#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiw s VAL 2 N 0.00 4.60 0.03 6.31 1.01 -1.26 -3.95 120.40 127.13 1xiw s VAL 2 Ca 0.00 1.91 -0.16 0.00 0.00 0.00 0.00 61.98 63.73 1xiw s VAL 2 Cb 0.00 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1xiw s VAL 2 CO 0.00 -0.11 0.34 -1.10 0.00 0.00 0.00 175.10 174.24 1xiw s GLN 3 N 2.86 0.81 -0.17 2.72 -0.21 -0.83 -5.02 119.66 119.82 1xiw s GLN 3 Ca 0.48 -0.37 0.01 0.00 0.02 0.00 0.00 55.36 55.50 1xiw s GLN 3 Cb -0.18 0.36 0.02 0.00 1.00 0.00 0.00 33.01 34.21 1xiw s GLN 3 CO 0.12 -0.26 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.34 1xiw s LEU 4 N -1.84 1.99 -0.28 2.90 1.43 -1.26 -1.46 118.68 120.16 1xiw s LEU 4 Ca -0.07 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1xiw s LEU 4 Cb -0.02 -1.38 0.03 0.00 0.03 0.00 0.00 46.19 44.84 1xiw s LEU 4 CO -0.01 -0.02 0.01 -1.58 0.23 0.00 0.00 176.35 174.99 1xiw s GLN 5 N 1.34 2.80 0.30 1.70 2.00 0.19 -3.95 119.66 124.04 1xiw s GLN 5 Ca 0.05 -1.03 -0.03 0.00 -2.00 0.00 0.00 55.36 52.35 1xiw s GLN 5 Cb -0.13 -3.19 -0.04 0.00 0.80 0.00 0.00 33.01 30.45 1xiw s GLN 5 CO -0.12 -0.49 0.54 -0.65 -0.50 0.00 0.00 175.29 174.07 1xiw s GLN 6 N 1.37 3.57 0.95 1.67 -0.21 -1.26 -0.54 119.66 125.21 1xiw s GLN 6 Ca -0.01 -0.13 -0.12 0.00 0.02 0.00 0.00 55.36 55.13 1xiw s GLN 6 Cb -0.18 -2.67 0.16 0.00 1.00 0.00 0.00 33.01 31.33 1xiw s GLN 6 CO -0.01 0.20 1.09 -1.54 -2.12 0.00 0.00 175.29 172.91 1xiw s SER 7 N -3.45 2.92 1.10 5.90 1.04 -0.63 -4.98 113.70 115.61 1xiw s SER 7 Ca 0.42 1.59 -0.17 0.00 0.48 0.00 0.00 55.95 58.27 1xiw s SER 7 Cb -0.10 -2.25 0.24 0.00 0.10 0.00 0.00 66.02 64.01 1xiw s SER 7 CO 0.32 -3.00 1.14 -0.83 0.98 0.00 0.00 173.24 171.85 1xiw s GLY 8 N -3.15 1.61 0.63 7.32 0.00 -1.26 -4.67 107.32 107.81 1xiw s GLY 8 Ca 0.65 -0.86 -0.19 0.00 0.00 0.00 0.00 44.72 44.32 1xiw s GLY 8 CO 0.58 -0.07 1.31 2.56 0.00 0.00 0.00 173.10 177.48 1xiw s PRO 9 N -5.40 2.66 -0.00 2.90 0.04 -1.26 -4.73 135.00 129.21 1xiw s PRO 9 Ca 0.70 2.09 0.03 0.00 0.04 0.00 0.00 61.00 63.86 1xiw s PRO 9 Cb -0.11 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1xiw s PRO 9 CO 0.55 -1.53 -0.10 -1.21 0.04 0.00 0.00 177.00 174.76 1xiw s GLU 10 N -3.30 0.80 -0.10 4.56 0.41 -0.39 -4.99 118.70 115.68 1xiw s GLU 10 Ca 0.81 -0.40 0.03 0.00 -0.41 0.00 0.00 54.97 55.00 1xiw s GLU 10 Cb -0.38 -0.77 0.00 0.00 -1.78 0.00 0.00 34.13 31.20 1xiw s GLU 10 CO 0.41 0.21 -0.22 -0.51 -0.49 0.00 0.00 175.26 174.65 1xiw s LEU 11 N -0.37 2.04 0.07 1.80 1.43 -1.26 -1.74 118.68 120.65 1xiw s LEU 11 Ca 0.03 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 1xiw s LEU 11 Cb -0.04 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 1xiw s LEU 11 CO -0.00 0.13 0.15 0.68 0.23 0.00 0.00 176.35 177.54 1xiw s VAL 12 N 0.48 0.14 0.44 -1.59 -7.23 -0.68 -4.99 120.40 106.97 1xiw s VAL 12 Ca -0.16 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1xiw s VAL 12 Cb -0.17 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 1xiw s VAL 12 CO 0.06 -0.65 0.71 -0.54 -0.31 0.00 0.00 175.10 174.36 1xiw s LYS 13 N -3.44 3.47 0.47 4.82 1.02 -1.25 -1.77 119.74 123.05 1xiw s LYS 13 Ca 0.02 -0.03 -0.24 0.00 0.02 0.00 0.00 55.97 55.74 1xiw s LYS 13 Cb 0.03 -2.48 -0.07 0.00 -0.52 0.00 0.00 37.83 34.79 1xiw s LYS 13 CO -0.09 -0.11 1.39 -2.14 -0.92 0.00 0.00 175.35 173.48 1xiw s PRO 14 N -4.60 3.56 0.00 -1.68 0.02 -1.26 -2.35 135.00 128.68 1xiw s PRO 14 Ca 0.45 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1xiw s PRO 14 Cb -0.10 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.87 1xiw s PRO 14 CO 0.42 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 1xiw n GLY 15 N 0.62 2.21 3.94 0.52 0.00 0.16 -4.94 105.19 107.71 1xiw n GLY 15 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1xiw n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xiw s ALA 16 N -2.29 2.42 0.21 4.61 0.00 -0.99 -4.50 121.76 121.21 1xiw s ALA 16 Ca 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1xiw s ALA 16 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 1xiw s ALA 16 CO 0.00 -2.28 -0.11 -1.12 0.00 0.00 0.00 175.76 172.25 1xiw