#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 -5.59 -3.63 1.61 7.64 -1.26 -5.05 113.62 107.35 1x2q n SER 2 Ca 0.00 1.38 -0.20 0.00 1.01 0.00 0.00 58.87 61.06 1x2q n SER 2 Cb 0.00 -5.21 -0.16 0.00 -1.01 0.00 0.00 64.21 57.82 1x2q n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x2q s SER 3 N -1.31 1.24 0.00 6.43 0.15 -1.26 -5.13 113.70 113.82 1x2q s SER 3 Ca -0.09 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1x2q s SER 3 Cb 0.01 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1x2q s SER 3 CO 0.77 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1x2q n GLY 4 N 5.31 4.58 3.74 9.45 0.00 -1.26 -5.17 105.19 121.84 1x2q n GLY 4 Ca -0.05 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 1x2q n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2q s SER 5 N 1.15 5.05 0.00 1.61 1.04 -1.26 -5.13 113.70 116.15 1x2q s SER 5 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1x2q s SER 5 Cb 0.00 -1.13 -0.00 0.00 0.10 0.00 0.00 66.02 64.98 1x2q s SER 5 CO 0.00 -0.01 -0.01 -0.55 0.98 0.00 0.00 173.24 173.65 1x2q s SER 6 N -3.71 0.12 0.00 7.02 0.15 -1.26 -5.12 113.70 110.90 1x2q s SER 6 Ca 0.32 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1x2q s SER 6 Cb -0.07 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1x2q s SER 6 CO 0.22 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1x2q n GLY 7 N 2.99 0.48 3.56 9.45 0.00 -1.26 -5.04 105.19 115.37 1x2q n GLY 7 Ca -0.13 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 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 -4.00 4.78 -0.10 1.61 0.01 -1.26 -4.90 113.70 109.84 1x2q s SER 8 Ca 0.00 1.22 -0.09 0.00 1.31 0.00 0.00 55.95 58.39 1x2q s SER 8 Cb 0.00 -2.51 0.03 0.00 0.21 0.00 0.00 66.02 63.75 1x2q s SER 8 CO 0.00 -2.59 0.26 -0.70 0.41 0.00 0.00 173.24 170.62 1x2q s GLU 9 N 7.64 0.30 0.58 12.44 2.12 -1.26 -5.15 118.70 135.37 1x2q s GLU 9 Ca 0.95 0.38 -0.19 0.00 0.36 0.00 0.00 54.97 56.47 1x2q s GLU 9 Cb -0.21 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.28 1x2q s GLU 9 CO 0.28 -0.04 1.19 -1.50 -0.54 0.00 0.00 175.26 174.65 1x2q s ILE 10 N 0.21 2.74 -1.11 -3.70 2.07 -1.26 -4.95 121.20 115.20 1x2q s ILE 10 Ca -0.01 0.46 -0.09 0.00 -1.41 0.00 0.00 60.65 59.60 1x2q s ILE 10 Cb -0.02 -3.19 0.27 0.00 0.13 0.00 0.00 42.46 39.65 1x2q s ILE 10 CO -0.00 -0.09 1.12 -1.10 -1.91 0.00 0.00 174.94 172.95 1x2q s GLN 11 N -3.29 4.19 -0.01 3.50 -0.21 -1.26 -4.85 119.66 117.73 1x2q s GLN 11 Ca 0.76 -3.18 -0.15 0.00 0.02 0.00 0.00 55.36 52.81 1x2q s GLN 11 Cb -0.29 -4.58 -0.08 0.00 1.00 0.00 0.00 33.01 29.06 1x2q s GLN 11 CO 0.32 -1.26 0.79 -0.07 -2.12 0.00 0.00 175.29 172.95 1x2q h LEU 12 N 6.81 -0.47 -9.03 2.90 3.38 -2.03 -3.47 115.31 113.41 1x2q h LEU 12 Ca 0.18 0.02 -0.44 0.00 0.09 0.00 0.00 57.88 57.73 1x2q h LEU 12 Cb 0.88 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.61 