#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 -4.27 -1.26 1.61 3.41 -1.26 -5.17 113.62 106.69 1x2q n SER 2 Ca 0.00 0.92 0.16 0.00 -0.26 0.00 0.00 58.87 59.69 1x2q n SER 2 Cb 0.00 3.95 -0.08 0.00 -0.26 0.00 0.00 64.21 67.83 1x2q n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x2q n SER 3 N -3.47 -7.08 0.00 4.04 2.88 -1.26 -5.04 113.62 103.69 1x2q n SER 3 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1x2q n SER 3 Cb 0.00 -4.23 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 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 -4.05 0.10 2.34 0.46 0.00 -1.26 -5.11 105.19 97.66 1x2q n GLY 4 Ca -0.07 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1x2q n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x2q n SER 5 N 0.00 -9.33 -3.92 1.61 7.64 -1.26 -5.07 113.62 103.28 1x2q n SER 5 Ca 0.00 1.84 -0.13 0.00 1.01 0.00 0.00 58.87 61.59 1x2q n SER 5 Cb 0.00 -5.14 -0.08 0.00 -1.01 0.00 0.00 64.21 57.97 1x2q n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x2q s SER 6 N -0.58 0.45 -0.03 6.43 0.01 -1.26 -5.18 113.70 113.54 1x2q s SER 6 Ca 0.00 -1.38 -0.05 0.00 1.31 0.00 0.00 55.95 55.83 1x2q s SER 6 Cb 0.00 0.48 0.01 0.00 0.21 0.00 0.00 66.02 66.71 1x2q s SER 6 CO 0.00 -0.98 0.12 -0.83 0.41 0.00 0.00 173.24 171.96 1x2q s GLY 7 N -3.18 -0.04 -0.30 3.44 0.00 -1.26 -5.15 107.32 100.83 1x2q s GLY 7 Ca 0.36 0.19 -0.26 0.00 0.00 0.00 0.00 44.72 45.00 1x2q s GLY 7 CO 0.15 0.12 1.47 -1.35 0.00 0.00 0.00 173.10 173.48 1x2q s SER 8 N -0.38 -0.00 -0.30 1.64 1.04 -1.26 -5.14 113.70 109.30 1x2q s SER 8 Ca -0.05 0.00 -0.03 0.00 0.48 0.00 0.00 55.95 56.36 1x2q s SER 8 Cb -0.03 0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.13 1x2q s SER 8 CO 0.00 -0.00 0.02 -0.70 0.98 0.00 0.00 173.24 173.54 1x2q s GLU 9 N -0.33 2.55 -0.01 4.02 2.56 -1.26 -4.91 118.70 121.32 1x2q s GLU 9 Ca 0.09 -1.19 0.19 0.00 0.00 0.00 0.00 54.97 54.06 1x2q s GLU 9 Cb -0.04 -3.23 -0.24 0.00 2.00 0.00 0.00 34.13 32.63 1x2q s GLU 9 CO -0.14 -0.59 0.67 0.44 -0.56 0.00 0.00 175.26 175.08 1x2q n ILE 10 N 4.68 0.00 -3.29 -3.70 -6.64 -1.26 -4.93 119.36 104.23 1x2q n ILE 10 Ca -0.13 -0.19 -0.38 0.00 -1.77 0.00 0.00 62.75 60.27 1x2q n ILE 10 Cb 0.44 0.67 -0.06 0.00 -1.44 0.00 0.00 39.64 39.26 1x2q n ILE 10 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1x2q s GLN 11 N -2.98 4.23 0.06 6.28 -2.07 -1.26 -5.07 119.66 118.85 1x2q s GLN 11 Ca 0.02 0.63 -0.08 0.00 -1.82 0.00 0.00 55.36 54.12 1x2q s GLN 11 Cb 0.14 -3.32 -0.01 0.00 -1.09 0.00 0.00 33.01 28.73 1x2q s GLN 11 CO 0.79 0.43 0.15 -0.51 -1.32 0.00 0.00 175.29 174.84 1x2q s LEU 12 N -0.36 1.58 -0.03 2.60 1.43 -1.26 -5.16 118.68 117.48 1x2q s LEU 12 Ca 0.29 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1x2q s LEU 12 Cb -0.18 0.86 -0.03 0.00 0.03 0.00 0.00 46.19 46.87 1x2q s LEU 12 CO 