s SER 17 N -4.85 2.46 -0.22 0.00 0.01 -1.26 -1.70 113.70 108.14 1xiw s SER 17 Ca 0.72 -1.06 -0.15 0.00 1.31 0.00 0.00 55.95 56.77 1xiw s SER 17 Cb -0.04 -0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.13 1xiw s SER 17 CO 0.52 -0.25 0.55 -0.32 0.41 0.00 0.00 173.24 174.15 1xiw s MET 18 N -3.69 0.59 -0.17 12.44 0.00 -0.61 -4.98 119.30 122.88 1xiw s MET 18 Ca 0.23 0.91 -0.03 0.00 0.00 0.00 0.00 55.69 56.81 1xiw s MET 18 Cb 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 34.83 34.99 1xiw s MET 18 CO 0.07 -0.12 -0.07 0.21 0.00 0.00 0.00 175.02 175.11 1xiw s LYS 19 N 1.02 3.47 0.22 4.11 2.20 -1.26 0.34 119.74 129.83 1xiw s LYS 19 Ca -0.06 -0.61 0.09 0.00 -0.36 0.00 0.00 55.97 55.03 1xiw s LYS 19 Cb -0.06 -2.86 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1xiw s LYS 19 CO -0.09 0.06 -0.01 0.96 -0.36 0.00 0.00 175.35 175.91 1xiw s ILE 20 N 0.79 3.53 0.29 5.43 -4.36 -0.05 -4.95 121.20 121.88 1xiw s ILE 20 Ca -0.03 -1.70 0.06 0.00 -0.26 0.00 0.00 60.65 58.72 1xiw s ILE 20 Cb -0.15 -2.83 -0.06 0.00 1.25 0.00 0.00 42.46 40.67 1xiw s ILE 20 CO 0.02 -0.25 -0.04 -0.94 0.24 0.00 0.00 174.94 173.97 1xiw s SER 21 N -3.32 2.74 -0.19 4.36 1.04 -1.26 -1.54 113.70 115.53 1xiw s SER 21 Ca 0.29 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 55.45 1xiw s SER 21 Cb -0.08 -0.16 0.09 0.00 0.10 0.00 0.00 66.02 65.97 1xiw s SER 21 CO 0.19 -0.39 0.29 0.00 0.98 0.00 0.00 173.24 174.31 1xiw s LYS 23 N 2.44 4.04 -0.06 0.00 2.47 0.30 -0.25 119.74 128.68 1xiw s LYS 23 Ca 0.06 -0.23 -0.13 0.00 -1.56 0.00 0.00 55.97 54.10 1xiw s LYS 23 Cb -0.14 -3.58 -0.05 0.00 -1.46 0.00 0.00 37.83 32.59 1xiw s LYS 23 CO -0.12 -0.04 0.33 0.00 0.16 0.00 0.00 175.35 175.68 1xiw s ALA 24 N 1.36 3.71 0.05 3.13 0.00 -0.48 -0.64 121.76 128.89 1xiw s ALA 24 Ca 0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 1xiw s ALA 24 Cb -0.14 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 1xiw s ALA 24 CO 0.07 0.43 0.07 -1.54 0.00 0.00 0.00 175.76 174.80 1xiw s SER 25 N -0.76 0.27 0.00 0.00 1.04 -0.54 -4.88 113.70 108.83 1xiw s SER 25 Ca 0.21 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1xiw s SER 25 Cb -0.15 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1xiw s SER 25 CO 0.10 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1xiw n GLY 26 N 0.39 0.80 3.61 7.32 0.00 -1.25 -1.97 105.19 114.08 1xiw n GLY 26 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1xiw n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xiw s TYR 27 N -3.15 -0.38 -0.41 1.61 -0.85 -1.26 -4.55 117.35 108.37 1xiw s TYR 27 Ca 0.00 0.07 -0.29 0.00 -0.52 0.00 0.00 57.07 56.33 1xiw s TYR 27 Cb 0.00 0.62 0.01 0.00 0.38 0.00 0.00 41.96 42.97 1xiw s TYR 27 CO 0.00 -0.99 1.32 0.45 -1.52 0.00 0.00 175.55 174.81 1xiw s SER 28 N -2.81 6.48 0.23 -0.18 0.15 -1.26 -4.91 113.70 111.40 1xiw s SER 28 Ca 0.06 0.82 -0.07 0.00 0.70 0.00 0.00 55.95 57.45 1xiw s SER 28 Cb -0.03 -2.54 0.39 0.00 -1.71 0.00 0.00 66.02 62.12 1xiw s SER 28 CO -0.04 -1.32 1.68 0.15 1.20 0.00 0.00 173.24 174.91 1xiw h PHE 29 N 10.04 0.17 0.00 3.44 3.57 -1.95 -1.14 116.94 131.07 1xiw h PHE 29 Ca -0.26 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1xiw h PHE 29 Cb 1.09 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1xiw h PHE 29 CO 0.95 -0.10 0.00 0.25 -2.23 0.00 0.00 178.31 177.18 1xiw n THR 30 N -5.19 0.00 -0.08 4.41 -2.24 -1.26 -3.43 114.28 106.50 1xiw n THR 30 Ca 0.12 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1xiw n THR 30 Cb 0.41 -0.52 0.29 0.00 -2.10 0.00 0.00 70.33 68.41 1xiw n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xiw n GLY 31 N 0.85 2.09 3.20 3.38 0.00 -0.43 -4.41 105.19 109.86 1xiw n GLY 31 Ca 0.22 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1xiw n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xiw s TYR 32 N -1.15 0.15 0.22 1.61 2.02 -1.22 -4.00 117.35 114.98 1xiw s TYR 32 Ca 0.44 -0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 56.42 1xiw s TYR 32 Cb 0.23 -0.07 -0.08 0.00 -0.40 0.00 0.00 41.96 41.64 1xiw s TYR 32 CO 0.31 -0.52 0.66 0.99 -1.57 0.00 0.00 175.55 175.42 1xiw s THR 