1x2q h LEU 12 CO 1.02 -0.18 -0.66 0.54 0.09 0.00 0.00 178.44 179.25 1x2q s ASN 13 N -4.06 2.27 0.21 -0.43 2.20 -1.26 -5.07 114.94 108.80 1x2q s ASN 13 Ca -0.08 -1.23 0.00 0.00 -0.94 0.00 0.00 52.86 50.61 1x2q s ASN 13 Cb 0.01 -0.07 0.00 0.00 -2.00 0.00 0.00 41.25 39.19 1x2q s ASN 13 CO 0.24 -0.46 0.00 -3.20 -2.94 0.00 0.00 177.10 170.74 1x2q n ASN 14 N -0.52 -0.12 -4.46 3.54 5.15 -1.26 -5.09 115.26 112.50 1x2q n ASN 14 Ca -0.05 0.35 -0.52 0.00 -0.60 0.00 0.00 54.58 53.76 1x2q n ASN 14 Cb 0.64 0.29 -0.05 0.00 -0.53 0.00 0.00 39.78 40.13 1x2q n ASN 14 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1x2q n LYS 15 N -3.19 0.12 -3.79 1.20 5.02 -1.26 -4.90 118.16 111.36 1x2q n LYS 15 Ca 0.00 0.04 -0.36 0.00 -2.02 0.00 0.00 58.31 55.98 1x2q n LYS 15 Cb 0.00 -1.28 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 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 -0.56 5.09 0.32 -0.18 -7.23 -1.26 -5.07 120.40 111.51 1x2q s VAL 16 Ca 0.75 0.08 -0.01 0.00 -1.81 0.00 0.00 61.98 60.99 1x2q s VAL 16 Cb -1.05 -3.34 -0.01 0.00 0.56 0.00 0.00 36.38 32.54 1x2q s VAL 16 CO 0.56 0.40 0.39 0.00 -0.31 0.00 0.00 175.10 176.14 1x2q s ALA 17 N 0.77 1.02 -0.52 1.32 0.00 -1.26 -5.12 121.76 117.98 1x2q s ALA 17 Ca 0.06 -1.64 -0.16 0.00 0.00 0.00 0.00 51.96 50.22 1x2q s ALA 17 Cb -0.13 1.26 0.11 0.00 0.00 0.00 0.00 23.12 24.36 1x2q s ALA 17 CO 0.02 -0.74 0.48 0.50 0.00 0.00 0.00 175.76 176.02 1x2q s ARG 18 N -3.34 2.99 0.23 0.00 3.52 -1.22 -4.98 118.95 116.16 1x2q s ARG 18 Ca 0.33 -1.55 -0.14 0.00 -0.13 0.00 0.00 55.73 54.24 1x2q s ARG 18 Cb 0.01 -4.24 -0.08 0.00 -1.56 0.00 0.00 34.95 29.08 1x2q s ARG 18 CO 0.21 -1.24 0.64 0.15 -0.81 0.00 0.00 175.30 174.24 1x2q s LYS 19 N 1.71 4.00 0.01 5.12 1.02 -1.26 0.18 119.74 130.52 1x2q s LYS 19 Ca 0.04 0.57 -0.05 0.00 0.02 0.00 0.00 55.97 56.55 1x2q s LYS 19 Cb -0.28 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.33 1x2q s LYS 19 CO 0.05 0.33 0.10 0.14 -0.92 0.00 0.00 175.35 175.04 1x2q s VAL 20 N -1.72 0.09 -0.24 3.17 -7.23 0.23 -4.66 120.40 110.03 1x2q s VAL 20 Ca 0.46 -0.72 -0.09 0.00 -1.81 0.00 0.00 61.98 59.82 1x2q s VAL 20 Cb -0.13 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1x2q s VAL 20 CO 0.19 -0.40 0.11 -0.60 -0.31 0.00 0.00 175.10 174.10 1x2q s ARG 21 N -1.35 3.86 0.03 4.82 6.06 -0.78 -0.62 118.95 130.97 1x2q s ARG 21 Ca -0.14 -0.38 -0.30 0.00 -2.50 0.00 0.00 55.73 52.41 1x2q s ARG 21 Cb -0.08 -3.42 -0.08 0.00 0.06 0.00 0.00 34.95 31.43 1x2q s ARG 21 CO 0.01 -0.05 1.70 0.00 -2.50 0.00 0.00 175.30 174.45 1x2q s ALA 22 N 1.31 3.65 -0.06 6.12 0.00 -0.45 -0.95 121.76 131.37 1x2q s ALA 22 Ca 0.06 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 1x2q s ALA 22 Cb -0.15 -3.73 -0.30 0.00 0.00 0.00 0.00 23.12 18.94 1x2q s ALA 22 CO 0.05 -1.26 0.63 -0.07 0.00 0.00 0.00 175.76 