0.16 -0.63 -0.04 0.54 0.23 0.00 0.00 176.35 176.60 1x2q s ASN 13 N -2.53 4.84 -0.15 2.29 2.20 -1.26 -5.04 114.94 115.29 1x2q s ASN 13 Ca 0.01 -0.03 -0.11 0.00 -0.94 0.00 0.00 52.86 51.79 1x2q s ASN 13 Cb 0.03 -1.23 -0.07 0.00 -2.00 0.00 0.00 41.25 37.98 1x2q s ASN 13 CO -0.08 0.32 -0.06 -1.13 -2.94 0.00 0.00 177.10 173.21 1x2q h ASN 14 N 4.81 0.00 -3.60 3.54 -1.24 -2.06 -3.51 115.58 113.52 1x2q h ASN 14 Ca -0.49 -0.12 0.35 0.00 0.71 0.00 0.00 56.30 56.75 1x2q h ASN 14 Cb 1.17 0.00 -0.18 0.00 0.73 0.00 0.00 38.32 40.04 1x2q h ASN 14 CO 0.54 0.89 -1.19 1.17 -1.29 0.00 0.00 177.43 177.55 1x2q n LYS 15 N -4.59 -3.27 -3.87 6.67 3.00 -1.26 -4.82 118.16 110.02 1x2q n LYS 15 Ca -0.12 2.63 -0.35 0.00 -0.00 0.00 0.00 58.31 60.47 1x2q n LYS 15 Cb 0.33 -3.84 -0.10 0.00 0.00 0.00 0.00 35.03 31.42 1x2q n LYS 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1x2q s VAL 16 N -4.07 4.94 0.13 3.15 -7.23 -1.26 -5.09 120.40 110.97 1x2q s VAL 16 Ca 0.00 0.03 0.02 0.00 -1.81 0.00 0.00 61.98 60.22 1x2q s VAL 16 Cb 0.00 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 1x2q s VAL 16 CO 0.00 0.42 -0.06 0.00 -0.31 0.00 0.00 175.10 175.15 1x2q s ALA 17 N 0.67 1.19 -0.72 1.32 0.00 -1.26 -5.09 121.76 117.86 1x2q s ALA 17 Ca 0.05 -1.45 -0.27 0.00 0.00 0.00 0.00 51.96 50.29 1x2q s ALA 17 Cb -0.13 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1x2q s ALA 17 CO 0.01 -0.22 1.26 0.50 0.00 0.00 0.00 175.76 177.31 1x2q s ARG 18 N -3.83 3.22 0.40 0.00 6.06 -1.23 -4.94 118.95 118.63 1x2q s ARG 18 Ca 0.16 -0.22 -0.08 0.00 -2.50 0.00 0.00 55.73 53.10 1x2q s ARG 18 Cb 0.05 -4.17 -0.05 0.00 0.06 0.00 0.00 34.95 30.84 1x2q s ARG 18 CO -0.01 -2.09 0.73 0.15 -2.50 0.00 0.00 175.30 171.57 1x2q s LYS 19 N 5.60 3.68 -0.06 5.12 1.02 -1.26 0.19 119.74 134.02 1x2q s LYS 19 Ca 0.35 0.29 -0.16 0.00 0.02 0.00 0.00 55.97 56.46 1x2q s LYS 19 Cb -0.08 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.82 1x2q s LYS 19 CO 0.16 -0.04 0.38 0.14 -0.92 0.00 0.00 175.35 175.07 1x2q s VAL 20 N -2.43 0.03 -0.23 3.17 -7.23 0.14 -4.55 120.40 109.31 1x2q s VAL 20 Ca 0.48 -0.29 -0.09 0.00 -1.81 0.00 0.00 61.98 60.28 1x2q s VAL 20 Cb -0.10 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 1x2q s VAL 20 CO 0.35 -0.16 0.11 -0.60 -0.31 0.00 0.00 175.10 174.49 1x2q s ARG 21 N -0.88 3.89 0.10 4.82 3.52 -0.96 0.11 118.95 129.56 1x2q s ARG 21 Ca -0.09 -0.36 -0.31 0.00 -0.13 0.00 0.00 55.73 54.83 1x2q s ARG 21 Cb -0.04 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.85 1x2q s ARG 21 CO 0.04 0.00 1.79 0.00 -0.81 0.00 0.00 175.30 176.32 1x2q s ALA 22 N 1.15 3.73 -0.09 6.12 0.00 0.11 -1.30 121.76 131.48 1x2q s ALA 22 Ca 0.06 1.38 -0.09 0.00 0.00 0.00 0.00 51.96 53.30 1x2q s ALA 22 Cb -0.14 -3.75 -0.28 0.00 0.00 0.00 0.00 23.12 18.95 1x2q s ALA 22 CO 0.04 -1.22 0.49 -0.07 0.00 0.00 