33 N -3.68 4.71 -0.09 -0.71 2.01 -0.09 -4.35 115.64 113.44 1xiw s THR 33 Ca 0.04 1.00 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1xiw s THR 33 Cb 0.04 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1xiw s THR 33 CO -0.10 0.10 -0.09 -0.04 -0.69 0.00 0.00 174.62 173.80 1xiw s MET 34 N -2.27 2.99 0.19 4.92 -1.94 -0.88 -1.38 119.30 120.93 1xiw s MET 34 Ca 0.44 -0.60 0.07 0.00 -1.71 0.00 0.00 55.69 53.89 1xiw s MET 34 Cb -0.14 -2.61 -0.05 0.00 2.01 0.00 0.00 34.83 34.04 1xiw s MET 34 CO 0.20 0.49 -0.14 -0.80 -0.01 0.00 0.00 175.02 174.76 1xiw s ASN 35 N -0.35 2.45 -0.04 3.03 0.01 0.61 -1.14 114.94 119.50 1xiw s ASN 35 Ca 0.04 -1.00 0.04 0.00 -0.71 0.00 0.00 52.86 51.24 1xiw s ASN 35 Cb -0.12 -0.12 -0.00 0.00 0.41 0.00 0.00 41.25 41.42 1xiw s ASN 35 CO 0.02 -0.18 -0.16 0.26 -1.51 0.00 0.00 177.10 175.53 1xiw s TRP 36 N -2.93 1.58 -0.02 2.20 0.52 -0.75 -0.57 118.94 118.97 1xiw s TRP 36 Ca 0.21 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.92 1xiw s TRP 36 Cb -0.01 -1.07 -0.01 0.00 -1.15 0.00 0.00 33.47 31.24 1xiw s TRP 36 CO 0.06 -0.15 -0.14 0.08 0.02 0.00 0.00 176.95 176.81 1xiw s VAL 37 N 0.06 1.15 -0.12 4.03 1.01 0.51 -0.53 120.40 126.52 1xiw s VAL 37 Ca -0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1xiw s VAL 37 Cb -0.11 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1xiw s VAL 37 CO 0.02 0.33 0.02 -0.75 0.00 0.00 0.00 175.10 174.72 1xiw s LYS 38 N -0.09 3.34 -0.20 2.72 2.20 0.64 -0.05 119.74 128.29 1xiw s LYS 38 Ca 0.01 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.23 1xiw s LYS 38 Cb -0.08 -2.93 0.05 0.00 -1.51 0.00 0.00 37.83 33.36 1xiw s LYS 38 CO 0.01 0.54 -0.08 -1.14 -0.36 0.00 0.00 175.35 174.32 1xiw s GLN 39 N -0.43 1.84 0.12 4.03 0.74 0.72 -0.83 119.66 125.85 1xiw s GLN 39 Ca 0.08 -0.83 0.07 0.00 0.05 0.00 0.00 55.36 54.74 1xiw s GLN 39 Cb -0.12 -2.39 -0.04 0.00 1.10 0.00 0.00 33.01 31.56 1xiw s GLN 39 CO 0.02 -0.47 -0.09 -1.54 -0.55 0.00 0.00 175.29 172.66 1xiw s SER 40 N 1.43 4.41 -1.63 6.67 1.04 -0.95 -0.94 113.70 123.74 1xiw s SER 40 Ca -0.02 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1xiw s SER 40 Cb -0.17 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.12 1xiw s SER 40 CO -0.08 0.16 0.00 1.41 0.98 0.00 0.00 173.24 175.71 1xiw n HIS 41 N 0.55 -0.07 -2.28 5.02 8.25 -1.26 -2.57 115.22 122.85 1xiw n HIS 41 Ca -0.13 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.12 1xiw n HIS 41 Cb 0.53 -2.78 -0.02 0.00 1.12 0.00 0.00 29.99 28.84 1xiw n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xiw n GLY 42 N -1.06 -0.13 2.04 -1.41 0.00 -1.26 -4.73 105.19 98.64 1xiw n GLY 42 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1xiw n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xiw n LYS 43 N -2.92 0.00 -1.64 1.61 2.85 -1.06 -5.11 118.16 111.88 1xiw n LYS 43 Ca -0.24 0.00 -0.46 0.00 -1.05 0.00 0.00 58.31 56.55 1xiw n LYS 43 Cb 0.69 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.03 1xiw n LYS 43 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1xiw n ASN 44 N -2.76 3.46 -4.76 -5.58 5.03 -1.11 -4.83 115.26 104.71 1xiw n ASN 44 Ca 0.00 0.77 -0.36 0.00 0.87 0.00 0.00 54.58 55.86 1xiw n ASN 44 Cb 0.00 -1.43 -0.08 0.00 -1.02 0.00 0.00 39.78 37.25 1xiw n ASN 44 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xiw s LEU 45 N 5.24 4.04 -0.03 3.41 1.43 -1.26 -2.24 118.68 129.28 1xiw s LEU 45 Ca 0.95 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.34 1xiw s LEU 45 Cb -0.59 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1xiw s LEU 45 CO 0.46 0.33 -0.01 -1.61 0.23 0.00 0.00 176.35 175.75 1xiw s GLU 46 N -0.59 0.45 -0.14 1.70 2.02 -0.01 -4.97 118.70 117.17 1xiw s GLU 46 Ca 0.11 0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 1xiw s GLU 46 Cb -0.12 -0.56 -0.01 0.00 0.10 0.00 0.00 34.13 33.54 1xiw s GLU 46 CO 0.02 -0.10 1.01 -0.46 0.02 0.00 0.00 175.26 175.75 1xiw s TRP 47 N 0.91 3.47 -0.10 1.61 -0.00 -1.26 -0.26 118.94 123.31 1xiw s TRP 47 Ca -0.10 1.56 0.04 0.00 -0.00 0.00 0.00 56.10 57.60 1xiw s TRP 47 Cb -0.13 -3.21 -0.24 0.00 -0.00 0.00 0.00 33.47 29.89 1xiw s TRP 