#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xee n SER 32 N 0.00 7.58 -0.77 6.41 7.64 -1.26 -4.78 113.62 128.44 1xee n SER 32 Ca 0.00 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.81 1xee n SER 32 Cb 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.85 1xee n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xee n GLY 33 N 1.73 0.75 3.25 0.23 0.00 -1.26 -5.15 105.19 104.74 1xee n GLY 33 Ca 0.60 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1xee n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xee s LEU 34 N 0.00 2.21 -1.10 0.99 1.43 -1.26 -5.00 118.68 115.94 1xee s LEU 34 Ca 0.00 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.35 1xee s LEU 34 Cb 0.00 -1.45 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 1xee s LEU 34 CO 0.00 0.16 1.98 -2.84 0.23 0.00 0.00 176.35 175.88 1xee s PRO 35 N 0.33 2.30 -0.15 1.29 0.02 -1.26 -4.90 135.00 132.62 1xee s PRO 35 Ca -0.17 -0.85 0.02 0.00 0.02 0.00 0.00 61.00 60.02 1xee s PRO 35 Cb -0.18 -5.16 0.01 0.00 0.02 0.00 0.00 34.50 29.20 1xee s PRO 35 CO 0.08 -4.09 -0.21 -0.08 -0.33 0.00 0.00 177.00 172.37 1xee s THR 36 N 11.79 2.12 0.29 0.99 -1.32 -1.26 -5.02 115.64 123.24 1xee s THR 36 Ca 0.71 -0.95 0.02 0.00 -1.21 0.00 0.00 61.69 60.27 1xee s THR 36 Cb -0.03 -1.86 -0.06 0.00 -1.51 0.00 0.00 72.50 69.04 1xee s THR 36 CO 0.11 0.54 0.08 0.42 -2.21 0.00 0.00 174.62 173.57 1xee s THR 37 N 0.95 0.84 0.13 5.08 -4.23 -1.26 -3.86 115.64 113.29 1xee s THR 37 Ca -0.04 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.17 1xee s THR 37 Cb -0.15 -2.70 -0.09 0.00 1.34 0.00 0.00 72.50 70.90 1xee s THR 37 CO -0.05 0.00 1.51 0.25 -0.54 0.00 0.00 174.62 175.80 1xee h LEU 38 N 2.24 -1.85 -1.73 4.79 5.85 -0.06 0.10 115.31 124.65 1xee h LEU 38 Ca -0.39 0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1xee h LEU 38 Cb 1.25 0.78 -0.00 0.00 0.37 0.00 0.00 40.66 43.05 1xee h LEU 38 CO 0.64 -0.33 -0.12 1.23 -0.34 0.00 0.00 178.44 179.53 1xee h GLY 39 N -0.26 0.02 0.84 3.75 0.00 -1.45 0.14 103.07 106.11 1xee h GLY 39 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1xee h GLY 39 CO -0.66 0.01 -0.22 1.70 0.00 0.00 0.00 176.54 177.37 1xee h LYS 40 N 0.02 -0.59 0.11 4.80 3.11 -1.53 -1.56 116.57 120.93 1xee h LYS 40 Ca 0.00 0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1xee h LYS 40 Cb 0.22 0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 31.54 1xee h LYS 40 CO 0.02 -0.31 -0.30 1.25 -2.81 0.00 0.00 179.45 177.29 1xee h LEU 41 N -0.78 -0.86 -0.90 5.20 5.85 -0.62 -2.45 115.31 120.75 1xee h LEU 41 Ca -0.06 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1xee h LEU 41 Cb 0.55 0.33 -0.11 0.00 0.37 0.00 0.00 40.66 41.79 1xee h LEU 41 CO 0.10 -0.38 -0.57 -0.78 -0.34 0.00 0.00 178.44 176.47 1xee h ASP 42 N -0.51 -2.08 -0.76 1.25 3.58 -0.74 0.34 116.42 117.50 1xee h ASP 42 Ca 0.03 0.31 0.14 0.00 0.42 0.00 0.00 57.03 57.94 1xee h ASP 42 Cb 0.54 0.91 -0.09 0.00 1.72 0.00 0.00 39.33 42.41 1xee h ASP 42 CO -0.18 -0.25 0.30 -0.08 -2.88 0.00 0.00 179.24 176.15 1xee h GLU 43 N -0.06 0.43 -0.38 0.28 4.57 -1.25 