0.00 175.76 175.01 1x2q h LEU 23 N 8.73 0.48 -9.44 0.00 3.38 0.10 1.06 115.31 119.63 1x2q h LEU 23 Ca -0.45 -0.93 -0.60 0.00 0.09 0.00 0.00 57.88 55.98 1x2q h LEU 23 Cb 1.21 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 1x2q h LEU 23 CO 0.94 1.81 -0.68 -0.31 0.09 0.00 0.00 178.44 180.30 1x2q s TYR 24 N -2.56 2.44 -0.32 1.13 2.02 -1.17 -4.63 117.35 114.27 1x2q s TYR 24 Ca -0.20 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 55.85 1x2q s TYR 24 Cb 0.06 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 1x2q s TYR 24 CO 0.80 0.59 0.84 0.16 -1.57 0.00 0.00 175.55 176.37 1x2q s ASP 25 N -3.62 6.69 0.52 2.29 1.47 -1.26 -3.01 116.67 119.75 1x2q s ASP 25 Ca 0.32 0.68 0.07 0.00 1.18 0.00 0.00 52.55 54.81 1x2q s ASP 25 Cb -0.01 -2.43 0.04 0.00 -0.34 0.00 0.00 42.92 40.18 1x2q s ASP 25 CO 0.17 -0.68 0.53 0.12 0.68 0.00 0.00 175.17 175.99 1x2q s PHE 26 N 3.11 1.81 -0.30 2.11 5.36 -0.02 -4.87 117.98 125.19 1x2q s PHE 26 Ca 0.35 -0.72 -0.07 0.00 -0.96 0.00 0.00 56.93 55.53 1x2q s PHE 26 Cb -0.14 -2.08 0.19 0.00 -0.34 0.00 0.00 43.02 40.66 1x2q s PHE 26 CO 0.14 -0.62 0.93 -2.00 -1.46 0.00 0.00 175.22 172.21 1x2q s GLU 27 N -4.37 0.26 0.08 10.12 2.12 -1.25 -3.93 118.70 121.72 1x2q s GLU 27 Ca 0.46 0.22 -0.33 0.00 0.36 0.00 0.00 54.97 55.68 1x2q s GLU 27 Cb -0.04 0.11 -0.18 0.00 0.26 0.00 0.00 34.13 34.28 1x2q s GLU 27 CO 0.28 -0.47 0.79 0.00 -0.54 0.00 0.00 175.26 175.33 1x2q n ALA 28 N 5.11 -3.20 -0.07 6.30 0.00 -0.90 -4.86 120.51 122.89 1x2q n ALA 28 Ca 0.08 0.51 -0.08 0.00 0.00 0.00 0.00 53.44 53.95 1x2q n ALA 28 Cb 0.57 -1.62 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 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 0.81 0.87 -1.47 0.00 3.14 -1.26 -4.97 118.33 115.44 1x2q n VAL 29 Ca 0.18 -0.45 -0.07 0.00 -2.96 0.00 0.00 64.34 61.04 1x2q n VAL 29 Cb 0.15 -0.83 0.05 0.00 -1.06 0.00 0.00 33.84 32.14 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 -2.67 -0.17 -1.02 1.45 1.02 -1.26 -4.97 120.64 113.03 1x2q n GLU 30 Ca -0.23 -0.57 -0.07 0.00 -0.02 0.00 0.00 57.16 56.27 1x2q n GLU 30 Cb 0.86 -0.31 0.29 0.00 -0.02 0.00 0.00 31.44 32.25 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 -3.17 4.65 -2.69 1.62 9.92 -1.26 -4.30 116.55 121.32 1x2q n ASP 31 Ca 0.04 -3.27 -0.06 0.00 -0.53 0.00 0.00 54.79 50.97 1x2q n ASP 31 Cb 0.15 -0.74 0.09 0.00 -0.64 0.00 0.00 41.12 39.98 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 -0.28 -1.77 -4.41 -2.24 5.15 -1.26 -5.15 115.26 105.31 1x2q n ASN 32 Ca 0.42 -2.35 -0.26 0.00 -0.60 0.00 0.00 54.58 51.79 1x2q n ASN 32 Cb 1.39 1.06 -0.09 0.00 -0.53 0.00 0.00 39.78 41.60 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 0.17 1.90 -0.14 1.20 2.02 -1.26 -3.74 118.70 118.84 1x2q s GLU 33 Ca 0.18 -2.13 -0.10 0.00 0.02 0.00 0.00 54.97 52.95 1x2q s GLU 33 Cb 0.33 -0.98 -0.05 