179.33 1x2q n SER 66 N 2.00 0.00 -1.13 6.66 7.64 -1.25 -2.50 113.62 125.04 1x2q n SER 66 Ca 0.02 -0.01 0.04 0.00 1.01 0.00 0.00 58.87 59.93 1x2q n SER 66 Cb 0.46 -0.31 0.21 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.31 3.21 0.00 6.43 5.15 -1.26 -3.38 115.26 124.09 1x2q n ASN 67 Ca 0.11 -2.38 0.00 0.00 -0.60 0.00 0.00 54.58 51.71 1x2q n ASN 67 Cb 0.20 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 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 0.41 0.00 -4.54 1.20 3.01 -1.04 -4.96 117.46 111.55 1x2q n PHE 68 Ca 0.14 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.35 1x2q n PHE 68 Cb 0.66 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.04 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 -0.18 0.96 -0.03 -4.37 -7.23 -1.22 0.73 120.40 109.07 1x2q s VAL 69 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1x2q s VAL 69 Cb 0.00 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.45 1x2q s VAL 69 CO 0.00 0.00 -0.04 0.28 -0.31 0.00 0.00 175.10 175.03 1x2q s THR 70 N -3.16 0.43 -0.85 5.32 -1.32 -0.07 -4.75 115.64 111.24 1x2q s THR 70 Ca 0.26 -0.11 -0.06 0.00 -1.21 0.00 0.00 61.69 60.57 1x2q s THR 70 Cb 0.05 -0.45 -0.09 0.00 -1.51 0.00 0.00 72.50 70.50 1x2q s THR 70 CO 0.13 0.18 2.40 0.35 -2.21 0.00 0.00 174.62 175.47 1x2q n THR 71 N 3.76 2.72 -2.92 5.08 -2.24 -1.26 -2.25 114.28 117.17 1x2q n THR 71 Ca -0.23 -1.58 0.04 0.00 -2.27 0.00 0.00 64.05 60.01 1x2q n THR 71 Cb 0.53 -2.16 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 1x2q n THR 71 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1x2q s ASN 72 N 2.91 -0.23 0.12 3.42 3.84 -1.26 -5.05 114.94 118.69 1x2q s ASN 72 Ca 0.47 -0.05 -0.27 0.00 0.21 0.00 0.00 52.86 53.22 1x2q s ASN 72 Cb 0.14 0.67 -0.06 0.00 -0.55 0.00 0.00 41.25 41.45 1x2q s ASN 72 CO -0.03 -0.03 1.62 -0.07 -2.79 0.00 0.00 177.10 175.80 1x2q h LEU 73 N 6.11 -0.89 -7.00 3.21 3.38 -1.84 -3.42 115.31 114.85 1x2q h LEU 73 Ca -0.07 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1x2q h LEU 73 Cb 1.21 0.35 -0.19 0.00 0.09 0.00 0.00 40.66 42.13 1x2q h LEU 73 CO -0.11 -0.37 0.46 0.21 0.09 0.00 0.00 178.44 178.72 1x2q s ASN 74 N -4.84 -0.42 -0.53 -0.43 2.47 -1.26 -4.85 114.94 105.09 1x2q s ASN 74 Ca -0.16 0.28 -0.28 0.00 0.42 0.00 0.00 52.86 53.12 1x2q s ASN 74 Cb 0.09 0.38 0.02 0.00 -1.45 0.00 0.00 41.25 40.29 1x2q s ASN 74 CO 0.65 -0.52 1.36 0.27 -3.72 0.00 0.00 177.10 175.14 1x2q s ILE 75 N -2.02 3.88 -0.14 -5.21 -4.36 -1.26 -4.86 121.20 107.24 1x2q s ILE 75 Ca -0.00 0.81 -0.09 0.00 -0.26 0.00 0.00 60.65 61.10 1x2q s ILE 75 Cb -0.01 -4.44 -0.04 0.00 1.25 0.00 0.00 42.46 39.22 1x2q s ILE 75 CO -0.02 -1.09 -0.13 -0.33 0.24 0.00 0.00 174.94 173.61 1x2q h GLU 76 N 10.61 0.00 -4.27 0.37 5.08 -2.02 -3.51 114.58 120.85 1x2q h GLU 76 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1x2q h GLU 76 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1x2q h