#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2q n SER 2 N 0.00 -3.02 -3.72 1.61 3.41 -1.26 -5.17 113.62 105.47 1x2q n SER 2 Ca 0.00 0.73 -0.02 0.00 -0.26 0.00 0.00 58.87 59.32 1x2q n SER 2 Cb 0.00 2.89 -0.01 0.00 -0.26 0.00 0.00 64.21 66.83 1x2q n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x2q s SER 3 N -2.66 -0.15 0.00 4.04 0.01 -1.26 -5.19 113.70 108.49 1x2q s SER 3 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1x2q s SER 3 Cb 0.00 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1x2q s SER 3 CO 0.00 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1x2q n GLY 4 N -0.48 4.69 3.40 3.44 0.00 -1.26 -5.19 105.19 109.79 1x2q n GLY 4 Ca -0.07 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 0.95 -0.14 0.38 1.61 0.01 -1.26 -5.18 113.70 110.07 1x2q s SER 5 Ca 0.00 -0.57 0.08 0.00 1.31 0.00 0.00 55.95 56.77 1x2q s SER 5 Cb 0.00 0.50 -0.05 0.00 0.21 0.00 0.00 66.02 66.68 1x2q s SER 5 CO 0.00 -0.94 0.12 -0.94 0.41 0.00 0.00 173.24 171.88 1x2q s SER 6 N -2.89 4.38 0.00 2.44 1.04 -1.26 -5.15 113.70 112.27 1x2q s SER 6 Ca 0.10 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1x2q s SER 6 Cb 0.01 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.59 1x2q s SER 6 CO -0.04 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1x2q n GLY 7 N -1.13 5.79 3.29 7.32 0.00 -1.26 -5.18 105.19 114.03 1x2q n GLY 7 Ca -0.02 -1.54 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 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 1.00 1.07 -0.59 1.61 0.01 -1.26 -5.11 113.70 110.43 1x2q s SER 8 Ca 0.00 -1.36 -0.00 0.00 1.31 0.00 0.00 55.95 55.90 1x2q s SER 8 Cb 0.00 0.18 0.15 0.00 0.21 0.00 0.00 66.02 66.56 1x2q s SER 8 CO 0.00 -0.73 0.38 -0.70 0.41 0.00 0.00 173.24 172.61 1x2q s GLU 9 N -4.04 2.37 0.52 12.44 2.12 -1.26 -5.08 118.70 125.77 1x2q s GLU 9 Ca 0.36 -2.59 -0.21 0.00 0.36 0.00 0.00 54.97 52.89 1x2q s GLU 9 Cb 0.08 -3.58 -0.06 0.00 0.26 0.00 0.00 34.13 30.82 1x2q s GLU 9 CO 0.12 -1.15 1.22 -1.50 -0.54 0.00 0.00 175.26 173.41 1x2q s ILE 10 N -0.19 2.75 0.35 -3.70 2.07 -1.26 -4.98 121.20 116.24 1x2q s ILE 10 Ca 0.17 0.53 -0.25 0.00 -1.41 0.00 0.00 60.65 59.69 1x2q s ILE 10 Cb -0.22 -3.26 -0.10 0.00 0.13 0.00 0.00 42.46 39.02 1x2q s ILE 10 CO -0.02 -0.04 0.98 -1.10 -1.91 0.00 0.00 174.94 172.85 1x2q s GLN 11 N -2.94 4.44 -0.45 3.50 -1.52 -1.26 -5.02 119.66 116.41 1x2q s GLN 11 Ca 0.69 1.38 -0.13 0.00 -1.95 0.00 0.00 55.36 55.36 1x2q s GLN 11 Cb -0.31 -2.69 0.08 0.00 -0.22 0.00 0.00 33.01 29.87 1x2q s GLN 11 CO 0.37 0.13 0.34 -1.17 -0.25 0.00 0.00 175.29 174.71 1x2q s LEU 12 N -2.29 5.47 -0.07 2.90 0.20 -1.26 -5.02 118.68 118.60 1x2q s LEU 12 Ca 0.53 -1.46 -0.29 0.00 0.69 0.00 0.00 54.13 53.60 1x2q s LEU 12 Cb -0.19 -2.09 0.07 0.00 -0.43 0.00 0.00 46.19 43.54 1x2q s LEU 12 CO 0.25 -0.62 0.66 0.20 -0.29 0.00 0.00 176.35 176.55 1x2q s ASN 13 N 2.47 -0.64 -0.11 3.68 -0.87 -1.26 -5.15 114.94 113.06 1x2q s ASN 13 Ca 0.04 0.75 0.00 0.00 -1.57 0.00 0.00 52.86 52.08 1x2q s ASN 13 Cb -0.24 0.62 0.02 0.00 -0.02 0.00 0.00 41.25 41.63 1x2q s ASN 13 CO 0.04 -0.56 -0.11 0.20 -2.57 0.00 0.00 177.10 174.10 1x2q s ASN 14 N -1.04 2.23 0.18 -1.22 0.01 -1.26 -5.12 114.94 108.73 1x2q s ASN 14 Ca -0.10 -0.35 -0.10 0.00 -0.71 0.00 0.00 52.86 51.60 1x2q s ASN 14 Cb -0.01 -0.93 -0.00 0.00 0.41 0.00 0.00 41.25 40.71 1x2q s ASN 14 CO 0.09 -0.06 0.34 -0.54 -1.51 0.00 0.00 177.10 175.41 1x2q s LYS 15 N 1.39 1.24 -0.21 -0.60 1.02 -1.26 -5.15 119.74 116.18 1x2q s LYS 15 Ca 0.00 -1.16 -0.08 0.00 0.02 0.00 0.00 55.97 54.75 1x2q s LYS 15 Cb -0.13 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.54 1x2q s LYS 15 CO -0.06 -0.47 0.09 0.14 -0.92 0.00 0.00 175.35 174.13 1x2q s VAL 16 N -3.97 4.83 0.08 3.17 -7.23 -1.26 -5.07 120.40 110.95 1x2q s VAL 16 Ca 0.18 -0.01 -0.23 0.00 -1.81 0.00 0.00 61.98 60.11 1x2q s VAL 16 Cb 0.02 -3.21 0.06 0.00 0.56 0.00 0.00 36.38 33.81 1x2q s VAL 16 CO 0.01 0.40 0.55 0.00 -0.31 0.00 0.00 175.10 175.76 1x2q s ALA 17 N 0.81 -1.42 -0.81 1.32 0.00 -1.26 -5.10 121.76 115.30 1x2q s ALA 17 Ca 0.05 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 1x2q s ALA 17 Cb -0.13 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.55 1x2q s ALA 17 CO 0.02 -0.59 1.48 0.50 0.00 0.00 0.00 175.76 177.17 1x2q s ARG 18 N -2.90 3.15 0.34 0.00 3.52 -1.26 -4.96 118.95 116.85 1x2q s ARG 18 Ca -0.03 -0.36 -0.10 0.00 -0.13 0.00 0.00 55.73 55.11 1x2q s ARG 18 Cb -0.00 -4.63 -0.07 0.00 -1.56 0.00 0.00 34.95 28.69 1x2q s ARG 18 CO -0.05 -2.38 0.69 0.15 -0.81 0.00 0.00 175.30 172.90 1x2q s LYS 19 N 5.85 3.79 0.02 5.12 1.02 -1.26 0.55 119.74 134.84 1x2q s LYS 19 Ca 0.47 0.39 -0.11 0.00 0.02 0.00 0.00 55.97 56.74 1x2q s LYS 19 Cb -0.06 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1x2q s LYS 19 CO 0.07 0.10 0.22 0.14 -0.92 0.00 0.00 175.35 174.96 1x2q s VAL 20 N -2.17 0.09 -0.23 3.17 -7.23 0.29 -4.06 120.40 110.27 1x2q s VAL 20 Ca 0.50 -0.71 -0.07 0.00 -1.81 0.00 0.00 61.98 59.89 1x2q s VAL 20 Cb -0.10 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 1x2q s VAL 20 CO 0.27 -0.39 0.06 -0.60 -0.31 0.00 0.00 175.10 174.13 1x2q s ARG 21 N -1.90 3.73 0.07 4.82 6.06 -0.64 0.26 118.95 131.35 1x2q s ARG 21 Ca -0.10 -0.45 -0.31 0.00 -2.50 0.00 0.00 55.73 52.37 1x2q s ARG 21 Cb -0.04 -3.26 -0.10 0.00 0.06 0.00 0.00 34.95 31.60 1x2q s ARG 21 CO -0.00 -0.05 1.89 0.00 -2.50 0.00 0.00 175.30 174.64 1x2q n ALA 22 N 4.49 1.81 0.07 6.12 0.00 -0.17 -1.31 120.51 131.53 1x2q n ALA 22 Ca -0.16 0.28 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 1x2q n ALA 22 Cb 0.52 -2.61 -0.15 0.00 0.00 0.00 0.00 19.45 17.21 1x2q