0.33 114.58 118.51 1xee h GLU 43 Ca 0.14 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.15 1xee h GLU 43 Cb 0.43 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1xee h GLU 43 CO -0.87 0.29 -0.35 -0.09 -1.18 0.00 0.00 179.01 176.81 1xee h ARG 44 N 0.45 0.90 -0.16 1.92 9.65 -0.88 -2.92 114.38 123.34 1xee h ARG 44 Ca 0.42 -0.47 -0.02 0.00 -1.10 0.00 0.00 59.98 58.81 1xee h ARG 44 Cb 0.63 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 1xee h ARG 44 CO -0.40 1.12 0.03 -0.07 2.80 0.00 0.00 179.97 183.45 1xee h LEU 45 N 0.71 0.25 -0.33 3.80 3.38 0.22 0.44 115.31 123.79 1xee h LEU 45 Ca 0.06 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xee h LEU 45 Cb 0.94 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1xee h LEU 45 CO 0.09 0.43 0.20 0.03 0.09 0.00 0.00 178.44 179.28 1xee h ARG 46 N 0.06 0.40 -0.60 1.13 3.08 -0.98 0.11 114.38 117.58 1xee h ARG 46 Ca 0.05 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1xee h ARG 46 Cb 0.28 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1xee h ARG 46 CO 0.00 0.26 0.01 -0.91 -1.07 0.00 0.00 179.97 178.26 1xee h ASN 47 N 0.41 1.04 0.03 7.04 2.35 -1.40 -2.71 115.58 122.33 1xee h ASN 47 Ca 0.13 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1xee h ASN 47 Cb -0.01 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1xee h ASN 47 CO -0.05 1.09 -0.01 0.22 -1.65 0.00 0.00 177.43 177.02 1xee h TYR 48 N 0.96 -0.04 -0.44 1.19 3.20 0.61 -3.09 116.97 119.36 1xee h TYR 48 Ca 0.17 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 1xee h TYR 48 Cb 0.55 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1xee h TYR 48 CO 0.04 0.17 -0.14 1.37 -1.64 0.00 0.00 178.16 177.96 1xee h LEU 49 N -0.23 0.81 -1.54 2.82 8.10 -0.90 -3.19 115.31 121.17 1xee h LEU 49 Ca -0.00 -0.26 0.22 0.00 0.11 0.00 0.00 57.88 57.95 1xee h LEU 49 Cb 0.22 -0.22 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1xee h LEU 49 CO 0.01 0.95 0.84 0.50 -4.11 0.00 0.00 178.44 176.63 1xee h LYS 50 N 0.72 0.00 -0.00 0.17 3.64 -1.39 0.57 116.57 120.28 1xee h LYS 50 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xee h LYS 50 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1xee h LYS 50 CO 0.04 0.00 -0.62 0.36 -2.27 0.00 0.00 179.45 176.96 1xee n LYS 51 N -3.48 2.45 -0.03 1.90 2.85 -1.20 -4.56 118.16 116.08 1xee n LYS 51 Ca 0.16 -0.05 -0.02 0.00 -1.05 0.00 0.00 58.31 57.34 1xee n LYS 51 Cb 1.09 -1.15 -0.01 0.00 -0.65 0.00 0.00 35.03 34.31 1xee n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xee n GLY 52 N 1.30 -0.63 3.96 2.58 0.00 -0.01 -5.00 105.19 107.40 1xee n GLY 52 Ca 0.03 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1xee n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xee s THR 53 N -1.57 4.76 -0.10 2.61 -1.32 -0.06 -5.05 115.64 114.91 1xee s THR 53 Ca -0.08 -0.68 0.17 0.00 -1.21 0.00 0.00 61.69 59.90 1xee s THR 53 Cb 0.01 -3.71 -0.25 0.00 -1.51 0.00 0.00 72.50 67.03 1xee s THR 53 CO 0.11 -0.40 0.23 1.17 -2.21 0.00 0.00 174.62 173.52 1xee n LYS 54 N -1.73 0.88 -0.82 7.08 4.81 -1.26 -3.65 118.16 123.47 1xee n LYS 