47 CO -0.01 -0.29 0.44 -1.33 -0.00 0.00 0.00 176.95 175.76 1xiw n MET 48 N 5.32 0.69 0.00 5.86 2.81 0.31 -4.67 117.12 127.45 1xiw n MET 48 Ca 0.09 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 1xiw n MET 48 Cb 0.48 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1xiw n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xiw n GLY 49 N 1.80 0.20 3.14 3.03 0.00 -1.23 -1.42 105.19 110.71 1xiw n GLY 49 Ca -0.26 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 1xiw n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xiw s LEU 50 N 0.00 2.50 -0.01 0.99 0.05 0.07 -1.81 118.68 120.46 1xiw s LEU 50 Ca 0.00 -1.00 -0.01 0.00 0.05 0.00 0.00 54.13 53.16 1xiw s LEU 50 Cb 0.00 0.04 0.01 0.00 -2.05 0.00 0.00 46.19 44.18 1xiw s LEU 50 CO 0.00 -0.52 0.04 -0.51 -0.55 0.00 0.00 176.35 174.81 1xiw s ILE 51 N -3.74 -0.00 -0.51 1.48 2.07 -0.29 -1.17 121.20 119.03 1xiw s ILE 51 Ca 0.10 0.01 -0.24 0.00 -1.41 0.00 0.00 60.65 59.11 1xiw s ILE 51 Cb 0.06 -0.06 0.04 0.00 0.13 0.00 0.00 42.46 42.63 1xiw s ILE 51 CO -0.07 0.00 0.88 0.21 -1.91 0.00 0.00 174.94 174.05 1xiw s ASN 52 N 0.08 6.37 0.43 4.50 3.84 -0.29 -2.07 114.94 127.79 1xiw s ASN 52 Ca -0.00 -0.27 0.10 0.00 0.21 0.00 0.00 52.86 52.89 1xiw s ASN 52 Cb -0.01 -2.42 0.93 0.00 -0.55 0.00 0.00 41.25 39.21 1xiw s ASN 52 CO -0.00 -1.10 2.05 -0.65 -2.79 0.00 0.00 177.10 174.60 1xiw h PRO 53 N 9.18 0.35 -0.35 0.43 0.11 -1.87 0.69 132.00 140.54 1xiw h PRO 53 Ca -0.26 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.69 1xiw h PRO 53 Cb 1.08 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1xiw h PRO 53 CO 1.04 0.28 -0.30 -0.92 -0.21 0.00 0.00 178.00 177.89 1xiw h TYR 54 N 0.35 0.98 0.00 0.65 3.20 -1.88 -3.33 116.97 116.95 1xiw h TYR 54 Ca 0.09 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1xiw h TYR 54 Cb 0.05 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.11 1xiw h TYR 54 CO 0.00 1.06 -1.51 1.63 -1.64 0.00 0.00 178.16 177.71 1xiw n LYS 55 N -4.18 0.59 -1.80 1.82 4.76 -1.10 -5.00 118.16 113.25 1xiw n LYS 55 Ca -0.03 -0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.19 1xiw n LYS 55 Cb 0.49 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 1xiw n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xiw n GLY 56 N 1.40 0.53 3.63 0.72 0.00 0.24 -5.01 105.19 106.70 1xiw n GLY 56 Ca -0.01 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1xiw n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xiw s VAL 57 N -2.49 4.69 0.17 1.61 1.01 -1.20 -4.90 120.40 119.29 1xiw s VAL 57 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1xiw s VAL 57 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1xiw s VAL 57 CO 0.00 0.48 -0.06 -0.44 0.00 0.00 0.00 175.10 175.08 1xiw s SER 58 N 0.24 4.46 -0.07 3.32 0.01 -1.26 -1.14 113.70 119.26 1xiw s SER 58 Ca 0.03 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1xiw s SER 58 Cb -0.12 -0.84 0.03 0.00 0.21 0.00 0.00 66.02 65.29 1xiw s SER 58 CO 0.01 0.10 -0.02 -0.89 0.41 0.00 0.00 173.24 172.85 1xiw s THR 59 N -1.68 0.49 0.20 1.44 2.01 -0.32 -5.00 115.64 112.78 1xiw s THR 59 Ca 0.26 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1xiw s THR 59 Cb -0.09 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1xiw s THR 59 CO 0.16 0.27 0.10 -0.31 -0.69 0.00 0.00 174.62 174.15 1xiw s TYR 60 N 1.71 3.01 -0.06 4.92 2.02 -1.26 -0.75 117.35 126.93 1xiw s TYR 60 Ca 0.01 -0.10 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 1xiw s TYR 60 Cb -0.13 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1xiw s TYR 60 CO -0.04 0.53 1.06 1.21 -1.57 0.00 0.00 175.55 176.74 1xiw s ASN 61 N -3.34 7.21 0.56 2.29 3.84 -0.51 -4.90 114.94 120.10 1xiw s ASN 61 Ca 0.31 1.65 0.32 0.00 0.21 0.00 0.00 52.86 55.35 1xiw s ASN 61 Cb -0.09 -2.56 1.47 0.00 -0.55 0.00 0.00 41.25 39.52 1xiw s ASN 61 CO 0.22 -0.45 1.83 0.06 -2.79 0.00 0.00 177.10 175.98 1xiw h GLN 62 N 7.10 0.00 0.00 0.43 -0.00 -1.95 0.13 115.11 120.82 1xiw h GLN 62 Ca -0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.27 1xiw h GLN 62 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.64 1xiw h GLN 62 CO 0.84 0.00 -0.19 -0.22 -0.00 0.00 0.00 178.83 179.26 1xiw h LYS 63 N 0.00 0.00 -0.04 0.06 3.64 -1.93 -3.19 116.57 115.12 1xiw h LYS 63 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1xiw h LYS 63 Cb 1.