n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x2q h LEU 23 N 9.30 0.61 -9.48 0.00 3.38 -1.25 0.80 115.31 118.67 1x2q h LEU 23 Ca -0.48 -0.92 -0.59 0.00 0.09 0.00 0.00 57.88 55.98 1x2q h LEU 23 Cb 1.23 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.65 1x2q h LEU 23 CO 0.94 1.72 -0.64 -0.31 0.09 0.00 0.00 178.44 180.25 1x2q s TYR 24 N -2.55 2.35 -0.35 1.13 2.02 -1.24 -4.66 117.35 114.05 1x2q s TYR 24 Ca -0.15 -0.65 -0.22 0.00 -0.37 0.00 0.00 57.07 55.67 1x2q s TYR 24 Cb 0.05 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 1x2q s TYR 24 CO 0.85 0.42 0.72 0.34 -1.57 0.00 0.00 175.55 176.31 1x2q s ASP 25 N -3.62 6.51 0.53 2.29 2.15 -1.26 -3.07 116.67 120.20 1x2q s ASP 25 Ca 0.34 0.30 0.08 0.00 0.43 0.00 0.00 52.55 53.70 1x2q s ASP 25 Cb 0.07 -2.37 0.05 0.00 -0.30 0.00 0.00 42.92 40.37 1x2q s ASP 25 CO 0.17 -0.66 0.60 0.12 -0.17 0.00 0.00 175.17 175.23 1x2q s PHE 26 N 2.91 1.73 -0.30 -5.34 5.36 -0.04 -4.86 117.98 117.45 1x2q s PHE 26 Ca 0.28 -0.71 -0.07 0.00 -0.96 0.00 0.00 56.93 55.47 1x2q s PHE 26 Cb -0.14 -2.12 0.19 0.00 -0.34 0.00 0.00 43.02 40.61 1x2q s PHE 26 CO 0.15 -0.75 0.94 -2.00 -1.46 0.00 0.00 175.22 172.10 1x2q s GLU 27 N -4.45 0.24 0.06 10.12 2.12 -1.26 -3.88 118.70 121.66 1x2q s GLU 27 Ca 0.50 0.22 -0.34 0.00 0.36 0.00 0.00 54.97 55.71 1x2q s GLU 27 Cb -0.05 0.10 -0.18 0.00 0.26 0.00 0.00 34.13 34.27 1x2q s GLU 27 CO 0.31 -0.45 0.84 0.00 -0.54 0.00 0.00 175.26 175.42 1x2q n ALA 28 N 5.12 -3.26 -0.06 6.30 0.00 -0.95 -4.86 120.51 122.81 1x2q n ALA 28 Ca 0.08 0.52 -0.08 0.00 0.00 0.00 0.00 53.44 53.96 1x2q n ALA 28 Cb 0.57 -1.62 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 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 0.95 0.81 -1.60 0.00 3.14 -1.26 -4.98 118.33 115.40 1x2q n VAL 29 Ca 0.18 -0.41 -0.08 0.00 -2.96 0.00 0.00 64.34 61.08 1x2q n VAL 29 Cb 0.13 -0.85 0.05 0.00 -1.06 0.00 0.00 33.84 32.11 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 -2.66 -0.12 -1.84 1.45 1.02 -1.26 -4.98 120.64 112.25 1x2q n GLU 30 Ca -0.22 -0.63 -0.36 0.00 -0.02 0.00 0.00 57.16 55.92 1x2q n GLU 30 Cb 0.83 -0.32 0.04 0.00 -0.02 0.00 0.00 31.44 31.97 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 7.12 0.00 1.62 8.00 -1.26 -4.31 116.55 124.56 1x2q n ASP 31 Ca 0.05 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.74 1x2q n ASP 31 Cb 0.16 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 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 -0.64 0.00 -4.40 -2.24 5.15 -1.26 -5.17 115.26 106.70 1x2q n ASN 32 Ca 0.54 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 54.26 1x2q n ASN 32 Cb 0.43 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.59 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 1.92 -0.14 1.20 2.02 -1.26 -3.63 118.70 118.81 1x2q s GLU 33 Ca 0.00 -2.15 -0.10 0.00 0.02 0.00 0.00 54.97 52.74 1x2q s GLU 33 Cb 0.00 -0.98 -0.05 0.00 0.10 0.00 0.00 34.13 33.20 1x2q s GLU 33 CO 0.00 -0.34 0.18 -1.17 0.02 0.00 0.00 175.26 173.96 1x2q s LEU 34 N -3.65 4.32 -0.32 1.80 0.20 0.50 -4.05 118.68 117.48 1x2q s LEU 34 Ca 0.24 0.45 -0.03 0.00 0.69 0.00 0.00 54.13 55.48 1x2q s LEU 34 Cb 0.05 -2.16 0.05 0.00 -0.43 0.00 0.00 46.19 43.69 1x2q s LEU 34 CO 0.12 0.29 0.05 -0.89 -0.29 0.00 0.00 176.35 175.63 1x2q s THR 35 N -0.41 3.22 0.21 3.68 2.01 -1.26 -2.23 115.64 120.87 1x2q s THR 35 Ca 0.14 -1.38 -0.12 0.00 0.31 0.00 0.00 61.69 60.64 1x2q s THR 35 Cb -0.12 -2.88 -0.00 0.00 0.01 0.00 0.00 72.50 69.51 1x2q s THR 35 CO 0.03 -0.18 0.41 0.72 -0.69 0.00 0.00 174.62 174.91 1x2q s PHE 36 N 1.28 0.33 0.33 4.92 -0.12 -1.25 -4.78 117.98 118.70 1x2q s PHE 36 Ca -0.03 -0.69 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 1x2q s PHE 36 Cb -0.20 0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.32 1x2q s PHE 36 CO -0.00 -0.88 0.19 1.63 -0.05 0.00 0.00 175.22 176.11 1x2q n LYS 37 N -0.32 1.05 -2.61 1.99 4.01 -1.26 -0.86 118.16 120.16 1x2q n LYS 37 Ca -0.05 -2.15 -0.42 0.00 -0.51 0.00 0.00 58.31 55.18 1x2q n LYS 37 Cb 0.63 0.32 -0.03 0.00 -0.51 0.00 0.00 35.03 35.43 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 -1.78 3.60 0.00 2.13 -3.43 -1.17 -3.73 115.29 110.91 1x2q s HIS 38 Ca 0.14 1.58 0.00 0.00 -0.80 0.00 0.00 55.06 55.98 1x2q s HIS 38 Cb -0.01 -3.22 0.00 0.00 -1.43 0.00 0.00 32.58 27.92 1x2q s HIS 38 CO 0.09 -0.41 0.00 0.41 -2.00 0.00 0.00 174.74 172.83 1x2q n GLY 39 N 2.93 2.89 3.10 -1.38 0.00 0.28 -4.93 105.19 108.08 1x2q n GLY 39 Ca 0.07 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.15 1.61 1.02 -1.24 -3.47 120.64 115.41 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 -0.91 -0.06 0.00 -0.02 0.00 0.00 31.44 30.45 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 -0.93 4.67 -0.05 -3.67 -1.09 -1.26 -1.00 121.20 117.88 1x2q s ILE 41 Ca 0.58 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 1x2q s ILE 41 Cb -0.84 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 36.37 1x2q s ILE 41 CO 0.51 -0.04 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.54 1x2q s ILE 42 N -1.81 0.35 -0.47 2.92 1.01 0.14 -4.55 121.20 118.80 1x2q s ILE 42 Ca 0.49 0.04 -0.23 0.00 0.00 0.00 0.00 60.65 60.95 1x2q s ILE 42 Cb -0.12 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 41.93 1x2q s ILE 42 CO 0.19 0.21 0.78 -0.63 0.00 0.00 0.00 174.94 175.49 1x2q s ILE 43 N 1.31 4.64 0.03 2.92 1.09 0.49 -0.54 121.20 131.14 1x2q s ILE 43 Ca -0.05 0.29 -0.30 0.00 -1.10 0.00 0.00 60.65 59.48 1x2q s ILE 43 Cb -0.13 -4.35 -0.05 0.00 -1.06 0.00 0.00 42.46 36.87 1x2q s ILE 43 CO -0.02 -0.78 1.23 -0.69 -0.10 0.00 0.00 174.94 174.58 1x2q s VAL 44 N 3.30 4.02 -0.26 2.92 1.01 