54 Ca -0.04 -0.09 0.08 0.00 -0.87 0.00 0.00 58.31 57.39 1xee n LYS 54 Cb 0.57 -1.45 0.39 0.00 0.02 0.00 0.00 35.03 34.56 1xee n LYS 54 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1xee n ASN 55 N -2.41 5.44 -0.14 3.14 0.23 -1.26 -4.53 115.26 115.73 1xee n ASN 55 Ca -0.17 -2.79 0.14 0.00 -0.53 0.00 0.00 54.58 51.24 1xee n ASN 55 Cb 0.79 -0.66 0.25 0.00 -2.08 0.00 0.00 39.78 38.08 1xee n ASN 55 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1xee n SER 56 N 0.78 0.13 -0.05 0.53 3.41 -1.24 -0.57 113.62 116.60 1xee n SER 56 Ca 0.27 0.64 0.14 0.00 -0.26 0.00 0.00 58.87 59.66 1xee n SER 56 Cb 1.11 -0.31 0.62 0.00 -0.26 0.00 0.00 64.21 65.36 1xee n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xee n ALA 57 N -2.67 2.68 0.91 7.33 0.00 -1.26 -3.77 120.51 123.73 1xee n ALA 57 Ca 0.16 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1xee n ALA 57 Cb 0.55 -1.38 0.18 0.00 0.00 0.00 0.00 19.45 18.79 1xee n ALA 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xee n GLN 58 N -1.20 0.06 -2.57 0.00 1.13 0.26 -4.88 117.38 110.19 1xee n GLN 58 Ca 0.12 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 1xee n GLN 58 Cb 0.28 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 29.07 1xee n GLN 58 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1xee s PHE 59 N -3.04 3.60 -0.14 1.08 0.08 -1.23 -0.87 117.98 117.46 1xee s PHE 59 Ca 0.09 1.56 -0.01 0.00 0.12 0.00 0.00 56.93 58.69 1xee s PHE 59 Cb 0.17 -3.24 -0.24 0.00 -0.57 0.00 0.00 43.02 39.13 1xee s PHE 59 CO 0.73 -0.53 0.28 -1.91 -0.10 0.00 0.00 175.22 173.70 1xee n GLU 60 N 3.37 0.72 -3.51 0.44 2.13 0.73 -4.39 120.64 120.13 1xee n GLU 60 Ca 0.06 0.23 -0.11 0.00 0.66 0.00 0.00 57.16 58.00 1xee n GLU 60 Cb 0.48 -1.68 -0.03 0.00 0.27 0.00 0.00 31.44 30.48 1xee n GLU 60 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xee s LYS 61 N -2.55 0.87 0.05 5.31 -2.85 -0.62 -1.18 119.74 118.75 1xee s LYS 61 Ca -0.22 -0.16 0.03 0.00 -1.00 0.00 0.00 55.97 54.62 1xee s LYS 61 Cb 0.07 0.40 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 1xee s LYS 61 CO 0.75 -0.35 -0.09 0.00 0.10 0.00 0.00 175.35 175.76 1xee s MET 62 N -2.53 0.61 -0.14 1.78 0.23 0.02 0.49 119.30 119.75 1xee s MET 62 Ca 0.01 -0.79 0.02 0.00 -1.03 0.00 0.00 55.69 53.90 1xee s MET 62 Cb -0.01 -0.45 0.01 0.00 -1.53 0.00 0.00 34.83 32.86 1xee s MET 62 CO -0.05 0.09 -0.20 0.08 -2.03 0.00 0.00 175.02 172.91 1xee s VAL 63 N -1.30 1.93 -0.26 5.16 1.01 0.12 -0.02 120.40 127.03 1xee s VAL 63 Ca -0.07 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 1xee s VAL 63 Cb -0.10 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1xee s VAL 63 CO 0.01 0.52 0.13 -0.63 0.00 0.00 0.00 175.10 175.14 1xee s ILE 64 N 0.93 4.86 -0.17 2.22 -1.09 0.93 -1.01 121.20 127.87 1xee s ILE 64 Ca -0.05 0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.36 1xee s ILE 64 Cb -0.15 -3.29 -0.02 0.00 -1.58 0.00 0.00 42.46 37.42 1xee s ILE 64 CO -0.04 0.30 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.16 1xee s LEU 65 N 1.63 3.05 0.00 2.97 1.43 -0.58 -1.63 118.68 125.56 