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1xiw h LYS 63 CO -0.00 0.19 0.00 1.19 -2.27 0.00 0.00 179.45 178.55 1xiw n PHE 64 N -3.60 0.04 -0.09 1.91 3.72 0.39 -4.69 117.46 115.14 1xiw n PHE 64 Ca -0.01 -0.10 0.05 0.00 -0.05 0.00 0.00 57.45 57.34 1xiw n PHE 64 Cb 0.32 -0.01 0.39 0.00 -0.94 0.00 0.00 39.48 39.25 1xiw n PHE 64 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xiw h LYS 65 N 0.94 0.63 0.00 -1.08 2.10 -1.37 -1.05 116.57 116.75 1xiw h LYS 65 Ca 0.00 -0.04 -0.14 0.00 -2.00 0.00 0.00 60.65 58.48 1xiw h LYS 65 Cb 0.28 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 1xiw h LYS 65 CO 0.00 0.42 -0.65 -0.44 -2.00 0.00 0.00 179.45 176.78 1xiw h ASP 66 N 0.65 0.00 1.01 7.07 3.32 -1.84 -3.34 116.42 123.30 1xiw h ASP 66 Ca 0.23 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 1xiw h ASP 66 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1xiw h ASP 66 CO -0.06 0.65 -1.05 0.50 -1.72 0.00 0.00 179.24 177.55 1xiw h LYS 67 N 0.00 0.00 -5.17 3.56 1.63 -1.59 -3.45 116.57 111.55 1xiw h LYS 67 Ca -0.01 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 59.42 1xiw h LYS 67 Cb 1.35 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.78 1xiw h LYS 67 CO 0.08 0.32 -0.76 0.00 -3.45 0.00 0.00 179.45 175.64 1xiw s ALA 68 N -2.99 1.12 -0.16 5.00 0.00 -0.50 -1.13 121.76 123.11 1xiw s ALA 68 Ca -0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 1xiw s ALA 68 Cb 0.08 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.20 1xiw s ALA 68 CO 0.79 0.09 -0.05 0.99 0.00 0.00 0.00 175.76 177.58 1xiw s THR 69 N -1.67 1.06 -0.04 0.00 2.01 -0.39 -4.81 115.64 111.81 1xiw s THR 69 Ca 0.00 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 1xiw s THR 69 Cb -0.08 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 1xiw s THR 69 CO 0.02 0.12 0.29 -0.76 -0.69 0.00 0.00 174.62 173.60 1xiw s LEU 70 N 1.65 4.43 0.22 4.42 1.43 -1.26 -1.14 118.68 128.43 1xiw s LEU 70 Ca 0.01 0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 53.75 1xiw s LEU 70 Cb -0.15 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 1xiw s LEU 70 CO -0.08 0.34 0.36 0.42 0.23 0.00 0.00 176.35 177.63 1xiw s THR 71 N -1.10 0.01 0.08 5.49 -4.23 -0.65 -4.94 115.64 110.30 1xiw s THR 71 Ca 0.21 -1.56 -0.06 0.00 -1.18 0.00 0.00 61.69 59.10 1xiw s THR 71 Cb -0.14 -2.23 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 1xiw s THR 71 CO 0.10 -0.04 0.13 0.68 -0.54 0.00 0.00 174.62 174.95 1xiw s VAL 72 N -4.05 0.16 -0.37 2.29 -7.23 -1.26 -0.50 120.40 109.44 1xiw s VAL 72 Ca 0.26 -1.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.10 1xiw s VAL 72 Cb 0.02 -1.38 0.11 0.00 0.56 0.00 0.00 36.38 35.69 1xiw s VAL 72 CO 0.09 -0.75 0.12 -0.62 -0.31 0.00 0.00 175.10 173.63 1xiw s ASP 73 N -2.86 4.26 0.25 4.85 -1.08 0.19 -4.97 116.67 117.32 1xiw s ASP 73 Ca 0.05 -2.15 -0.04 0.00 -0.52 0.00 0.00 52.55 49.89 1xiw s ASP 73 Cb 0.06 -1.25 0.35 0.00 -1.46 0.00 0.00 42.92 40.61 1xiw s ASP 73 CO -0.11 -0.36 1.87 0.11 0.52 0.00 0.00 175.17 177.21 1xiw h LYS 74 N 7.51 1.07 -0.11 4.34 1.57 -1.87 -1.51 116.57 127.56 1xiw h LYS 74 Ca -0.07 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1xiw h LYS 74 Cb 0.99 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1xiw h LYS 74 CO 0.51 0.71 0.08 0.66 -0.57 0.00 0.00 179.45 180.85 1xiw h SER 75 N 1.10 0.00 -0.17 0.86 4.64 -1.96 -2.53 113.55 115.49 1xiw h SER 75 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1xiw h SER 75 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1xiw h SER 75 CO -0.16 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.26 1xiw n SER 76 N -4.41 2.34 -3.79 4.97 3.41 -0.95 -4.99 113.62 110.20 1xiw n SER 76 Ca -0.00 -1.75 -0.27 0.00 -0.26 0.00 0.00 58.87 56.58 1xiw n SER 76 Cb 0.20 -0.11 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1xiw n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xiw n SER 77 N 0.38 -5.00 -4.28 