0.19 0.19 120.40 131.75 1x2q s VAL 44 Ca 0.28 1.42 -0.02 0.00 0.00 0.00 0.00 61.98 63.67 1x2q s VAL 44 Cb -0.13 -3.91 -0.16 0.00 0.00 0.00 0.00 36.38 32.18 1x2q s VAL 44 CO 0.21 0.07 -0.26 0.18 0.00 0.00 0.00 175.10 175.31 1x2q n LEU 45 N 4.37 2.76 -3.92 3.92 4.77 0.28 -3.99 117.00 125.19 1x2q n LEU 45 Ca 0.10 -0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.86 1x2q n LEU 45 Cb 0.46 -0.89 -0.16 0.00 -2.33 0.00 0.00 43.42 40.50 1x2q n LEU 45 CO 0.56 0.86 -0.41 -1.81 -1.33 0.00 0.00 177.39 175.26 1x2q s ASP 46 N -6.74 0.88 -0.12 -1.43 1.11 -0.22 -5.02 116.67 105.15 1x2q s ASP 46 Ca -0.36 -0.13 0.19 0.00 0.18 0.00 0.00 52.55 52.44 1x2q s ASP 46 Cb 0.10 -0.34 0.43 0.00 1.07 0.00 0.00 42.92 44.19 1x2q s ASP 46 CO 0.58 -0.01 1.18 -0.90 1.18 0.00 0.00 175.17 177.20 1x2q n ASP 47 N 3.68 1.54 -0.01 0.27 5.75 -1.26 -1.68 116.55 124.85 1x2q n ASP 47 Ca -0.22 -2.81 -0.09 0.00 -0.01 0.00 0.00 54.79 51.66 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 0.28 -0.11 0.00 0.00 177.20 177.37 1x2q h SER 48 N 1.20 -0.34 -1.87 -1.12 0.02 -1.95 -3.42 113.55 106.06 1x2q h SER 48 Ca -0.10 0.07 -0.44 0.00 -0.84 0.00 0.00 61.79 60.48 1x2q h SER 48 Cb 1.50 0.17 0.01 0.00 0.14 0.00 0.00 62.40 64.22 1x2q h SER 48 CO 0.11 -0.14 -0.29 -1.81 -1.14 0.00 0.00 176.83 173.56 1x2q s ASP 49 N -5.11 5.88 -0.18 3.07 1.11 -1.26 -5.04 116.67 115.14 1x2q s ASP 49 Ca -0.14 -0.17 0.08 0.00 0.18 0.00 0.00 52.55 52.50 1x2q s ASP 49 Cb 0.10 -1.16 -0.17 0.00 1.07 0.00 0.00 42.92 42.76 1x2q s ASP 49 CO 0.68 -0.54 -0.06 0.00 1.18 0.00 0.00 175.17 176.42 1x2q n ALA 50 N -1.75 1.58 0.08 5.23 0.00 -1.26 -4.54 120.51 119.85 1x2q n ALA 50 Ca 0.02 -0.97 -0.12 0.00 0.00 0.00 0.00 53.44 52.37 1x2q n ALA 50 Cb 0.58 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.71 -4.12 0.00 2.35 -1.96 -3.31 115.58 107.83 1x2q h ASN 51 Ca -0.45 0.09 -0.69 0.00 -0.55 0.00 0.00 56.30 54.70 1x2q h ASN 51 Cb 1.85 0.28 -0.24 0.00 0.05 0.00 0.00 38.32 40.26 1x2q h ASN 51 CO -0.02 -0.32 -0.87 0.26 -1.65 0.00 0.00 177.43 174.83 1x2q s TRP 52 N -6.07 2.35 -0.05 1.19 0.52 -1.26 -4.26 118.94 111.36 1x2q s TRP 52 Ca -0.15 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.60 1x2q s TRP 52 Cb 0.09 -1.35 0.01 0.00 -1.15 0.00 0.00 33.47 31.07 1x2q s TRP 52 CO 0.66 0.22 -0.08 -1.58 0.02 0.00 0.00 176.95 176.18 1x2q s TRP 53 N -0.91 1.05 -0.42 -1.98 0.52 0.36 -4.32 118.94 113.24 1x2q s TRP 53 Ca 0.13 -0.33 -0.19 0.00 0.02 0.00 0.00 56.10 55.74 1x2q s TRP 53 Cb -0.10 -0.81 0.02 0.00 -1.15 0.00 0.00 33.47 31.43 1x2q s TRP 53 CO 0.04 -0.20 0.51 0.21 0.02 0.00 0.00 176.95 177.54 1x2q s LYS 54 N 0.64 3.20 0.36 4.98 2.20 -0.67 -1.96 119.74 128.49 1x2q s LYS 54 Ca -0.11 -0.57 0.05 0.00 -0.36 0.00 0.00 55.97 54.98 1x2q s LYS 54 Cb -0.14 -3.95 -0.03 0.00 -1.51 0.00 0.00 37.83 32.21 1x2q