175.11 1x2q h LEU 23 N 9.37 0.56 -9.37 0.00 3.38 0.17 1.44 115.31 120.86 1x2q h LEU 23 Ca -0.43 -0.92 -0.58 0.00 0.09 0.00 0.00 57.88 56.05 1x2q h LEU 23 Cb 1.20 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 1x2q h LEU 23 CO 0.94 1.75 -0.66 -0.31 0.09 0.00 0.00 178.44 180.25 1x2q s TYR 24 N -2.55 2.27 -0.42 1.13 2.02 -1.15 -4.62 117.35 114.02 1x2q s TYR 24 Ca -0.17 -0.61 -0.24 0.00 -0.37 0.00 0.00 57.07 55.68 1x2q s TYR 24 Cb 0.05 -1.36 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1x2q s TYR 24 CO 0.83 0.45 0.83 0.16 -1.57 0.00 0.00 175.55 176.24 1x2q s ASP 25 N -3.57 6.50 0.52 2.29 -4.77 -1.26 -3.12 116.67 113.26 1x2q s ASP 25 Ca 0.32 0.15 0.05 0.00 -3.30 0.00 0.00 52.55 49.78 1x2q s ASP 25 Cb 0.04 -2.41 0.04 0.00 -1.09 0.00 0.00 42.92 39.51 1x2q s ASP 25 CO 0.15 -0.88 0.71 0.12 0.70 0.00 0.00 175.17 175.98 1x2q s PHE 26 N 3.34 2.47 -0.30 2.11 5.36 -0.12 -4.87 117.98 125.97 1x2q s PHE 26 Ca 0.33 -0.33 -0.09 0.00 -0.96 0.00 0.00 56.93 55.88 1x2q s PHE 26 Cb -0.12 -2.53 0.15 0.00 -0.34 0.00 0.00 43.02 40.19 1x2q s PHE 26 CO 0.21 -0.81 0.71 -2.00 -1.46 0.00 0.00 175.22 171.88 1x2q s GLU 27 N -4.61 0.51 0.12 10.12 2.12 -1.26 -3.67 118.70 122.03 1x2q s GLU 27 Ca 0.58 1.15 -0.34 0.00 0.36 0.00 0.00 54.97 56.72 1x2q s GLU 27 Cb -0.09 0.68 -0.18 0.00 0.26 0.00 0.00 34.13 34.81 1x2q s GLU 27 CO 0.37 -0.30 0.96 0.00 -0.54 0.00 0.00 175.26 175.75 1x2q n ALA 28 N 5.37 -2.37 -0.07 6.30 0.00 -1.06 -4.87 120.51 123.81 1x2q n ALA 28 Ca -0.08 0.51 -0.07 0.00 0.00 0.00 0.00 53.44 53.79 1x2q n ALA 28 Cb 0.50 -1.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.03 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 1.12 0.90 -2.65 0.00 3.14 -1.26 -5.01 118.33 114.57 1x2q n VAL 29 Ca 0.18 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1x2q n VAL 29 Cb 0.19 -0.72 0.00 0.00 -1.06 0.00 0.00 33.84 32.24 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 1.25 -1.30 1.45 1.02 -1.26 -5.00 120.64 114.23 1x2q n GLU 30 Ca -0.23 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.62 1x2q n GLU 30 Cb 0.91 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.44 1x2q n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x2q n ASP 31 N -2.48 5.93 -2.55 1.62 -0.08 -1.26 -4.28 116.55 113.45 1x2q n ASP 31 Ca 0.00 -3.73 -0.03 0.00 -1.51 0.00 0.00 54.79 49.52 1x2q n ASP 31 Cb 0.00 -0.88 -0.00 0.00 2.34 0.00 0.00 41.12 42.57 1x2q n ASP 31 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1x2q n ASN 32 N -1.00 -1.08 -4.67 1.67 5.15 -1.26 -5.16 115.26 108.90 1x2q n ASN 32 Ca 0.60 -1.64 -0.31 0.00 -0.60 0.00 0.00 54.58 52.62 1x2q n ASN 32 Cb 1.05 0.90 -0.08 0.00 -0.53 0.00 0.00 39.78 41.12 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 0.04 2.11 -0.13 1.20 2.02 -1.26 -3.77 118.70 118.90 1x2q s GLU 33 Ca 0.04 -2.31 -0.10 0.00 0.02 0.00 0.00 