1xee s LEU 65 Ca 0.07 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1xee s LEU 65 Cb -0.15 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1xee s LEU 65 CO 0.07 0.12 0.01 0.35 0.23 0.00 0.00 176.35 177.13 1xee n THR 66 N 3.89 0.00 -1.05 5.49 -2.24 -0.86 -0.39 114.28 119.11 1xee n THR 66 Ca -0.18 -0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 1xee n THR 66 Cb 0.52 -0.87 0.21 0.00 -2.10 0.00 0.00 70.33 68.08 1xee n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xee n GLU 67 N -0.90 2.62 0.00 -0.78 1.02 -1.11 -4.52 120.64 116.98 1xee n GLU 67 Ca 0.00 -2.87 0.00 0.00 -0.02 0.00 0.00 57.16 54.27 1xee n GLU 67 Cb 0.01 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 1xee n GLU 67 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xee n ASN 68 N -0.77 0.00 -0.48 1.62 3.02 -1.25 -0.12 115.26 117.28 1xee n ASN 68 Ca 0.51 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1xee n ASN 68 Cb 1.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.70 1xee n ASN 68 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1xee n LYS 69 N 0.00 0.00 -2.60 3.52 2.85 -1.26 -4.16 118.16 116.51 1xee n LYS 69 Ca 0.00 -0.42 -0.43 0.00 -1.05 0.00 0.00 58.31 56.41 1xee n LYS 69 Cb 0.00 -0.21 -0.02 0.00 -0.65 0.00 0.00 35.03 34.15 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1xee s GLY 70 N -0.41 1.54 -0.46 2.58 0.00 -1.26 -4.97 107.32 104.34 1xee s GLY 70 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 44.72 44.75 1xee s GLY 70 CO 0.00 2.33 0.20 -0.47 0.00 0.00 0.00 173.10 175.16 1xee s TYR 71 N 3.74 3.42 -0.12 1.90 5.04 -1.26 -2.04 117.35 128.05 1xee s TYR 71 Ca 0.47 -3.04 0.01 0.00 -2.44 0.00 0.00 57.07 52.08 1xee s TYR 71 Cb -0.13 -2.91 -0.01 0.00 0.35 0.00 0.00 41.96 39.25 1xee s TYR 71 CO 0.16 -0.83 -0.16 0.71 -1.34 0.00 0.00 175.55 174.09 1xee s TYR 72 N 0.21 2.74 -0.19 4.97 2.02 -0.64 -4.96 117.35 121.49 1xee s TYR 72 Ca 0.14 -0.69 -0.04 0.00 -0.37 0.00 0.00 57.07 56.11 1xee s TYR 72 Cb -0.23 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 1xee s TYR 72 CO -0.03 -0.22 -0.02 -0.08 -1.57 0.00 0.00 175.55 173.62 1xee s THR 73 N 0.25 3.79 -0.29 -0.71 -1.32 -1.26 -0.05 115.64 116.05 1xee s THR 73 Ca -0.11 -0.37 0.03 0.00 -1.21 0.00 0.00 61.69 60.03 1xee s THR 73 Cb -0.16 -2.70 0.08 0.00 -1.51 0.00 0.00 72.50 68.21 1xee s THR 73 CO 0.06 0.44 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.20 1xee s VAL 74 N 0.97 1.96 -0.75 5.08 1.01 0.97 -4.95 120.40 124.68 1xee s VAL 74 Ca 0.01 -1.81 -0.26 0.00 0.00 0.00 0.00 61.98 59.92 1xee s VAL 74 Cb -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1xee s VAL 74 CO 0.01 -0.33 1.61 -0.31 0.00 0.00 0.00 175.10 176.08 1xee s TYR 75 N 1.13 2.02 0.65 5.22 1.51 -1.26 -0.80 117.35 125.82 1xee s TYR 75 Ca 0.01 0.25 0.07 0.00 -1.01 0.00 0.00 57.07 56.39 1xee s TYR 75 Cb -0.19 -4.36 0.31 0.00 -0.11 0.00 0.00 41.96 37.61 1xee s TYR 75 CO -0.08 -2.10 1.14 -0.07 -1.11 0.00 0.00 175.55 173.33 1xee h LEU 76 N 14.93 0.00 0.00 -1.29 3.38 -1.45 0.74 115.31 131.61 1xee h LEU 76 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1xee