4.04 7.64 -0.61 -4.80 113.62 110.99 1xiw n SER 77 Ca 0.08 -0.70 -0.32 0.00 1.01 0.00 0.00 58.87 58.94 1xiw n SER 77 Cb 0.32 -4.30 -0.16 0.00 -1.01 0.00 0.00 64.21 59.06 1xiw n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xiw s THR 78 N -3.33 2.13 -0.03 0.44 2.01 -1.02 -1.38 115.64 114.45 1xiw s THR 78 Ca 0.58 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1xiw s THR 78 Cb -0.28 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1xiw s THR 78 CO 0.79 0.57 -0.03 0.00 -0.69 0.00 0.00 174.62 175.26 1xiw s ALA 79 N -0.18 3.14 0.06 7.40 0.00 0.65 -0.64 121.76 132.19 1xiw s ALA 79 Ca -0.03 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1xiw s ALA 79 Cb -0.14 -1.29 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1xiw s ALA 79 CO 0.03 0.61 -0.19 0.71 0.00 0.00 0.00 175.76 176.92 1xiw s TYR 80 N -0.96 1.68 -0.11 0.00 2.02 0.34 -0.72 117.35 119.59 1xiw s TYR 80 Ca 0.16 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 1xiw s TYR 80 Cb -0.11 -0.97 0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1xiw s TYR 80 CO 0.06 0.11 -0.02 1.41 -1.57 0.00 0.00 175.55 175.54 1xiw s MET 81 N -1.42 0.99 -0.20 -0.62 -2.45 -0.59 -1.64 119.30 113.38 1xiw s MET 81 Ca 0.06 -0.16 -0.13 0.00 -1.25 0.00 0.00 55.69 54.21 1xiw s MET 81 Cb -0.09 -1.45 -0.05 0.00 1.25 0.00 0.00 34.83 34.49 1xiw s MET 81 CO 0.02 -0.36 0.25 -2.00 1.05 0.00 0.00 175.02 173.98 1xiw s GLU 82 N 1.83 4.18 -0.21 4.11 2.12 -0.29 -0.87 118.70 129.58 1xiw s GLU 82 Ca 0.04 -0.04 -0.08 0.00 0.36 0.00 0.00 54.97 55.24 1xiw s GLU 82 Cb -0.13 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1xiw s GLU 82 CO -0.07 0.15 0.09 -0.51 -0.54 0.00 0.00 175.26 174.38 1xiw s LEU 83 N 0.77 3.79 0.25 2.70 1.43 0.15 -1.26 118.68 126.52 1xiw s LEU 83 Ca 0.13 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 1xiw s LEU 83 Cb -0.13 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1xiw s LEU 83 CO 0.04 0.10 0.21 -0.76 0.23 0.00 0.00 176.35 176.16 1xiw s LEU 84 N 0.83 3.85 -0.95 1.79 1.43 -0.28 -1.57 118.68 123.78 1xiw s LEU 84 Ca 0.05 -0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 1xiw s LEU 84 Cb -0.13 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.75 1xiw s LEU 84 CO 0.02 -0.04 0.51 -1.20 0.23 0.00 0.00 176.35 175.88 1xiw n SER 85 N -1.19 -3.06 -4.77 2.29 7.64 -1.23 -4.81 113.62 108.48 1xiw n SER 85 Ca -0.08 -1.02 -0.41 0.00 1.01 0.00 0.00 58.87 58.38 1xiw n SER 85 Cb 0.58 -1.22 -0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1xiw n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xiw s LEU 86 N -6.94 4.31 0.25 -3.43 1.43 -0.69 -4.66 118.68 108.95 1xiw s LEU 86 Ca 0.38 2.90 0.03 0.00 -1.03 0.00 0.00 54.13 56.40 1xiw s LEU 86 Cb -0.21 -3.72 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 1xiw s LEU 86 CO 0.76 -0.82 0.04 0.42 0.23 0.00 0.00 176.35 176.97 1xiw s THR 87 N -1.15 0.87 0.57 5.49 -4.23 -1.26 0.41 115.64 116.34 1xiw s THR 87 Ca 0.53 -2.01 0.26 0.00 -1.18 0.00 0.00 61.69 59.29 1xiw s THR 87 Cb -0.43 -2.47 0.35 0.00 1.34 0.00 0.00 72.50 71.28 1xiw s THR 87 CO 0.58 -0.20 2.15 0.77 -0.54 0.00 0.00 174.62 177.38 1xiw h SER 88 N 2.42 0.00 0.36 3.99 4.64 -1.97 0.11 113.55 123.10 1xiw h SER 88 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1xiw h SER 88 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1xiw h SER 88 CO 0.64 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.98 1xiw n GLU 89 N -4.00 0.09 0.00 4.77 -0.58 -1.26 -1.18 120.64 118.47 1xiw n GLU 89 Ca -0.00 0.43 0.13 0.00 -0.42 0.00 0.00 57.16 57.30 1xiw n GLU 89 Cb 0.23 -1.70 0.38 0.00 -0.57 0.00 0.00 31.44 29.77 1xiw n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1xiw n ASP 90 N -1.87 1.48 -4.69 1.62 8.00 0.03 -4.86 116.55 116.26 1xiw n ASP 90 Ca 0.01 -1.29 -0.42 0.00 0.71 0.00 0.00 54.79 53.80 1xiw n ASP 90 Cb 0.13 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1xiw n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xiw s SER 91 N -2.26 6.79 -0.07 -2.24 0.01 -0.33 -4.86 113.70 110.74 1xiw s SER 91 Ca 0.30 2.19 -0.24 0.00 1.31 0.00 0.00 55.95 59.51 1xiw s SER 91 Cb 0.20 