#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 4.13 0.00 0.53 7.64 -1.26 -4.99 113.62 119.66 1xee n SER 32 Ca 0.00 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.33 1xee n SER 32 Cb 0.00 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 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 -0.39 0.00 3.56 0.23 0.00 -1.26 -4.75 105.19 102.57 1xee n GLY 33 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 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 3.70 -0.99 0.99 1.43 -1.26 -5.04 118.68 117.51 1xee s LEU 34 Ca 0.00 -0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 1xee s LEU 34 Cb 0.00 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1xee s LEU 34 CO 0.00 0.08 1.86 -2.84 0.23 0.00 0.00 176.35 175.68 1xee s PRO 35 N 0.97 2.76 -0.78 1.29 0.02 -1.26 -4.88 135.00 133.12 1xee s PRO 35 Ca 0.04 -0.67 -0.08 0.00 0.02 0.00 0.00 61.00 60.32 1xee s PRO 35 Cb -0.14 -5.16 0.20 0.00 0.02 0.00 0.00 34.50 29.42 1xee s PRO 35 CO 0.03 -3.28 0.66 0.99 -0.33 0.00 0.00 177.00 175.08 1xee s THR 36 N 9.26 4.75 -0.05 0.99 2.01 -1.26 -5.04 115.64 126.30 1xee s THR 36 Ca 0.65 -2.90 -0.17 0.00 0.31 0.00 0.00 61.69 59.59 1xee s THR 36 Cb -0.04 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 1xee s THR 36 CO 0.01 -0.99 0.45 0.42 -0.69 0.00 0.00 174.62 173.83 1xee s THR 37 N -0.21 5.08 0.19 -0.82 -4.23 -1.26 -0.05 115.64 114.34 1xee s THR 37 Ca 0.20 0.93 -0.19 0.00 -1.18 0.00 0.00 61.69 61.44 1xee s THR 37 Cb -0.14 -3.78 0.14 0.00 1.34 0.00 0.00 72.50 70.06 1xee s THR 37 CO -0.07 0.45 1.60 0.25 -0.54 0.00 0.00 174.62 176.31 1xee h LEU 38 N 5.70 -0.98 -0.97 4.79 5.85 -0.44 -0.20 115.31 129.06 1xee h LEU 38 Ca -0.46 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1xee h LEU 38 Cb 1.20 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1xee h LEU 38 CO 0.69 -0.28 0.00 0.61 -0.34 0.00 0.00 178.44 179.12 1xee n GLY 39 N -1.43 -0.97 0.11 3.75 0.00 -1.03 -0.16 105.19 105.46 1xee n GLY 39 Ca 0.04 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1xee n GLY 39 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xee h LYS 40 N 0.00 0.29 -0.01 1.61 3.64 -1.27 -3.29 116.57 117.54 1xee h LYS 40 Ca 0.00 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1xee h LYS 40 Cb 0.13 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1xee h LYS 40 CO 0.00 1.19 -0.01 1.25 -2.27 0.00 0.00 179.45 179.61 1xee h LEU 41 N -0.38 0.03 -0.10 5.20 5.85 -0.63 -2.69 115.31 122.59 1xee h LEU 41 Ca -0.11 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.17 1xee h LEU 41 Cb 1.51 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1xee h LEU 41 CO 0.13 0.47 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.86 1xee h ASP 42 N -0.41 -0.21 -0.82 1.25 3.58 -0.74 0.48 116.42 119.55 1xee h ASP 42 Ca 0.00 0.03 0.20 0.00 0.42 0.00 0.00 57.03 57.69 1xee h ASP 42 Cb 0.46 0.09 -0.15 0.00 1.72 0.00 0.00 39.33 41.45 1xee h ASP 42 CO 0.00 -0.02 -0.06 1.21 -2.88 0.00 0.00 179.24 177.49 1xee n GLU 43 N -3.22 -0.07 0.00 0.28 4.07 -1.24 -0.96 120.64 119.50 1xee n GLU 43 Ca 0.00 1.25 -0.18 0.00 -0.06 0.00 0.00 57.16 58.17 1xee n GLU 43 Cb 0.03 -1.93 -0.10 0.00 -0.06 0.00 0.00 31.44 29.37 1xee n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xee h ARG 44 N 0.00 0.50 -0.20 5.31 3.08 -0.72 -1.16 114.38 121.19 1xee h ARG 44 Ca 0.46 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xee h ARG 44 Cb 0.87 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1xee h ARG 44 CO -0.80 1.13 0.11 -0.07 -1.07 0.00 0.00 179.97 179.28 1xee h LEU 45 N 0.06 0.25 0.02 3.04 3.38 0.58 -0.62 115.31 122.03 1xee h LEU 45 Ca -0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1xee h LEU 45 Cb 1.34 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1xee h LEU 45 CO 0.13 0.26 -0.01 0.03 0.09 0.00 0.00 178.44 178.94 1xee h ARG 46 N 0.22 -0.03 -0.89 1.13 3.08 -0.94 -2.97 114.38 113.97 1xee h ARG 46 Ca 0.07 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1xee h ARG 46 Cb 0.07 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1xee h ARG 46 CO -0.01 0.02 0.58 -0.91 -1.07 0.00 0.00 179.97 178.58 1xee h ASN 47 N -0.07 0.93 -1.00 7.04 2.35 -0.98 -2.60 115.58 121.24 1xee h ASN 47 Ca -0.00 -0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.99 1xee h ASN 47 Cb 0.06 -0.21 -0.09 0.00 0.05 0.00 0.00 38.32 38.14 