54.97 52.62 1x2q s GLU 33 Cb 0.08 -1.46 -0.05 0.00 0.10 0.00 0.00 34.13 32.80 1x2q s GLU 33 CO -0.02 -0.30 0.20 -1.17 0.02 0.00 0.00 175.26 173.99 1x2q s LEU 34 N -3.81 4.33 -0.30 1.80 0.20 0.51 -4.14 118.68 117.28 1x2q s LEU 34 Ca 0.14 0.48 -0.00 0.00 0.69 0.00 0.00 54.13 55.44 1x2q s LEU 34 Cb 0.04 -2.20 0.06 0.00 -0.43 0.00 0.00 46.19 43.66 1x2q s LEU 34 CO 0.07 0.29 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.51 1x2q s THR 35 N -0.43 2.75 0.25 3.68 2.01 -1.26 -2.57 115.64 120.07 1x2q s THR 35 Ca 0.15 -1.52 -0.10 0.00 0.31 0.00 0.00 61.69 60.52 1x2q s THR 35 Cb -0.13 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1x2q s THR 35 CO 0.04 -0.13 0.42 0.72 -0.69 0.00 0.00 174.62 174.98 1x2q s PHE 36 N 1.19 0.54 0.34 4.92 -0.12 -1.24 -4.80 117.98 118.81 1x2q s PHE 36 Ca -0.05 -0.87 0.02 0.00 -0.05 0.00 0.00 56.93 55.98 1x2q s PHE 36 Cb -0.20 0.05 0.02 0.00 -0.63 0.00 0.00 43.02 42.27 1x2q s PHE 36 CO -0.03 -0.95 0.18 1.63 -0.05 0.00 0.00 175.22 176.00 1x2q n LYS 37 N -0.38 1.05 -2.76 1.99 4.01 -1.26 -0.94 118.16 119.87 1x2q n LYS 37 Ca -0.01 -2.23 -0.41 0.00 -0.51 0.00 0.00 58.31 55.16 1x2q n LYS 37 Cb 0.63 0.36 -0.04 0.00 -0.51 0.00 0.00 35.03 35.46 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 -1.86 3.80 0.00 2.13 -3.43 -1.18 -3.77 115.29 110.98 1x2q s HIS 38 Ca 0.13 1.75 0.00 0.00 -0.80 0.00 0.00 55.06 56.15 1x2q s HIS 38 Cb -0.01 -3.03 0.00 0.00 -1.43 0.00 0.00 32.58 28.11 1x2q s HIS 38 CO 0.08 0.21 0.00 0.41 -2.00 0.00 0.00 174.74 173.44 1x2q n GLY 39 N 2.29 3.04 3.54 -1.38 0.00 0.49 -4.92 105.19 108.25 1x2q n GLY 39 Ca 0.02 -0.81 -0.45 0.00 0.00 0.00 0.00 46.02 44.78 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 0.99 -3.36 1.61 1.02 -1.25 -3.94 120.64 115.72 1x2q n GLU 40 Ca 0.00 0.35 -0.32 0.00 -0.02 0.00 0.00 57.16 57.16 1x2q n GLU 40 Cb 0.00 -1.64 -0.06 0.00 -0.02 0.00 0.00 31.44 29.73 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 -1.09 4.88 -0.01 -3.67 -1.09 -1.26 -1.34 121.20 117.61 1x2q s ILE 41 Ca 0.60 0.61 0.02 0.00 -2.23 0.00 0.00 60.65 59.64 1x2q s ILE 41 Cb -0.74 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1x2q s ILE 41 CO 0.59 -0.05 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.57 1x2q s ILE 42 N -1.80 0.44 -0.47 2.92 1.01 0.20 -4.58 121.20 118.92 1x2q s ILE 42 Ca 0.47 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.74 1x2q s ILE 42 Cb -0.12 -0.41 0.04 0.00 0.01 0.00 0.00 42.46 41.99 1x2q s ILE 42 CO 0.20 0.15 0.63 -0.63 0.00 0.00 0.00 174.94 175.29 1x2q s ILE 43 N 0.19 4.86 -0.02 2.92 1.09 0.49 -0.60 121.20 130.13 1x2q s ILE 43 Ca -0.02 -0.22 -0.30 0.00 -1.10 0.00 0.00 60.65 59.01 1x2q s ILE 43 Cb -0.06 -4.25 -0.04 0.00 -1.06 0.00 0.00 42.46 37.05 1x2q s ILE 43 CO -0.00 -0.70 1.21 -0.69 -0.10 0.00 0.00 174.94 174.66 1x2q s VAL 44 N 2.71 4.17 -0.24 2.92 1.01 0.48 0.17 