GLU 76 CO 1.16 0.07 -0.87 2.41 -1.00 0.00 0.00 179.01 180.78 1x2q n THR 77 N -4.62-12.26 -2.31 1.13 -1.04 -1.26 -4.90 114.28 89.02 1x2q n THR 77 Ca -0.08 2.90 -0.41 0.00 -2.04 0.00 0.00 64.05 64.42 1x2q n THR 77 Cb 0.26 -5.59 -0.03 0.00 -1.82 0.00 0.00 70.33 63.15 1x2q n THR 77 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x2q s GLU 78 N -0.82 4.48 0.21 -2.82 2.02 -1.26 -4.73 118.70 115.78 1x2q s GLU 78 Ca 0.00 1.98 0.00 0.00 0.02 0.00 0.00 54.97 56.97 1x2q s GLU 78 Cb 0.00 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1x2q s GLU 78 CO 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 175.26 175.21 1x2q n ALA 79 N 1.79 0.00 -1.43 5.21 0.00 -1.26 -5.17 120.51 119.65 1x2q n ALA 79 Ca 0.02 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.65 1x2q n ALA 79 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.83 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 -3.07 -3.71 -3.32 0.00 0.00 -1.26 -4.41 120.51 104.74 1x2q n ALA 80 Ca 0.00 0.60 -0.45 0.00 0.00 0.00 0.00 53.44 53.59 1x2q n ALA 80 Cb 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.86 4.57 -0.15 0.00 0.00 -1.26 -4.79 121.76 117.27 1x2q s ALA 81 Ca 0.00 -3.72 -0.08 0.00 0.00 0.00 0.00 51.96 48.16 1x2q s ALA 81 Cb 0.00 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.57 1x2q s ALA 81 CO 0.00 -2.24 0.17 0.28 0.00 0.00 0.00 175.76 173.96 1x2q n VAL 82 N 3.05 -9.92 -2.97 0.00 0.31 -1.26 -4.56 118.33 102.97 1x2q n VAL 82 Ca 0.22 2.04 -0.01 0.00 -0.01 0.00 0.00 64.34 66.58 1x2q n VAL 82 Cb 0.41 -5.60 0.00 0.00 -0.91 0.00 0.00 33.84 27.74 1x2q n VAL 82 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1x2q n SER 83 N 1.80 -7.27 -3.38 4.52 7.64 -1.26 -5.00 113.62 110.67 1x2q n SER 83 Ca -0.28 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1x2q n SER 83 Cb 0.46 -3.45 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 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 0.93 -0.96 3.53 0.23 0.00 -1.26 -4.77 105.19 102.88 1x2q n GLY 84 Ca 0.00 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 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 2.40 -3.59 1.61 -0.04 -1.26 -4.80 135.00 129.32 1x2q n PRO 85 Ca 0.00 -2.83 -0.05 0.00 -0.04 0.00 0.00 63.50 60.58 1x2q n PRO 85 Cb 0.00 -3.57 -0.02 0.00 -0.04 0.00 0.00 33.50 29.86 1x2q n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x2q s SER 86 N 5.23 -0.17 -0.30 3.54 1.04 -1.26 -5.16 113.70 116.62 1x2q s SER 86 Ca 0.60 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.93 1x2q s SER 86 Cb 0.03 0.17 0.17 0.00 0.10 0.00 0.00 66.02 66.49 1x2q s SER 86 CO 0.10 -0.27 1.00 -0.94 0.98 0.00 0.00 173.24 174.11 1x2q s SER 87 N -2.05 -0.56 0.00 7.02 1.04 -1.26 -5.03 113.70 112.85 1x2q s SER 87 Ca 0.08 0.52 0.14 0.00 0.48 0.00 0.00 55.95 57.16 1x2q s SER 87 Cb -0.01 1.54 0.11 0.00 0.10 0.00 0.00 66.02 67.76 1x2q s SER 87 CO -0.05 -0.11 0.94 0.61 0.98 0.00 0.00 173.24 175.61