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1xiw s SER 91 CO 0.43 -0.77 1.07 0.00 0.41 0.00 0.00 173.24 174.38 1xiw n ALA 92 N 5.55 -3.06 -2.92 1.44 0.00 -0.45 -4.77 120.51 116.31 1xiw n ALA 92 Ca 0.14 -0.57 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 1xiw n ALA 92 Cb 0.43 0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 1xiw n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xiw s VAL 93 N -2.01 4.27 -0.13 0.00 1.01 -0.12 -0.97 120.40 122.46 1xiw s VAL 93 Ca 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1xiw s VAL 93 Cb -0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1xiw s VAL 93 CO -0.02 0.47 -0.08 -0.31 0.00 0.00 0.00 175.10 175.16 1xiw s TYR 94 N 0.48 2.93 0.01 5.22 2.02 -0.12 -0.20 117.35 127.68 1xiw s TYR 94 Ca -0.00 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 1xiw s TYR 94 Cb -0.14 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 1xiw s TYR 94 CO 0.02 -0.02 -0.15 0.71 -1.57 0.00 0.00 175.55 174.54 1xiw s TYR 95 N 0.12 2.66 -0.03 2.71 2.02 0.93 -0.93 117.35 124.83 1xiw s TYR 95 Ca -0.03 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1xiw s TYR 95 Cb -0.14 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 1xiw s TYR 95 CO 0.04 0.25 0.11 0.00 -1.57 0.00 0.00 175.55 174.38 1xiw s ALA 97 N -1.17 -0.53 0.29 0.00 0.00 0.27 -0.93 121.76 119.69 1xiw s ALA 97 Ca 0.22 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 1xiw s ALA 97 Cb -0.12 -0.42 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 1xiw s ALA 97 CO 0.13 -0.12 0.77 0.50 0.00 0.00 0.00 175.76 177.03 1xiw s ARG 98 N 0.39 4.19 0.24 0.00 3.52 0.63 -0.28 118.95 127.63 1xiw s ARG 98 Ca -0.02 0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 56.42 1xiw s ARG 98 Cb -0.04 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.68 1xiw s ARG 98 CO -0.02 0.25 0.22 -1.54 -0.81 0.00 0.00 175.30 173.41 1xiw s SER 99 N -1.93 0.41 0.80 -2.12 1.04 -0.48 -1.45 113.70 109.96 1xiw s SER 99 Ca 0.50 -1.39 -0.14 0.00 0.48 0.00 0.00 55.95 55.40 1xiw s SER 99 Cb -0.14 0.45 0.08 0.00 0.10 0.00 0.00 66.02 66.51 1xiw s SER 99 CO 0.19 -0.94 1.21 -0.83 0.98 0.00 0.00 173.24 173.85 1xiw s GLY 100 N -3.18 2.20 0.14 7.32 0.00 -0.12 -0.91 107.32 112.77 1xiw s GLY 100 Ca 0.37 0.86 -0.11 0.00 0.00 0.00 0.00 44.72 45.84 1xiw s GLY 100 CO 0.15 1.29 1.46 -1.82 0.00 0.00 0.00 173.10 174.18 1xiw h TYR 101 N -0.80 1.10 -1.52 1.90 3.20 -1.86 -3.24 116.97 115.74 1xiw h TYR 101 Ca -0.47 -0.33 -0.43 0.00 3.14 0.00 0.00 58.73 60.64 1xiw h TYR 101 Cb 1.30 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 39.35 1xiw h TYR 101 CO 0.46 1.16 -0.29 0.71 -1.64 0.00 0.00 178.16 178.56 1xiw s TYR 102 N -4.38 2.85 -0.74 -3.82 2.02 -1.26 -4.77 117.35 107.25 1xiw s TYR 102 Ca -0.11 -0.38 0.10 0.00 -0.37 0.00 0.00 57.07 56.31 1xiw s TYR 102 Cb 0.11 -2.27 0.51 0.00 -0.40 0.00 0.00 41.96 39.90 1xiw s TYR 102 CO 0.88 -0.30 1.32 0.41 -1.57 0.00 0.00 175.55 176.29 1xiw n GLY 103 N -1.76 -0.75 0.10 0.71 0.00 -1.26 -1.06 105.19 101.16 1xiw n GLY 103 Ca 0.06 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1xiw n GLY 103 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xiw n ASP 104 N -1.77 0.71 -0.15 1.61 5.75 -1.26 -4.30 116.55 117.14 1xiw n ASP 104 Ca 0.00 0.59 0.00 0.00 -0.01 0.00 0.00 54.79 55.37 1xiw n ASP 104 Cb 0.06 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 1xiw n ASP 104 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xiw n SER 105 N -2.19 0.00 0.00 -1.12 3.41 -0.66 -4.90 113.62 108.16 1xiw n SER 105 Ca 0.05 -1.13 0.13 0.00 -0.26 0.00 0.00 58.87 57.66 1xiw n SER 105 Cb 0.38 -0.03 0.63 0.00 -0.26 0.00 0.00 64.21 64.93 1xiw n SER 105 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xiw n ASP 106 N 0.00 0.00 -1.21 4.04 5.75 -0.22 -0.94 116.55 123.96 1xiw n ASP 106 Ca 0.00 0.04 0.11 0.00 -0.01 0.00 0.00 54.79 54.93 1xiw n ASP 106 Cb 0.53 -0.33 0.29 0.00 -1.03 0.00 0.00 41.12 40.57 1xiw n ASP 106 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1xiw n TRP 107 N -1.33 0.85 -4.02 2.11 4.27 -1.26 -4.55 117.44 113.50 1xiw n TRP 107 Ca 0.11 -0.42 -0.14 0.00 -3.89 0.00 