120.40 131.63 1x2q s VAL 44 Ca 0.18 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.72 1x2q s VAL 44 Cb -0.17 -3.98 -0.17 0.00 0.00 0.00 0.00 36.38 32.07 1x2q s VAL 44 CO 0.15 0.03 -0.19 0.18 0.00 0.00 0.00 175.10 175.28 1x2q n LEU 45 N 4.84 2.69 -3.93 3.92 4.77 0.36 -3.37 117.00 126.28 1x2q n LEU 45 Ca 0.10 -0.12 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 1x2q n LEU 45 Cb 0.46 -0.72 -0.16 0.00 -2.33 0.00 0.00 43.42 40.68 1x2q n LEU 45 CO 0.55 0.87 -0.41 -1.81 -1.33 0.00 0.00 177.39 175.26 1x2q s ASP 46 N -6.25 0.89 -0.30 -1.43 1.11 -0.11 -5.02 116.67 105.56 1x2q s ASP 46 Ca -0.30 -0.13 0.19 0.00 0.18 0.00 0.00 52.55 52.49 1x2q s ASP 46 Cb 0.08 -0.32 0.48 0.00 1.07 0.00 0.00 42.92 44.23 1x2q s ASP 46 CO 0.58 -0.00 1.03 -0.90 1.18 0.00 0.00 175.17 177.06 1x2q n ASP 47 N 3.62 1.75 -0.74 0.27 5.75 -1.26 -0.75 116.55 125.19 1x2q n ASP 47 Ca -0.21 -2.51 0.06 0.00 -0.01 0.00 0.00 54.79 52.13 1x2q n ASP 47 Cb 0.53 -0.50 0.17 0.00 -1.03 0.00 0.00 41.12 40.30 1x2q n ASP 47 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1x2q n SER 48 N -0.32 2.13 -3.69 -1.12 7.64 -1.26 -4.74 113.62 112.26 1x2q n SER 48 Ca 0.11 -2.01 -0.15 0.00 1.01 0.00 0.00 58.87 57.83 1x2q n SER 48 Cb 0.81 -0.27 -0.14 0.00 -1.01 0.00 0.00 64.21 63.60 1x2q n SER 48 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x2q s ASP 49 N -0.99 0.37 0.33 6.43 -1.08 -1.25 -5.00 116.67 115.48 1x2q s ASP 49 Ca 0.26 0.42 0.26 0.00 -0.52 0.00 0.00 52.55 52.98 1x2q s ASP 49 Cb 0.14 0.39 0.80 0.00 -1.46 0.00 0.00 42.92 42.79 1x2q s ASP 49 CO 0.18 -0.22 1.75 0.00 0.52 0.00 0.00 175.17 177.40 1x2q h ALA 50 N 8.01 1.00 0.05 3.66 0.00 -2.00 -3.19 119.26 126.80 1x2q h ALA 50 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1x2q h ALA 50 Cb 1.12 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1x2q h ALA 50 CO 0.22 0.00 -0.29 -0.91 0.00 0.00 0.00 179.25 178.27 1x2q h ASN 51 N 0.00 0.17 -4.30 0.00 2.35 -1.94 -3.39 115.58 108.46 1x2q h ASN 51 Ca 0.00 -0.98 -0.54 0.00 -0.55 0.00 0.00 56.30 54.23 1x2q h ASN 51 Cb 0.70 -0.05 -0.27 0.00 0.05 0.00 0.00 38.32 38.75 1x2q h ASN 51 CO 0.00 1.14 -0.83 0.26 -1.65 0.00 0.00 177.43 176.35 1x2q s TRP 52 N -2.30 1.60 -0.05 1.19 0.52 -1.20 -4.37 118.94 114.32 1x2q s TRP 52 Ca -0.17 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 55.64 1x2q s TRP 52 Cb -0.02 -0.98 0.01 0.00 -1.15 0.00 0.00 33.47 31.33 1x2q s TRP 52 CO 0.74 0.04 -0.14 -1.58 0.02 0.00 0.00 176.95 176.03 1x2q s TRP 53 N -0.68 1.52 -0.34 -1.98 0.52 0.37 -3.94 118.94 114.41 1x2q s TRP 53 Ca 0.06 -0.50 -0.16 0.00 0.02 0.00 0.00 56.10 55.52 1x2q s TRP 53 Cb -0.08 -1.07 -0.01 0.00 -1.15 0.00 0.00 33.47 31.16 1x2q s TRP 53 CO 0.01 -0.22 0.40 0.21 0.02 0.00 0.00 176.95 177.37 1x2q s LYS 54 N 0.36 3.57 0.33 4.98 2.20 0.07 -1.67 119.74 129.58 1x2q s LYS 54 Ca -0.09 -0.36 0.05 0.00 -0.36 0.00 0.00 55.97 55.21 1x2q s LYS 54 Cb -0.13 -3.81 -0.02 0.00 -1.51 0.00 0.00 37.83 32.36 1x2q s LYS 54 CO 0.03 -0.56 0.32 0.20 -0.36 0.00 0.00 175.35 174.98 1x2q s GLY 55 N 1.74 2.13 0.03 5.54 0.00 -1.20 0.14 107.32 115.71 1x2q s GLY 55 Ca 0.13 -1.95 0.03 0.00 0.00 0.00 0.00 44.72 42.93 1x2q s GLY 55 CO 0.12 -1.37 -0.09 1.85 0.00 0.00 0.00 173.10 173.61 1x2q s GLU 56 N -3.36 0.61 0.21 2.90 -6.30 0.45 -2.77 118.70 110.43 1x2q s GLU 56 Ca 0.39 -0.65 -0.06 0.00 -2.50 0.00 0.00 54.97 52.14 1x2q s GLU 56 Cb 0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 34.13 33.64 1x2q s GLU 56 CO 0.26 0.11 0.28 0.54 0.02 0.00 0.00 175.26 176.47 1x2q s ASN 57 N -1.20 0.05 0.22 -1.70 2.20 0.12 0.19 114.94 114.81 1x2q s ASN 57 Ca -0.05 -1.15 -0.16 0.00 -0.94 0.00 0.00 52.86 50.57 1x2q s ASN 57 Cb -0.08 0.46 0.23 0.00 -2.00 0.00 0.00 41.25 39.87 1x2q s ASN 57 CO 0.01 -0.96 1.44 1.57 -2.94 0.00 0.00 177.10 176.21 1x2q n HIS 58 N -0.30 0.04 -0.13 1.54 -0.00 -1.26 0.11 115.22 115.22 1x2q n HIS 58 Ca -0.01 1.14 -0.05 0.00 -0.00 0.00 0.00 57.72 58.81 1x2q n HIS 58 Cb 0.64 -0.85 0.02 0.00 -0.00 0.00 0.00 29.99 29.79 1x2q n HIS 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x2q h ARG 59 N 0.00 -0.09 0.00 1.57 3.08 -1.96 -3.48 114.38 113.50 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 30.63 1x2q h ARG 59 CO -0.92 -0.06 0.00 0.41 -1.07 0.00 0.00 179.97 178.33 1x2q n GLY 60 N -1.37 -0.43 3.93 0.04 0.00 0.31 -5.11 105.19 102.57 1x2q n GLY 60 Ca 0.03 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.33 4.62 0.00 -0.61 1.01 -1.26 0.15 121.20 121.78 1x2q s ILE 61 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1x2q s ILE 61 Cb 0.00 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1x2q s ILE 61 CO 0.00 -0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.28 1x2q n GLY 62 N -1.42 1.69 3.89 6.18 0.00 -1.12 -4.66 105.19 109.75 1x2q n GLY 62 Ca -0.06 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 3.88 -0.09 0.99 2.01 -1.25 -3.21 118.68 121.01 1x2q s LEU 63 Ca 0.00 0.94 -0.32 0.00 0.01 0.00 0.00 54.13 54.76 1x2q s LEU 63 Cb 0.00 -3.81 0.12 0.00 0.01 0.00 0.00 46.19 42.51 1x2q s LEU 63 CO 0.00 -0.36 1.12 0.72 1.01 0.00 0.00 176.35 178.84 1x2q s PHE 64 N -2.33 -0.17 0.22 0.29 -0.71 -0.67 0.19 117.98 114.80 1x2q s PHE 64 Ca 0.48 0.07 -0.30 0.00 -1.04 0.00 0.00 56.93 56.14 1x2q s PHE 64 Cb -0.10 0.54 -0.09 0.00 -1.21 0.00 0.00 43.02 42.16 1x2q s PHE 64 CO 0.33 -0.35 1.10 -1.25 -1.34 0.00 0.00 175.22 173.71 1x2q s PRO 65 N -2.67 4.62 0.16 1.99 0.04 -1.26 0.14 135.00 138.02 1x2q s PRO 65 Ca 0.09 1.76 0.27 0.00 0.04 0.00 0.00 61.00 63.15 1x2q s PRO 65 Cb -0.00 -3.24 0.92 0.00 0.04 0.00 0.00 34.50 32.22 1x2q s PRO 65 CO -0.05 0.14 1.81 -1.13 0.04 0.00 0.00 177.00 177.81 1x2q n SER 66 N 1.84 0.61 -0.07 6.66 3.41 -1.26 -2.67 113.62 122.14 1x2q