0.00 0.10 0.00 0.00 34.13 33.53 1x2q s GLU 33 CO -0.07 -0.32 0.18 -1.17 0.02 0.00 0.00 175.26 173.90 1x2q s LEU 34 N -3.63 4.32 -0.32 1.80 0.20 0.51 -4.06 118.68 117.49 1x2q s LEU 34 Ca 0.25 0.44 -0.03 0.00 0.69 0.00 0.00 54.13 55.49 1x2q s LEU 34 Cb 0.05 -2.17 0.05 0.00 -0.43 0.00 0.00 46.19 43.69 1x2q s LEU 34 CO 0.13 0.28 0.05 -0.89 -0.29 0.00 0.00 176.35 175.63 1x2q s THR 35 N -0.36 3.24 0.25 3.68 2.01 -1.26 -2.12 115.64 121.09 1x2q s THR 35 Ca 0.14 -1.38 -0.12 0.00 0.31 0.00 0.00 61.69 60.63 1x2q s THR 35 Cb -0.12 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.49 1x2q s THR 35 CO 0.03 -0.19 0.47 0.72 -0.69 0.00 0.00 174.62 174.96 1x2q s PHE 36 N 1.28 0.41 0.47 4.92 -0.12 -1.25 -4.78 117.98 118.91 1x2q s PHE 36 Ca -0.03 -0.77 0.00 0.00 -0.05 0.00 0.00 56.93 56.09 1x2q s PHE 36 Cb -0.20 0.16 -0.00 0.00 -0.63 0.00 0.00 43.02 42.35 1x2q s PHE 36 CO -0.00 -0.99 0.01 1.63 -0.05 0.00 0.00 175.22 175.82 1x2q n LYS 37 N -0.39 0.82 -2.27 1.99 5.02 -1.26 -0.84 118.16 121.23 1x2q n LYS 37 Ca -0.01 -3.46 -0.35 0.00 -2.02 0.00 0.00 58.31 52.47 1x2q n LYS 37 Cb 0.62 1.01 -0.00 0.00 -0.02 0.00 0.00 35.03 36.64 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 -2.75 2.70 0.00 2.13 -3.43 -1.16 -3.35 115.29 109.43 1x2q s HIS 38 Ca 0.02 1.54 0.00 0.00 -0.80 0.00 0.00 55.06 55.82 1x2q s HIS 38 Cb 0.00 -3.29 0.00 0.00 -1.43 0.00 0.00 32.58 27.86 1x2q s HIS 38 CO 0.01 -1.54 0.00 0.41 -2.00 0.00 0.00 174.74 171.62 1x2q n GLY 39 N 0.16 1.98 3.45 -1.38 0.00 0.37 -4.92 105.19 104.85 1x2q n GLY 39 Ca 0.11 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 0.55 -3.55 1.61 1.02 -1.21 -4.03 120.64 115.03 1x2q n GLU 40 Ca 0.00 0.20 -0.33 0.00 -0.02 0.00 0.00 57.16 57.01 1x2q n GLU 40 Cb 0.00 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.34 5.06 -0.04 -3.67 -1.09 -1.26 0.06 121.20 118.92 1x2q s ILE 41 Ca 0.62 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 59.40 1x2q s ILE 41 Cb -0.68 -3.64 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1x2q s ILE 41 CO 0.59 0.11 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.76 1x2q s ILE 42 N -1.60 0.31 -0.48 2.92 1.09 0.30 -4.52 121.20 119.22 1x2q s ILE 42 Ca 0.40 0.04 -0.22 0.00 -1.10 0.00 0.00 60.65 59.77 1x2q s ILE 42 Cb -0.13 -0.40 0.04 0.00 -1.06 0.00 0.00 42.46 40.91 1x2q s ILE 42 CO 0.21 0.19 0.73 -0.63 -0.10 0.00 0.00 174.94 175.34 1x2q s ILE 43 N 1.17 4.71 -0.06 2.92 1.09 0.50 0.28 121.20 131.80 1x2q s ILE 43 Ca -0.08 0.05 -0.30 0.00 -1.10 0.00 0.00 60.65 59.23 1x2q s ILE 43 Cb -0.14 -4.33 -0.03 0.00 -1.06 0.00 0.00 42.46 36.90 1x2q s ILE 43 CO -0.02 -0.79 1.25 -0.69 -0.10 0.00 0.00 174.94 174.59 1x2q s VAL 44 N 3.12 4.15 -0.25 2.92 1.01 0.50 0.14 120.40 131.99 1x2q s VAL 44 Ca 0.24 1.48 -0.03 0.00 0.00 0.00 0.00 61.98 63.67 1x2q s VAL 44 Cb -0.15 -3.95 -0.17 0.00 0.00 