h LEU 76 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xee h LEU 76 CO 1.27 0.00 -0.23 -1.13 0.09 0.00 0.00 178.44 178.43 1xee h ASN 77 N 0.00 0.00 -3.68 -0.43 -0.00 -1.74 -3.45 115.58 106.28 1xee h ASN 77 Ca 0.08 0.00 -0.68 0.00 -0.00 0.00 0.00 56.30 55.71 1xee h ASN 77 Cb 2.02 0.00 -0.19 0.00 -0.00 0.00 0.00 38.32 40.15 1xee h ASN 77 CO -0.00 0.10 -0.81 0.42 -0.00 0.00 0.00 177.43 177.13 1xee s THR 78 N -3.18 2.70 -0.16 -3.57 -4.23 0.25 -5.11 115.64 102.34 1xee s THR 78 Ca 0.05 -1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 58.66 1xee s THR 78 Cb 0.06 -2.24 -0.00 0.00 1.34 0.00 0.00 72.50 71.66 1xee s THR 78 CO 0.70 0.07 1.06 -2.16 -0.54 0.00 0.00 174.62 173.75 1xee s PRO 79 N -2.20 4.33 -0.10 3.99 0.05 -1.26 -4.78 135.00 135.02 1xee s PRO 79 Ca 0.18 1.43 -0.29 0.00 0.05 0.00 0.00 61.00 62.36 1xee s PRO 79 Cb -0.10 -3.61 -0.05 0.00 0.05 0.00 0.00 34.50 30.79 1xee s PRO 79 CO 0.09 -0.50 1.77 -1.17 0.05 0.00 0.00 177.00 177.25 1xee s LEU 80 N 2.67 4.12 0.32 -3.56 2.96 -1.26 -4.96 118.68 118.97 1xee s LEU 80 Ca 0.48 2.11 -0.25 0.00 -0.22 0.00 0.00 54.13 56.25 1xee s LEU 80 Cb -0.18 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.83 1xee s LEU 80 CO 0.13 -1.16 0.47 0.00 -1.32 0.00 0.00 176.35 174.47 1xee n ALA 81 N 8.11 -2.26 0.33 5.97 0.00 -1.26 -4.80 120.51 126.61 1xee n ALA 81 Ca 0.20 0.28 0.15 0.00 0.00 0.00 0.00 53.44 54.07 1xee n ALA 81 Cb 0.43 -1.66 0.59 0.00 0.00 0.00 0.00 19.45 18.81 1xee n ALA 81 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1xee h GLU 82 N 0.90 0.00 -0.29 0.00 4.11 -1.98 -0.24 114.58 117.07 1xee h GLU 82 Ca -0.35 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.00 1xee h GLU 82 Cb 1.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1xee h GLU 82 CO 0.53 0.00 -0.16 0.22 0.07 0.00 0.00 179.01 179.67 1xee h ASP 83 N 0.00 0.64 1.08 3.06 3.58 -1.99 -2.17 116.42 120.62 1xee h ASP 83 Ca 0.00 -0.42 -0.04 0.00 0.42 0.00 0.00 57.03 56.98 1xee h ASP 83 Cb 0.48 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1xee h ASP 83 CO 0.00 0.92 -0.94 0.03 -2.88 0.00 0.00 179.24 176.37 1xee h ARG 84 N 0.36 0.00 -0.54 0.28 3.08 -1.54 -3.23 114.38 112.79 1xee h ARG 84 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1xee h ARG 84 Cb 0.69 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1xee h ARG 84 CO 0.05 0.10 0.27 0.87 -1.07 0.00 0.00 179.97 180.19 1xee h LYS 85 N 0.00 0.74 -0.78 0.04 1.57 -0.61 -2.14 116.57 115.40 1xee h LYS 85 Ca -0.04 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.55 1xee h LYS 85 Cb 1.16 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.25 1xee h LYS 85 CO 0.01 0.56 0.15 -1.71 -0.57 0.00 0.00 179.45 177.89 1xee n ASN 86 N -4.39 4.31 -4.69 0.86 5.15 -0.86 -2.07 115.26 113.57 1xee n ASN 86 Ca 0.05 -2.86 -0.38 0.00 -0.60 0.00 0.00 54.58 50.79 1xee n ASN 86 Cb 0.11 -0.68 -0.06 0.00 -0.53 0.00 0.00 39.78 38.62 1xee n ASN 86 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xee s VAL 87 N -2.38 5.17 0.20 3.44 1.01 -0.81 -4.89 120.40 122.14 1xee s VAL 87 Ca 0.42 0.90 -0.12 