n SER 66 Ca 0.01 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1x2q n SER 66 Cb 0.45 -0.72 0.63 0.00 -0.26 0.00 0.00 64.21 64.31 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 -2.07 0.21 -0.02 4.04 5.15 -1.26 -2.84 115.26 118.47 1x2q n ASN 67 Ca 0.06 -1.35 0.09 0.00 -0.60 0.00 0.00 54.58 52.77 1x2q n ASN 67 Cb 0.40 -0.01 -0.16 0.00 -0.53 0.00 0.00 39.78 39.48 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 -0.70 0.00 -3.92 1.20 3.01 -1.09 -4.96 117.46 111.00 1x2q n PHE 68 Ca 0.17 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.37 1x2q n PHE 68 Cb 0.11 -0.50 -0.00 0.00 -0.01 0.00 0.00 39.48 39.08 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 -2.24 0.00 -3.99 -4.37 0.24 -1.13 0.19 118.33 107.02 1x2q n VAL 69 Ca -0.06 -2.15 -0.09 0.00 -2.04 0.00 0.00 64.34 60.01 1x2q n VAL 69 Cb 0.57 -0.01 -0.11 0.00 -1.47 0.00 0.00 33.84 32.83 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 -2.68 0.13 -1.10 3.34 -1.32 -0.13 -4.77 115.64 109.11 1x2q s THR 70 Ca 0.29 -1.08 -0.08 0.00 -1.21 0.00 0.00 61.69 59.61 1x2q s THR 70 Cb -0.02 -0.55 0.28 0.00 -1.51 0.00 0.00 72.50 70.70 1x2q s THR 70 CO 0.18 -0.59 1.15 0.35 -2.21 0.00 0.00 174.62 173.51 1x2q n THR 71 N 1.26 4.61 0.07 5.08 -2.24 -1.26 -1.86 114.28 119.93 1x2q n THR 71 Ca -0.22 -5.45 0.00 0.00 -2.27 0.00 0.00 64.05 56.11 1x2q n THR 71 Cb 0.56 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.29 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 2.45 -1.20 -1.02 3.42 2.85 -1.26 -5.09 115.26 115.41 1x2q n ASN 72 Ca 0.24 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 1x2q n ASN 72 Cb 0.38 1.48 0.00 0.00 1.24 0.00 0.00 39.78 42.88 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 -2.77 -2.34 -4.37 1.20 4.77 -1.26 -3.85 117.00 108.37 1x2q n LEU 73 Ca 0.00 1.93 -0.51 0.00 -0.03 0.00 0.00 56.01 57.39 1x2q n LEU 73 Cb 0.00 -1.50 -0.12 0.00 -2.33 0.00 0.00 43.42 39.47 1x2q n LEU 73 CO 0.00 0.15 1.93 -3.20 -1.33 0.00 0.00 177.39 174.94 1x2q n ASN 74 N -0.73 0.77 -2.72 -1.43 5.15 -1.26 -2.95 115.26 112.09 1x2q n ASN 74 Ca 0.00 0.42 -0.04 0.00 -0.60 0.00 0.00 54.58 54.37 1x2q n ASN 74 Cb 0.00 -0.97 -0.03 0.00 -0.53 0.00 0.00 39.78 38.25 1x2q n ASN 74 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1x2q n ILE 75 N 7.00 -9.00 -1.51 -1.44 2.08 -1.26 -4.87 119.36 110.36 1x2q n ILE 75 Ca 0.57 1.90 -0.36 0.00 0.56 0.00 0.00 62.75 65.42 1x2q n ILE 75 Cb 0.03 -5.16 0.09 0.00 -0.75 0.00 0.00 39.64 33.85 1x2q n ILE 75 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1x2q n GLU 76 N 2.00 0.78 -2.36 0.38 2.13 -1.15 -4.48 120.64 117.93 1x2q n GLU 76 Ca -0.27 0.33 -0.04 0.00 0.66 0.00 0.00 57.16 57.84 1x2q n GLU 76 Cb 0.41 -2.49 -0.03 0.00 0.27 0.00 0.00 31.44 29.60 1x2q n GLU 76 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1x2q n THR 77 N -2.41-11.56 -2.69 6.31 -1.04 -1.26 -4.85 114.28 96.77 1x2q n THR 77 Ca 0.15 2.46 -0.42 0.00 -2.04 0.00 0.00 64.05 64.21 1x2q n THR 77 Cb 0.49 -6.01 -0.03 0.00 -1.82 0.00 0.00 70.33 62.95 1x2q n THR 77 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1x2q s GLU 78 N -0.75 3.21 0.30 -2.82 2.12 -1.26 -4.34 118.70 115.16 1x2q s GLU 78 Ca -0.20 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.50 1x2q s GLU 78 Cb 0.01 -4.33 0.00 0.00 0.26 0.00 0.00 34.13 30.07 1x2q s GLU 78 CO 0.53 -2.00 0.00 0.00 -0.54 0.00 0.00 175.26 173.25 1x2q n ALA 79 N 8.52 0.00 -2.94 6.30 0.00 -1.26 -5.10 120.51 126.02 1x2q n ALA 79 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1x2q n ALA 79 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 -3.12 -2.94 0.11 0.00 0.00 -1.26 -4.99 120.51 108.32 1x2q n ALA 80 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1x2q n ALA 80 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.22 1x2q n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2q n ALA 81 N -0.15 3.00 -2.69 0.00 0.00 -1.26 -5.13 120.51 114.29 1x2q n ALA 81 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 1x2q n ALA 81 Cb 0.45 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1x2q n ALA 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x2q n VAL 82 N -3.34-11.41 0.08 0.00 0.31 -1.26 -4.95 118.33 97.75 1x2q n VAL 82 Ca 0.00 2.29 -0.09 0.00 -0.01 0.00 0.00 64.34 66.54 1x2q n VAL 82 Cb 0.00 -6.19 -0.06 0.00 -0.91 0.00 0.00 33.84 26.69 1x2q n VAL 82 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1x2q h SER 83 N 3.98 -0.24 -2.50 4.52 0.87 -2.02 -3.51 113.55 114.64 1x2q h SER 83 Ca -0.39 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1x2q h SER 83 Cb 0.90 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1x2q h SER 83 CO 0.03 0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 1x2q n GLY 84 N 0.74 0.63 2.43 5.77 0.00 -1.26 -4.85 105.19 108.65 1x2q n GLY 84 Ca -0.06 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.57 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 2.59 -1.34 1.61 -0.04 -1.26 -4.92 135.00 131.64 1x2q n PRO 85 Ca 0.00 -1.62 -0.33 0.00 -0.04 0.00 0.00 63.50 61.51 1x2q n PRO 85 Cb 0.00 -2.49 0.10 0.00 -0.04 0.00 0.00 33.50 31.06 1x2q n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x2q s SER 86 N 2.79 4.25 0.52 3.54 0.15 -1.26 -4.79 113.70 118.90 1x2q s SER 86 Ca 0.52 2.12 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1x2q s SER 86 Cb 0.15 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1x2q s SER 86 CO -0.04 -2.22 0.00 -0.24 1.20 0.00 0.00 173.24 171.94 1x2q n SER 87 N -3.10 -7.07 -0.74 5.45 2.88 -1.26 -5.24 113.62 104.55 1x2q n SER 87 Ca 0.11 1.49 0.09 0.00 -1.33 0.00 0.00 58.87 59.23 1x2q n SER 87 Cb 0.52 -4.24 0.08 0.00 -0.75 0.00 0.00 64.21 59.81 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42