0.00 57.50 53.16 1xiw n TRP 107 Cb 0.23 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.04 1xiw n TRP 107 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 1xiw s TYR 108 N -1.15 0.27 -0.44 -2.67 -0.85 -1.25 -5.13 117.35 106.13 1xiw s TYR 108 Ca 0.44 -0.11 -0.16 0.00 -0.52 0.00 0.00 57.07 56.73 1xiw s TYR 108 Cb 0.23 -0.18 0.04 0.00 0.38 0.00 0.00 41.96 42.44 1xiw s TYR 108 CO 0.30 -0.02 0.36 -0.06 -1.52 0.00 0.00 175.55 174.61 1xiw s PHE 109 N -0.25 3.23 -0.65 -3.49 0.08 -1.26 -4.42 117.98 111.22 1xiw s PHE 109 Ca -0.01 -0.72 0.24 0.00 0.12 0.00 0.00 56.93 56.57 1xiw s PHE 109 Cb -0.02 -2.89 0.35 0.00 -0.57 0.00 0.00 43.02 39.89 1xiw s PHE 109 CO -0.00 -0.70 1.32 -0.40 -0.10 0.00 0.00 175.22 175.34 1xiw n ASP 110 N 5.25 0.69 -3.81 1.36 5.75 -0.53 -4.83 116.55 120.43 1xiw n ASP 110 Ca -0.11 0.11 -0.15 0.00 -0.01 0.00 0.00 54.79 54.63 1xiw n ASP 110 Cb 0.46 0.16 -0.16 0.00 -1.03 0.00 0.00 41.12 40.55 1xiw n ASP 110 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xiw s VAL 111 N -3.16 0.05 0.01 2.12 1.01 -1.25 -5.00 120.40 114.19 1xiw s VAL 111 Ca 0.06 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1xiw s VAL 111 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.34 1xiw s VAL 111 CO 0.72 0.10 -0.24 0.26 0.00 0.00 0.00 175.10 175.94 1xiw s TRP 112 N 0.87 2.15 0.96 5.22 0.52 -1.26 -0.27 118.94 127.13 1xiw s TRP 112 Ca -0.08 -0.40 -0.14 0.00 0.02 0.00 0.00 56.10 55.50 1xiw s TRP 112 Cb -0.11 -1.33 0.17 0.00 -1.15 0.00 0.00 33.47 31.04 1xiw s TRP 112 CO -0.02 0.04 1.16 0.20 0.02 0.00 0.00 176.95 178.35 1xiw s GLY 113 N -0.89 1.61 0.00 0.98 0.00 -0.10 -4.54 107.32 104.38 1xiw s GLY 113 Ca 0.10 -0.70 0.30 0.00 0.00 0.00 0.00 44.72 44.42 1xiw s GLY 113 CO 0.00 -0.06 1.99 0.61 0.00 0.00 0.00 173.10 175.65 1xiw n GLN 114 N -3.90 0.38 0.00 2.90 0.00 -1.25 -4.78 117.38 110.72 1xiw n GLN 114 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 57.00 57.06 1xiw n GLN 114 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.33 1xiw n GLN 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xiw n GLY 115 N 1.32 0.74 2.96 2.61 0.00 -1.26 -5.03 105.19 106.53 1xiw n GLY 115 Ca 0.13 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 1xiw n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xiw s THR 116 N -2.38 1.24 -0.05 2.61 2.01 -0.11 -4.89 115.64 114.08 1xiw s THR 116 Ca 0.00 -0.44 -0.25 0.00 0.31 0.00 0.00 61.69 61.31 1xiw s THR 116 Cb 0.00 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1xiw s THR 116 CO 0.00 0.40 0.77 -0.89 -0.69 0.00 0.00 174.62 174.21 1xiw s THR 117 N 1.52 5.00 -0.11 -0.82 2.01 -1.26 -0.95 115.64 121.03 1xiw s THR 117 Ca 0.03 1.59 0.04 0.00 0.31 0.00 0.00 61.69 63.66 1xiw s THR 117 Cb -0.13 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1xiw s THR 117 CO -0.08 0.23 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.63 1xiw s LEU 118 N 0.82 2.08 -0.11 4.42 2.96 -0.15 -1.27 118.68 127.44 1xiw s LEU 118 Ca 0.41 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1xiw s LEU 118 Cb -0.19 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.12 1xiw s LEU 118 CO 0.21 0.14 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.37 1xiw s THR 119 N 0.47 1.24 -0.26 3.68 2.01 -0.71 -1.34 115.64 120.74 1xiw s THR 119 Ca -0.16 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 1xiw s THR 119 Cb -0.17 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 71.18 1xiw s THR 119 CO 0.06 0.40 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.65 1xiw s VAL 120 N 1.25 2.92 0.25 3.82 1.01 -1.26 -1.69 120.40 126.70 1xiw s VAL 120 Ca -0.03 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1xiw s VAL 120 Cb -0.14 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.75 1xiw s VAL 120 CO -0.04 0.15 0.63 0.72 0.00 0.00 0.00 175.10 176.56 1xiw s PHE 121 N 1.32 -0.08 0.00 5.22 -0.12 -0.73 -4.15 117.98 119.43 1xiw s PHE 121 Ca -0.01 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.55 1xiw s PHE 121 Cb -0.17 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 1xiw s PHE 121 CO -0.04 -1.11 0.37 -1.13 -0.05 0.00 0.00 175.22 173.26