0.00 0.00 0.00 0.00 61.98 63.18 1xee s VAL 87 Cb 0.33 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1xee s VAL 87 CO 0.11 0.27 0.57 -1.83 0.00 0.00 0.00 175.10 174.21 1xee s GLU 88 N 1.06 3.90 -0.22 2.72 -1.05 -1.26 0.53 118.70 124.38 1xee s GLU 88 Ca 0.24 0.40 -0.23 0.00 -0.15 0.00 0.00 54.97 55.23 1xee s GLU 88 Cb -0.15 -2.75 -0.01 0.00 -0.44 0.00 0.00 34.13 30.77 1xee s GLU 88 CO 0.09 0.37 0.76 -0.51 0.95 0.00 0.00 175.26 176.93 1xee s LEU 89 N -2.46 4.11 0.00 1.83 1.43 -1.25 -4.75 118.68 117.59 1xee s LEU 89 Ca 0.44 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1xee s LEU 89 Cb -0.13 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 43.00 1xee s LEU 89 CO 0.20 -0.43 0.15 0.18 0.23 0.00 0.00 176.35 176.68 1xee n LEU 90 N 5.63 0.00 0.00 1.79 4.77 -1.26 -4.83 117.00 123.10 1xee n LEU 90 Ca 0.03 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1xee n LEU 90 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1xee n LEU 90 CO 0.46 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1xee n GLY 91 N 1.95 0.73 3.72 -0.72 0.00 -1.26 -3.84 105.19 105.78 1xee n GLY 91 Ca 0.00 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 1xee n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xee s LYS 92 N -0.91 4.57 -0.49 1.61 1.02 -1.26 -4.73 119.74 119.56 1xee s LYS 92 Ca 0.00 1.60 -0.33 0.00 0.02 0.00 0.00 55.97 57.26 1xee s LYS 92 Cb 0.00 -3.36 -0.13 0.00 -0.52 0.00 0.00 37.83 33.82 1xee s LYS 92 CO 0.00 -0.01 2.32 -0.12 -0.92 0.00 0.00 175.35 176.62 1xee n MET 93 N 3.22 0.86 0.37 1.68 0.00 -1.26 -2.74 117.12 119.24 1xee n MET 93 Ca 0.05 0.18 -0.15 0.00 -0.00 0.00 0.00 57.70 57.78 1xee n MET 93 Cb 0.48 -2.46 -0.07 0.00 0.00 0.00 0.00 33.22 31.17 1xee n MET 93 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 1xee h TYR 94 N 13.57 -0.89 -2.77 1.12 3.20 -0.97 0.48 116.97 130.70 1xee h TYR 94 Ca -0.22 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.52 1xee h TYR 94 Cb 1.31 0.30 -0.21 0.00 1.54 0.00 0.00 36.73 39.67 1xee h TYR 94 CO 0.98 -0.55 -0.18 0.15 -1.64 0.00 0.00 178.16 176.93 1xee s LYS 95 N -4.78 0.71 -0.23 1.82 1.02 -1.16 -3.61 119.74 113.51 1xee s LYS 95 Ca -0.15 0.06 -0.01 0.00 0.02 0.00 0.00 55.97 55.89 1xee s LYS 95 Cb 0.02 0.32 0.02 0.00 -0.52 0.00 0.00 37.83 37.67 1xee s LYS 95 CO 0.44 -0.18 -0.10 0.99 -0.92 0.00 0.00 175.35 175.58 1xee s THR 96 N -0.98 2.67 -0.17 2.17 2.01 0.35 -1.53 115.64 120.17 1xee s THR 96 Ca -0.10 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 60.84 1xee s THR 96 Cb -0.04 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1xee s THR 96 CO 0.05 0.30 0.08 -0.31 -0.69 0.00 0.00 174.62 174.04 1xee s TYR 97 N 1.32 3.31 -0.04 4.92 2.02 -0.18 -0.36 117.35 128.34 1xee s TYR 97 Ca 0.01 0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1xee s TYR 97 Cb -0.16 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1xee s TYR 97 CO -0.07 0.29 -0.06 -0.06 -1.57 0.00 0.00 175.55 174.08 1xee s PHE 98 N 0.05 2.94 -0.10 2.71 0.40 0.30 0.11 117.98 124.38 1xee s PHE 98 Ca 0.06 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 