s LYS 54 CO 0.02 -0.89 0.20 0.20 -0.36 0.00 0.00 175.35 174.52 1x2q s GLY 55 N 1.87 2.44 0.04 5.54 0.00 -1.20 0.10 107.32 116.11 1x2q s GLY 55 Ca 0.16 -1.64 0.03 0.00 0.00 0.00 0.00 44.72 43.28 1x2q s GLY 55 CO 0.15 -1.65 -0.09 1.85 0.00 0.00 0.00 173.10 173.37 1x2q s GLU 56 N -3.61 0.62 0.23 2.90 -6.30 0.49 -2.73 118.70 110.31 1x2q s GLU 56 Ca 0.32 -0.68 -0.09 0.00 -2.50 0.00 0.00 54.97 52.02 1x2q s GLU 56 Cb 0.03 -0.50 -0.02 0.00 0.00 0.00 0.00 34.13 33.64 1x2q s GLU 56 CO 0.20 0.11 0.37 0.54 0.02 0.00 0.00 175.26 176.50 1x2q s ASN 57 N -1.26 0.01 0.18 -1.70 2.20 0.21 0.19 114.94 114.77 1x2q s ASN 57 Ca -0.05 -1.09 -0.19 0.00 -0.94 0.00 0.00 52.86 50.59 1x2q s ASN 57 Cb -0.08 0.52 0.13 0.00 -2.00 0.00 0.00 41.25 39.82 1x2q s ASN 57 CO 0.01 -1.05 1.35 0.00 -2.94 0.00 0.00 177.10 174.47 1x2q n HIS 58 N -0.35 -0.09 -0.22 1.54 1.44 -1.26 0.19 115.22 116.47 1x2q n HIS 58 Ca -0.00 1.08 0.03 0.00 -2.01 0.00 0.00 57.72 56.81 1x2q n HIS 58 Cb 0.63 -0.75 0.14 0.00 0.12 0.00 0.00 29.99 30.13 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 -3.48 114.38 110.88 1x2q h ARG 59 Ca 0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1x2q h ARG 59 Cb 0.47 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1x2q h ARG 59 CO -0.85 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 178.63 1x2q n GLY 60 N -1.34 0.04 3.95 0.04 0.00 0.51 -5.10 105.19 103.30 1x2q n GLY 60 Ca 0.11 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.57 4.12 0.00 -0.61 1.09 -1.26 0.66 121.20 121.64 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 -1.53 1.81 3.86 6.18 0.00 -1.11 -4.68 105.19 109.73 1x2q n GLY 62 Ca -0.02 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 4.14 0.04 0.99 2.01 -1.24 -3.27 118.68 121.36 1x2q s LEU 63 Ca 0.00 1.10 -0.28 0.00 0.01 0.00 0.00 54.13 54.96 1x2q s LEU 63 Cb 0.00 -3.82 0.09 0.00 0.01 0.00 0.00 46.19 42.47 1x2q s LEU 63 CO 0.00 -0.12 0.96 0.72 1.01 0.00 0.00 176.35 178.93 1x2q s PHE 64 N -1.86 -0.23 0.19 0.29 -0.71 -0.83 0.19 117.98 115.02 1x2q s PHE 64 Ca 0.50 0.04 -0.30 0.00 -1.04 0.00 0.00 56.93 56.12 1x2q s PHE 64 Cb -0.11 0.58 -0.08 0.00 -1.21 0.00 0.00 43.02 42.20 1x2q s PHE 64 CO 0.19 -0.61 1.11 -1.25 -1.34 0.00 0.00 175.22 173.33 1x2q s PRO 65 N -3.09 4.58 0.04 1.99 0.04 -1.26 0.14 135.00 137.44 1x2q s PRO 65 Ca 0.09 1.75 0.21 0.00 0.04 0.00 0.00 61.00 63.09 1x2q s PRO 65 Cb -0.01 -3.26 0.89 0.00 0.04 0.00 0.00 34.50 32.16 1x2q s PRO 65 CO -0.04 0.07 1.67 -1.13 0.04 0.00 0.00 177.00 177.61 1x2q n SER 66 N 2.28 0.12 -0.51 6.66 3.41 -1.25 -2.10 113.62 122.24 1x2q n SER 66 Ca 0.03 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.20 1x2q n SER 66 Cb 0.46 -0.55 0.11 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.62 1.46 -0.37 4.04 3.02 -1.26 -3.17 115.26 117.36 1x2q n ASN 67 Ca 