0.00 0.00 36.38 32.11 1x2q s VAL 44 CO 0.18 -0.02 -0.20 0.18 0.00 0.00 0.00 175.10 175.24 1x2q n LEU 45 N 5.43 2.71 -4.00 3.92 4.77 0.18 -3.53 117.00 126.49 1x2q n LEU 45 Ca 0.12 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 1x2q n LEU 45 Cb 0.46 -0.91 -0.16 0.00 -2.33 0.00 0.00 43.42 40.48 1x2q n LEU 45 CO 0.56 0.84 -0.45 -1.81 -1.33 0.00 0.00 177.39 175.20 1x2q s ASP 46 N -6.78 1.44 -0.29 -1.43 1.11 0.10 -5.03 116.67 105.79 1x2q s ASP 46 Ca -0.35 -0.23 0.16 0.00 0.18 0.00 0.00 52.55 52.31 1x2q s ASP 46 Cb 0.10 -0.53 0.48 0.00 1.07 0.00 0.00 42.92 44.04 1x2q s ASP 46 CO 0.59 0.04 1.12 -0.90 1.18 0.00 0.00 175.17 177.20 1x2q n ASP 47 N 3.57 2.84 0.01 0.27 5.68 -1.26 -1.25 116.55 126.41 1x2q n ASP 47 Ca -0.21 -2.77 -0.12 0.00 -0.50 0.00 0.00 54.79 51.19 1x2q n ASP 47 Cb 0.53 -0.44 -0.09 0.00 -1.14 0.00 0.00 41.12 39.97 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 2.52 -0.08 -3.67 -1.12 0.02 -1.96 -3.42 113.55 105.84 1x2q h SER 48 Ca 0.06 -0.48 -0.62 0.00 -0.84 0.00 0.00 61.79 59.91 1x2q h SER 48 Cb 1.32 0.02 -0.15 0.00 0.14 0.00 0.00 62.40 63.73 1x2q h SER 48 CO 0.45 0.47 -0.45 -0.62 -1.14 0.00 0.00 176.83 175.53 1x2q s ASP 49 N -5.63 6.14 0.39 3.07 2.15 -1.26 -4.95 116.67 116.58 1x2q s ASP 49 Ca -0.15 0.14 0.18 0.00 0.43 0.00 0.00 52.55 53.15 1x2q s ASP 49 Cb 0.01 -2.13 0.79 0.00 -0.30 0.00 0.00 42.92 41.29 1x2q s ASP 49 CO 0.61 -0.00 1.80 0.00 -0.17 0.00 0.00 175.17 177.41 1x2q h ALA 50 N 7.78 1.13 0.05 3.66 0.00 -1.99 -2.98 119.26 126.90 1x2q h ALA 50 Ca -0.36 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1x2q h ALA 50 Cb 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1x2q h ALA 50 CO 0.63 0.44 -0.02 -0.91 0.00 0.00 0.00 179.25 179.39 1x2q h ASN 51 N 0.00 -0.05 -3.31 0.00 2.35 -1.93 -3.33 115.58 109.30 1x2q h ASN 51 Ca -0.00 -0.15 -0.60 0.00 -0.55 0.00 0.00 56.30 54.99 1x2q h ASN 51 Cb 0.76 0.01 -0.34 0.00 0.05 0.00 0.00 38.32 38.81 1x2q h ASN 51 CO 0.05 0.12 -0.84 0.26 -1.65 0.00 0.00 177.43 175.36 1x2q s TRP 52 N -5.52 2.06 -0.12 1.19 0.52 -1.13 -4.29 118.94 111.66 1x2q s TRP 52 Ca -0.14 -0.91 -0.01 0.00 0.02 0.00 0.00 56.10 55.06 1x2q s TRP 52 Cb 0.04 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.89 1x2q s TRP 52 CO 0.66 -0.43 -0.08 -1.58 0.02 0.00 0.00 176.95 175.53 1x2q s TRP 53 N 0.75 2.93 -0.45 -1.98 0.52 0.49 -4.06 118.94 117.13 1x2q s TRP 53 Ca -0.11 -0.29 -0.17 0.00 0.02 0.00 0.00 56.10 55.55 1x2q s TRP 53 Cb -0.16 -1.84 0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1x2q s TRP 53 CO 0.02 0.04 0.47 0.21 0.02 0.00 0.00 176.95 177.71 1x2q s LYS 54 N -0.04 3.07 0.38 4.98 2.20 -0.38 -1.99 119.74 127.95 1x2q s LYS 54 Ca -0.00 -0.94 0.05 0.00 -0.36 0.00 0.00 55.97 54.72 1x2q s LYS 54 Cb -0.14 -4.04 -0.03 0.00 -1.51 0.00 0.00 37.83 32.12 1x2q s LYS 54 CO 0.03 -0.98 0.19 0.20 -0.36 0.00 0.00 175.35 174.43 1x2q s GLY 55 N 2.21 2.49 0.05 5.54 0.00 -1.22 0.49 107.32 116.88 1x2q s GLY 55 Ca 0.11 -1.56 0.03 0.00 0.00 0.00 0.00 44.72 43.30 1x2q s GLY 55 CO 0.11 -1.68 -0.10 1.85 0.00 0.00 0.00 173.10 173.28 1x2q s GLU 56 N -3.61 0.64 0.22 2.90 2.12 0.38 -2.93 118.70 118.42 1x2q s GLU 56 Ca 0.30 -0.81 -0.09 0.00 0.36 0.00 0.00 54.97 54.74 1x2q s GLU 56 Cb 0.02 -0.50 -0.02 0.00 0.26 0.00 0.00 34.13 33.90 1x2q s GLU 56 CO 0.20 0.10 0.36 0.54 -0.54 0.00 0.00 175.26 175.92 1x2q s ASN 57 N -1.58 -0.01 0.22 -1.70 2.20 0.13 0.19 114.94 114.40 1x2q s ASN 57 Ca -0.06 -1.06 -0.16 0.00 -0.94 0.00 0.00 52.86 50.64 1x2q s ASN 57 Cb -0.10 0.51 0.24 0.00 -2.00 0.00 0.00 41.25 39.90 1x2q s ASN 57 CO 0.01 -1.03 1.45 1.57 -2.94 0.00 0.00 177.10 176.17 1x2q n HIS 58 N -0.33 0.05 -0.18 1.54 -0.00 -1.26 0.15 115.22 115.19 1x2q n HIS 58 Ca -0.01 1.15 -0.01 0.00 -0.00 0.00 0.00 57.72 58.86 1x2q n HIS 58 Cb 0.63 -0.86 0.08 0.00 -0.00 0.00 0.00 29.99 29.84 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 0.13 0.00 1.57 3.08 -1.96 -3.48 114.38 113.73 1x2q h ARG 59 Ca 0.34 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1x2q h ARG 59 Cb 0.57 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1x2q h ARG 59 CO -0.93 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 178.46 1x2q n GLY 60 N -1.33 -0.13 3.95 0.04 0.00 0.39 -5.10 105.19 103.01 1x2q n GLY 60 Ca 0.07 -1.20 -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 -3.37 4.29 0.00 -0.61 1.09 -1.26 0.21 121.20 121.56 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 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 1x2q s ILE 61 CO 0.00 -0.22 0.00 0.61 -0.10 0.00 0.00 174.94 175.23 1x2q n GLY 62 N -1.50 1.70 3.87 6.18 0.00 -1.15 -4.67 105.19 109.62 1x2q n GLY 62 Ca -0.03 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 4.06 -0.00 0.99 2.01 -1.24 -3.41 118.68 121.08 1x2q s LEU 63 Ca 0.00 1.04 -0.29 0.00 0.01 0.00 0.00 54.13 54.89 1x2q s LEU 63 Cb 0.00 -3.84 0.10 0.00 0.01 0.00 0.00 46.19 42.46 1x2q s LEU 63 CO 0.00 -0.19 1.06 0.72 1.01 0.00 0.00 176.35 178.95 1x2q s PHE 64 N -2.00 -0.17 0.30 0.29 -0.71 -0.84 0.19 117.98 115.04 1x2q s PHE 64 Ca 0.50 0.02 -0.28 0.00 -1.04 0.00 0.00 56.93 56.12 1x2q s PHE 64 Cb -0.11 0.56 -0.09 0.00 -1.21 0.00 0.00 43.02 42.17 1x2q s PHE 64 CO 0.23 -0.49 1.08 -1.25 -1.34 0.00 0.00 175.22 173.44 1x2q s PRO 65 N -2.87 4.55 0.01 1.99 0.04 -1.26 0.18 135.00 137.64 1x2q s PRO 65 Ca 0.10 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.13 1x2q s PRO 65 Cb 0.00 -3.05 0.98 0.00 0.04 0.00 0.00 34.50 32.48 1x2q s PRO 65 CO -0.04 0.15 1.76 -1.13 0.04 0.00 0.00 177.00 177.78 1x2q n SER 66 N 0.92 0.20 -1.01 6.66 3.41 -1.25 -3.08 113.62 119.47 1x2q n SER 66 Ca 0.00 0.27 0.04 0.00 -0.26 0.00 0.00 58.87 58.93 1x2q n SER 66 Cb 0.46 -0.27 