1xee s PHE 98 Cb -0.12 -1.68 0.01 0.00 0.51 0.00 0.00 43.02 41.75 1xee s PHE 98 CO 0.00 0.36 -0.16 -0.06 0.70 0.00 0.00 175.22 176.07 1xee s PHE 99 N -0.89 1.95 0.60 0.36 0.08 0.18 -0.87 117.98 119.39 1xee s PHE 99 Ca 0.14 -0.88 -0.12 0.00 0.12 0.00 0.00 56.93 56.19 1xee s PHE 99 Cb -0.11 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 40.89 1xee s PHE 99 CO 0.04 -0.44 1.02 0.15 -0.10 0.00 0.00 175.22 175.89 1xee s LYS 100 N 0.87 3.66 0.02 0.44 1.02 -1.26 -0.19 119.74 124.30 1xee s LYS 100 Ca -0.09 0.78 -0.30 0.00 0.02 0.00 0.00 55.97 56.38 1xee s LYS 100 Cb -0.15 -2.09 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 1xee s LYS 100 CO 0.00 -0.51 1.85 0.15 -0.92 0.00 0.00 175.35 175.92 1xee s LYS 101 N -4.98 4.16 0.00 1.68 1.02 -0.05 -2.49 119.74 119.07 1xee s LYS 101 Ca 0.56 2.48 0.00 0.00 0.02 0.00 0.00 55.97 59.02 1xee s LYS 101 Cb -0.11 -4.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 1xee s LYS 101 CO 0.50 -0.91 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 1xee n GLY 102 N 4.38 0.70 3.15 -3.33 0.00 -1.26 -5.01 105.19 103.81 1xee n GLY 102 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1xee n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xee s GLU 103 N -0.66 0.91 -0.23 1.61 -1.05 -1.04 -5.03 118.70 113.21 1xee s GLU 103 Ca 0.00 -0.79 0.14 0.00 -0.15 0.00 0.00 54.97 54.18 1xee s GLU 103 Cb 0.00 -0.91 0.67 0.00 -0.44 0.00 0.00 34.13 33.44 1xee s GLU 103 CO 0.00 0.22 1.60 0.43 0.95 0.00 0.00 175.26 178.47 1xee n SER 104 N 1.80 4.61 -4.89 0.83 7.64 -1.26 -4.20 113.62 118.16 1xee n SER 104 Ca -0.19 -3.07 -0.36 0.00 1.01 0.00 0.00 58.87 56.27 1xee n SER 104 Cb 0.55 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 63.06 1xee n SER 104 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xee s LYS 105 N -2.87 3.46 -0.58 1.43 -0.14 -1.26 -5.07 119.74 114.71 1xee s LYS 105 Ca 0.49 -0.18 -0.28 0.00 -1.36 0.00 0.00 55.97 54.64 1xee s LYS 105 Cb 0.39 -3.16 0.03 0.00 -1.68 0.00 0.00 37.83 33.41 1xee s LYS 105 CO 0.12 0.74 1.24 -1.12 -0.76 0.00 0.00 175.35 175.56 1xee s SER 106 N -1.36 6.38 -0.05 2.83 0.01 -1.26 -4.16 113.70 116.10 1xee s SER 106 Ca 0.20 0.13 0.09 0.00 1.31 0.00 0.00 55.95 57.68 1xee s SER 106 Cb -0.12 -2.55 0.20 0.00 0.21 0.00 0.00 66.02 63.76 1xee s SER 106 CO 0.10 -1.54 1.15 -1.54 0.41 0.00 0.00 173.24 171.82 1xee n SER 107 N 8.69 2.55 -3.65 2.44 3.41 -0.05 -4.83 113.62 122.18 1xee n SER 107 Ca 0.09 -2.35 -0.13 0.00 -0.26 0.00 0.00 58.87 56.22 1xee n SER 107 Cb 0.49 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 1xee n SER 107 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1xee s TYR 108 N -1.61 -0.78 -0.04 7.33 5.04 -1.21 -4.99 117.35 121.08 1xee s TYR 108 Ca 0.18 1.83 0.04 0.00 -2.44 0.00 0.00 57.07 56.68 1xee s TYR 108 Cb 0.13 0.32 -0.00 0.00 0.35 0.00 0.00 41.96 42.76 1xee s TYR 108 CO 0.06 -0.38 -0.15 0.54 -1.34 0.00 0.00 175.55 174.28 1xee s VAL 109 N 0.60 1.24 -0.14 3.14 0.11 -1.26 -0.54 120.40 123.55 1xee s VAL 109 Ca -0.02 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 58.42 