0.05 -2.02 0.03 0.00 -0.03 0.00 0.00 54.58 52.61 1x2q n ASN 67 Cb 0.25 -0.20 0.08 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.24 0.22 -4.28 3.10 3.01 -0.89 -4.91 117.46 113.95 1x2q n PHE 68 Ca 0.09 -0.39 -0.16 0.00 1.01 0.00 0.00 57.45 57.99 1x2q n PHE 68 Cb 0.24 -0.03 -0.09 0.00 -0.01 0.00 0.00 39.48 39.59 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 -0.90 0.18 -0.01 -4.37 -7.23 -1.19 -0.78 120.40 106.10 1x2q s VAL 69 Ca 0.13 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1x2q s VAL 69 Cb 0.07 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1x2q s VAL 69 CO 0.09 0.00 -0.04 0.28 -0.31 0.00 0.00 175.10 175.12 1x2q s THR 70 N -3.77 0.39 -0.64 5.32 -1.32 -0.42 -4.75 115.64 110.45 1x2q s THR 70 Ca 0.38 -0.16 -0.13 0.00 -1.21 0.00 0.00 61.69 60.57 1x2q s THR 70 Cb 0.05 -0.36 -0.11 0.00 -1.51 0.00 0.00 72.50 70.57 1x2q s THR 70 CO 0.17 0.13 1.83 0.35 -2.21 0.00 0.00 174.62 174.90 1x2q n THR 71 N 3.28 1.62 0.00 5.08 -2.24 -1.26 -1.84 114.28 118.92 1x2q n THR 71 Ca -0.17 -1.14 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1x2q n THR 71 Cb 0.56 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 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 5.96 0.00 0.00 3.42 2.85 -1.26 -5.03 115.26 121.20 1x2q n ASN 72 Ca 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.87 1x2q n ASN 72 Cb 0.24 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.26 1x2q n ASN 72 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x2q n LEU 73 N 0.00 0.00 -4.49 1.20 4.77 -1.26 -1.62 117.00 115.60 1x2q n LEU 73 Ca 0.00 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.52 1x2q n LEU 73 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1x2q n LEU 73 CO 0.00 0.00 1.91 -0.46 -1.33 0.00 0.00 177.39 177.51 1x2q n ASN 74 N 0.00 2.07 -3.78 -1.43 0.23 -1.26 -4.80 115.26 106.29 1x2q n ASN 74 Ca 0.00 0.16 -0.42 0.00 -0.53 0.00 0.00 54.58 53.79 1x2q n ASN 74 Cb 0.00 -1.32 0.00 0.00 -2.08 0.00 0.00 39.78 36.38 1x2q n ASN 74 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1x2q n ILE 75 N 7.47 3.64 -0.12 1.53 5.41 -1.26 -4.47 119.36 131.56 1x2q n ILE 75 Ca 0.42 -3.31 -0.26 0.00 1.00 0.00 0.00 62.75 60.59 1x2q n ILE 75 Cb 0.30 -2.55 -0.11 0.00 -0.71 0.00 0.00 39.64 36.56 1x2q n ILE 75 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x2q n GLU 76 N 5.72 0.59 -1.68 0.38 0.00 -1.26 -4.95 120.64 119.43 1x2q n GLU 76 Ca 0.49 0.36 -0.43 0.00 0.00 0.00 0.00 57.16 57.58 1x2q n GLU 76 Cb 0.39 -1.58 -0.01 0.00 0.00 0.00 0.00 31.44 30.23 1x2q n GLU 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1x2q n THR 77 N -4.22 1.84 -4.39 6.31 -2.24 -1.26 -5.00 114.28 105.31 1x2q n THR 77 Ca -0.46 -0.46 -0.19 0.00 -2.27 0.00 0.00 64.05 60.67 1x2q n THR 77 Cb 0.83 -1.51 -0.10 0.00 -2.10 0.00 0.00 70.33 67.45 1x2q n