0.19 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.55 2.85 -0.00 4.04 5.15 -1.26 -3.40 115.26 121.09 1x2q n ASN 67 Ca 0.06 -2.29 0.04 0.00 -0.60 0.00 0.00 54.58 51.79 1x2q n ASN 67 Cb 0.34 -0.47 -0.05 0.00 -0.53 0.00 0.00 39.78 39.08 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 -4.28 1.20 3.01 -1.18 -4.98 117.46 111.64 1x2q n PHE 68 Ca 0.13 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.31 1x2q n PHE 68 Cb 0.57 -0.07 -0.03 0.00 -0.01 0.00 0.00 39.48 39.94 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 -1.40 0.00 -3.96 -4.37 0.24 -1.22 0.80 118.33 108.42 1x2q n VAL 69 Ca 0.00 -2.23 -0.15 0.00 -2.04 0.00 0.00 64.34 59.92 1x2q n VAL 69 Cb 0.15 0.20 -0.15 0.00 -1.47 0.00 0.00 33.84 32.57 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 -2.72 0.17 -0.83 3.34 -1.32 -0.42 -4.76 115.64 109.10 1x2q s THR 70 Ca 0.16 -0.01 -0.06 0.00 -1.21 0.00 0.00 61.69 60.57 1x2q s THR 70 Cb -0.01 -0.20 -0.10 0.00 -1.51 0.00 0.00 72.50 70.68 1x2q s THR 70 CO 0.10 0.09 2.51 0.35 -2.21 0.00 0.00 174.62 175.46 1x2q n THR 71 N 3.52 2.83 -3.01 5.08 -2.24 -1.26 -2.26 114.28 116.94 1x2q n THR 71 Ca -0.19 -1.63 0.04 0.00 -2.27 0.00 0.00 64.05 60.01 1x2q n THR 71 Cb 0.55 -2.18 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 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 2.77 -0.23 0.20 3.42 2.47 -1.26 -5.03 114.94 117.27 1x2q s ASN 72 Ca 0.50 -0.02 -0.11 0.00 0.42 0.00 0.00 52.86 53.65 1x2q s ASN 72 Cb 0.16 0.86 0.21 0.00 -1.45 0.00 0.00 41.25 41.03 1x2q s ASN 72 CO -0.03 -0.04 1.77 -0.07 -3.72 0.00 0.00 177.10 175.01 1x2q h LEU 73 N 6.51 0.32 -7.16 3.21 3.38 -1.85 -3.42 115.31 116.31 1x2q h LEU 73 Ca -0.08 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1x2q h LEU 73 Cb 1.20 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.72 1x2q h LEU 73 CO -0.12 0.21 -0.07 0.20 0.09 0.00 0.00 178.44 178.75 1x2q s ASN 74 N -5.46 -0.60 -0.39 -0.43 -0.87 -1.26 -4.85 114.94 101.08 1x2q s ASN 74 Ca -0.13 1.13 -0.27 0.00 -1.57 0.00 0.00 52.86 52.02 1x2q s ASN 74 Cb 0.15 1.13 -0.07 0.00 -0.02 0.00 0.00 41.25 42.45 1x2q s ASN 74 CO 0.74 -0.20 2.35 -0.38 -2.57 0.00 0.00 177.10 177.04 1x2q n ILE 75 N 3.01 0.08 -3.91 0.60 5.41 -1.26 -4.90 119.36 118.38 1x2q n ILE 75 Ca -0.15 -0.65 -0.34 0.00 1.00 0.00 0.00 62.75 62.61 1x2q n ILE 75 Cb 0.56 -2.65 -0.13 0.00 -0.71 0.00 0.00 39.64 36.71 1x2q n ILE 75 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1x2q s GLU 76 N 7.53 2.03 -0.35 0.38 2.56 -1.26 -5.07 118.70 124.54 1x2q s GLU 76 Ca 1.00 -1.60 -0.06 0.00 0.00 0.00 0.00 54.97 54.31 1x2q s GLU 76 Cb -0.27 -3.28 0.05 0.00 2.00 0.00 0.00 34.13 32.63 1x2q s GLU 76 CO 0.31 -0.84 0.11 0.99 -0.56 0.00 0.00 175.26 175.27 1x2q s THR 77 N 1.11 3.69 0.71 -1.70 2.01 -1.26 -5.09 115.64 115.11 1x2q s THR 77 Ca 0.03 -1.25 -0.15 0.00 0.31 0.00 