1xee s VAL 109 Cb -0.05 -1.08 -0.02 0.00 -1.53 0.00 0.00 36.38 33.71 1xee s VAL 109 CO -0.03 0.36 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.36 1xee s ILE 110 N 0.13 3.18 0.17 7.04 1.01 0.52 -4.97 121.20 128.28 1xee s ILE 110 Ca -0.04 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 59.86 1xee s ILE 110 Cb -0.11 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.94 1xee s ILE 110 CO 0.02 0.52 0.55 0.21 0.00 0.00 0.00 174.94 176.23 1xee s ASN 111 N 0.38 6.76 0.00 3.58 3.84 -1.26 -0.49 114.94 127.75 1xee s ASN 111 Ca -0.09 1.03 0.00 0.00 0.21 0.00 0.00 52.86 54.00 1xee s ASN 111 Cb -0.16 -2.27 0.00 0.00 -0.55 0.00 0.00 41.25 38.28 1xee s ASN 111 CO 0.05 0.05 0.00 0.61 -2.79 0.00 0.00 177.10 175.02 1xee n GLY 112 N 0.53 4.97 0.23 1.21 0.00 -1.24 -4.99 105.19 105.90 1xee n GLY 112 Ca -0.04 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.28 1xee n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xee h PRO 113 N 0.00 0.00 -6.46 1.61 0.13 -1.82 -3.45 132.00 122.00 1xee h PRO 113 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1xee h PRO 113 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 1xee h PRO 113 CO 0.00 0.11 0.80 0.41 -0.23 0.00 0.00 178.00 179.10 1xee n GLY 114 N 0.60 1.11 0.11 1.56 0.00 0.14 -4.89 105.19 103.82 1xee n GLY 114 Ca 0.02 0.68 -0.12 0.00 0.00 0.00 0.00 46.02 46.60 1xee n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xee n LYS 115 N 3.73 0.68 -3.79 1.61 0.00 -1.26 -4.60 118.16 114.52 1xee n LYS 115 Ca 0.18 0.04 -0.12 0.00 0.00 0.00 0.00 58.31 58.41 1xee n LYS 115 Cb 0.28 -1.53 -0.09 0.00 0.00 0.00 0.00 35.03 33.70 1xee n LYS 115 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1xee s THR 116 N -2.50 0.07 -1.47 3.15 -1.32 -1.26 -5.04 115.64 107.27 1xee s THR 116 Ca -0.17 -0.61 0.25 0.00 -1.21 0.00 0.00 61.69 59.95 1xee s THR 116 Cb 0.07 -0.68 0.07 0.00 -1.51 0.00 0.00 72.50 70.45 1xee s THR 116 CO 0.77 -0.33 1.34 -3.20 -2.21 0.00 0.00 174.62 170.99 1xee n ASN 117 N 1.10 1.04 -4.88 8.08 4.05 -1.26 -3.99 115.26 119.39 1xee n ASN 117 Ca -0.21 -0.83 -0.30 0.00 0.45 0.00 0.00 54.58 53.70 1xee n ASN 117 Cb 0.57 0.36 -0.01 0.00 1.23 0.00 0.00 39.78 41.92 1xee n ASN 117 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1xee s GLU 118 N -2.72 3.68 -0.71 1.20 0.41 -1.26 -4.26 118.70 115.05 1xee s GLU 118 Ca 0.17 0.46 -0.26 0.00 -0.41 0.00 0.00 54.97 54.93 1xee s GLU 118 Cb 0.18 -2.31 -0.23 0.00 -1.78 0.00 0.00 34.13 29.99 1xee s GLU 118 CO 0.63 -0.20 1.87 0.66 -0.49 0.00 0.00 175.26 177.74 1xee n TYR 119 N -1.88 1.27 -1.83 1.61 4.02 -1.20 -4.51 117.16 114.63 1xee n TYR 119 Ca 0.03 -0.95 -0.42 0.00 -0.01 0.00 0.00 57.90 56.55 1xee n TYR 119 Cb 0.54 -1.84 -0.03 0.00 -0.02 0.00 0.00 39.34 38.00 1xee n TYR 119 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xee s ALA 120 N 9.94 3.82 -1.20 -0.72 0.00 0.83 -4.98 121.76 129.46 1xee s ALA 120 Ca 0.69 1.49 0.10 0.00 0.00 0.00 0.00 51.96 54.24 1xee s ALA 120 Cb 0.07 -3.65 0.08 0.00 0.00 0.00 0.00 23.12 19.61 1xee s ALA 120 CO 0.21 -0.87 0.81 0.98 0.00 0.00 0.00 175.76 176.88