THR 77 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x2q s GLU 78 N -1.62 1.51 -0.30 -0.78 2.12 -1.26 -5.14 118.70 113.23 1x2q s GLU 78 Ca 0.58 -1.81 -0.15 0.00 0.36 0.00 0.00 54.97 53.95 1x2q s GLU 78 Cb -0.59 -0.68 0.18 0.00 0.26 0.00 0.00 34.13 33.29 1x2q s GLU 78 CO 0.60 -0.18 1.12 0.00 -0.54 0.00 0.00 175.26 176.26 1x2q s ALA 79 N -3.41 -3.70 -0.10 6.30 0.00 -1.26 -5.15 121.76 114.44 1x2q s ALA 79 Ca 0.34 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1x2q s ALA 79 Cb 0.07 -2.59 0.02 0.00 0.00 0.00 0.00 23.12 20.63 1x2q s ALA 79 CO 0.13 -1.55 -0.08 0.00 0.00 0.00 0.00 175.76 174.25 1x2q s ALA 80 N 2.97 1.30 0.03 0.00 0.00 -1.26 -5.04 121.76 119.76 1x2q s ALA 80 Ca -0.01 -0.51 -0.27 0.00 0.00 0.00 0.00 51.96 51.17 1x2q s ALA 80 Cb -0.09 -0.84 -0.15 0.00 0.00 0.00 0.00 23.12 22.04 1x2q s ALA 80 CO -0.11 -0.32 1.26 0.00 0.00 0.00 0.00 175.76 176.59 1x2q h ALA 81 N 7.95 -1.12 -1.86 0.00 0.00 -2.06 -3.39 119.26 118.78 1x2q h ALA 81 Ca -0.30 -0.21 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 1x2q h ALA 81 Cb 1.14 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1x2q h ALA 81 CO 0.42 -1.05 1.33 0.08 0.00 0.00 0.00 179.25 180.04 1x2q s VAL 82 N -4.88 3.37 -0.12 0.00 1.01 -1.26 -4.85 120.40 113.67 1x2q s VAL 82 Ca -0.14 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1x2q s VAL 82 Cb 0.01 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1x2q s VAL 82 CO 0.42 -0.35 0.00 -1.28 0.00 0.00 0.00 175.10 173.89 1x2q h SER 83 N 13.64 0.00 -5.03 3.32 0.87 -2.05 -3.49 113.55 120.80 1x2q h SER 83 Ca -0.34 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.04 1x2q h SER 83 Cb 1.18 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.96 1x2q h SER 83 CO 1.03 0.63 -0.31 -0.83 -0.53 0.00 0.00 176.83 176.82 1x2q s GLY 84 N -3.82 -0.08 -0.12 5.77 0.00 -1.26 -5.13 107.32 102.68 1x2q s GLY 84 Ca -0.06 0.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.38 1x2q s GLY 84 CO 0.12 -0.18 1.25 2.56 0.00 0.00 0.00 173.10 176.85 1x2q s PRO 85 N -2.12 4.27 1.12 2.90 0.04 -1.26 -5.01 135.00 134.94 1x2q s PRO 85 Ca -0.08 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 1x2q s PRO 85 Cb -0.03 -3.69 0.26 0.00 0.04 0.00 0.00 34.50 31.08 1x2q s PRO 85 CO -0.01 -0.62 1.05 0.45 0.04 0.00 0.00 177.00 177.91 1x2q s SER 86 N 1.83 1.38 -0.14 6.66 0.15 -1.26 -5.01 113.70 117.32 1x2q s SER 86 Ca 0.56 1.58 -0.11 0.00 0.70 0.00 0.00 55.95 58.68 1x2q s SER 86 Cb -0.23 -2.30 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1x2q s SER 86 CO 0.18 -3.96 -0.21 -1.54 1.20 0.00 0.00 173.24 168.90 1x2q n SER 87 N -4.76 1.64 0.00 5.45 3.41 -1.26 -5.30 113.62 112.80 1x2q n SER 87 Ca 0.04 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1x2q n SER 87 Cb 0.54 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49