0.00 61.69 60.63 1x2q s THR 77 Cb -0.21 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.19 1x2q s THR 77 CO -0.04 -0.23 1.16 -0.70 -0.69 0.00 0.00 174.62 174.11 1x2q s GLU 78 N 1.37 2.38 -0.33 4.92 2.12 -1.26 -5.03 118.70 122.87 1x2q s GLU 78 Ca -0.01 1.58 0.01 0.00 0.36 0.00 0.00 54.97 56.91 1x2q s GLU 78 Cb -0.20 -1.88 0.19 0.00 0.26 0.00 0.00 34.13 32.50 1x2q s GLU 78 CO 0.02 -1.61 0.75 0.00 -0.54 0.00 0.00 175.26 173.87 1x2q s ALA 79 N -2.18 -2.98 -0.07 6.30 0.00 -1.26 -5.15 121.76 116.42 1x2q s ALA 79 Ca 0.70 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1x2q s ALA 79 Cb -0.25 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 1x2q s ALA 79 CO 0.44 -2.08 -0.16 0.00 0.00 0.00 0.00 175.76 173.97 1x2q s ALA 80 N 2.47 2.57 -0.18 0.00 0.00 -1.26 -5.11 121.76 120.24 1x2q s ALA 80 Ca 0.16 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1x2q s ALA 80 Cb -0.05 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1x2q s ALA 80 CO -0.19 0.45 0.02 0.00 0.00 0.00 0.00 175.76 176.04 1x2q s ALA 81 N -0.33 3.17 -0.03 0.00 0.00 -1.26 -5.09 121.76 118.22 1x2q s ALA 81 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1x2q s ALA 81 Cb -0.13 -1.78 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 1x2q s ALA 81 CO 0.02 0.07 -0.12 0.54 0.00 0.00 0.00 175.76 176.27 1x2q s VAL 82 N 0.60 0.99 1.20 0.00 0.11 -1.26 -5.14 120.40 116.90 1x2q s VAL 82 Ca 0.00 -0.48 -0.14 0.00 -2.93 0.00 0.00 61.98 58.43 1x2q s VAL 82 Cb -0.14 -0.86 0.29 0.00 -1.53 0.00 0.00 36.38 34.15 1x2q s VAL 82 CO 0.02 0.29 1.02 -0.55 -3.33 0.00 0.00 175.10 172.55 1x2q s SER 83 N 0.07 0.75 1.19 3.54 0.15 -1.26 -5.01 113.70 113.13 1x2q s SER 83 Ca -0.02 1.33 -0.13 0.00 0.70 0.00 0.00 55.95 57.82 1x2q s SER 83 Cb -0.09 -2.05 0.20 0.00 -1.71 0.00 0.00 66.02 62.38 1x2q s SER 83 CO 0.01 -4.31 0.65 0.61 1.20 0.00 0.00 173.24 171.39 1x2q n GLY 84 N 0.63 -2.92 3.78 9.45 0.00 -1.26 -5.03 105.19 109.84 1x2q n GLY 84 Ca 0.04 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 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 -4.49 0.30 -0.28 1.61 0.04 -1.26 -5.08 135.00 125.84 1x2q s PRO 85 Ca 0.43 -0.03 0.01 0.00 0.04 0.00 0.00 61.00 61.45 1x2q s PRO 85 Cb -0.05 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.89 1x2q s PRO 85 CO 0.34 -2.70 0.50 0.45 0.04 0.00 0.00 177.00 175.63 1x2q s SER 86 N -4.26 -0.64 0.21 6.66 0.15 -1.26 -5.13 113.70 109.43 1x2q s SER 86 Ca 0.69 0.28 -0.32 0.00 0.70 0.00 0.00 55.95 57.30 1x2q s SER 86 Cb -0.10 1.64 -0.14 0.00 -1.71 0.00 0.00 66.02 65.71 1x2q s SER 86 CO 0.54 -0.30 1.33 -1.54 1.20 0.00 0.00 173.24 174.47 1x2q n SER 87 N 5.39 2.28 0.00 5.45 3.41 -1.26 -5.33 113.62 123.57 1x2q n SER 87 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1x2q n SER 87 Cb 0.51 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49