1xee h ASN 47 CO 0.01 0.62 0.65 1.88 -1.65 0.00 0.00 177.43 178.93 1xee h TYR 48 N 1.07 0.66 -0.13 1.19 0.05 -0.94 -0.81 116.97 118.06 1xee h TYR 48 Ca 0.37 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.13 1xee h TYR 48 Cb 0.10 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 1xee h TYR 48 CO -0.00 0.10 -0.10 -0.07 -1.05 0.00 0.00 178.16 177.04 1xee h LEU 49 N 0.43 0.19 -0.91 3.88 4.07 -1.52 -2.93 115.31 118.51 1xee h LEU 49 Ca 0.56 -0.03 -0.07 0.00 0.08 0.00 0.00 57.88 58.42 1xee h LEU 49 Cb 1.37 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 1xee h LEU 49 CO -0.27 0.32 0.07 0.11 -1.08 0.00 0.00 178.44 177.59 1xee h LYS 50 N 0.19 0.87 0.00 1.13 6.56 -1.24 -1.76 116.57 122.32 1xee h LYS 50 Ca 0.04 -0.21 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1xee h LYS 50 Cb 0.30 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1xee h LYS 50 CO 0.02 0.83 0.00 1.63 -2.06 0.00 0.00 179.45 179.86 1xee n LYS 51 N -4.23 0.15 0.00 3.15 5.02 -1.11 -4.79 118.16 116.35 1xee n LYS 51 Ca 0.03 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1xee n LYS 51 Cb 0.27 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1xee n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xee n GLY 52 N -0.95 -1.36 3.56 0.72 0.00 -0.83 -5.11 105.19 101.21 1xee n GLY 52 Ca -0.00 0.39 -0.40 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.05 5.24 -0.21 2.61 -1.32 -0.72 -4.87 115.64 116.32 1xee s THR 53 Ca 0.00 0.04 0.09 0.00 -1.21 0.00 0.00 61.69 60.61 1xee s THR 53 Cb 0.00 -3.71 -0.13 0.00 -1.51 0.00 0.00 72.50 67.16 1xee s THR 53 CO 0.00 0.04 0.30 2.29 -2.21 0.00 0.00 174.62 175.04 1xee n LYS 54 N 5.21 1.93 -0.07 7.08 2.85 -1.24 -3.91 118.16 130.00 1xee n LYS 54 Ca -0.11 -0.05 -0.07 0.00 -1.05 0.00 0.00 58.31 57.03 1xee n LYS 54 Cb 0.50 -1.10 0.11 0.00 -0.65 0.00 0.00 35.03 33.89 1xee n LYS 54 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1xee h ASN 55 N 0.00 0.74 -0.08 -5.58 4.21 -1.93 -3.14 115.58 109.80 1xee h ASN 55 Ca 0.00 -0.26 0.02 0.00 1.21 0.00 0.00 56.30 57.27 1xee h ASN 55 Cb 0.34 -0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1xee h ASN 55 CO 0.00 0.94 0.10 0.28 -1.29 0.00 0.00 177.43 177.46 1xee h SER 56 N 0.64 0.00 0.00 5.81 0.02 -1.97 -2.48 113.55 115.57 1xee h SER 56 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1xee h SER 56 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1xee h SER 56 CO 0.06 0.00 0.10 0.00 -1.14 0.00 0.00 176.83 175.84 1xee n ALA 57 N -2.30 0.82 -1.60 3.77 0.00 -1.19 -3.59 120.51 116.41 1xee n ALA 57 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 1xee n ALA 57 Cb 0.20 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 1xee n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1xee n GLN 58 N -1.39 3.99 -0.63 0.00 7.27 -0.93 -4.81 117.38 120.89 1xee n GLN 58 Ca 0.00 -2.70 0.00 0.00 0.07 0.00 0.00 57.00 54.37 1xee n GLN 58 Cb 0.10 -2.76 0.00 0.00 2.41 0.00 0.00 30.24 29.98 1xee n GLN 58 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1xee n PHE 59 N 3.02 0.00 0.00 3.69 1.16 -1.24 -3.31 117.46 120.79 1xee n PHE 59 Ca 0.71 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 56.29 1xee n PHE 59 Cb 0.25 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.12 1xee n PHE 59 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1xee n GLU 60 N 0.00 0.00 -3.87 3.97 2.13 -1.12 -4.58 120.64 117.16 1xee n GLU 60 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1xee n GLU 60 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 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 -0.58 1.40 0.04 5.31 -2.85 -1.05 -0.67 119.74 121.33 1xee s LYS 61 Ca 0.00 -1.05 -0.06 0.00 -1.00 0.00 0.00 55.97 53.86 1xee s LYS 61 Cb 0.00 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 1xee s LYS 61 CO 0.00 -0.58 0.11 0.00 0.10 0.00 0.00 175.35 174.99 1xee s MET 62 N -3.94 0.62 -0.20 1.78 0.23 -0.24 -0.09 119.30 117.47 1xee s MET 62 Ca 0.15 -0.76 0.01 0.00 -1.03 0.00 0.00 55.69 54.06 1xee s MET 62 Cb -0.00 0.25 0.03 0.00 -1.53 0.00 0.00 34.83 33.58 1xee s MET 62 CO 0.02 -0.16 -0.14 0.08 -2.03 0.00 0.00 175.02 172.78 1xee s VAL 63 N -2.71 1.87 -0.31 5.16 1.01 0.65 -1.83 120.40 124.24 1xee s VAL 63 Ca -0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 1xee s VAL 63 Cb -0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1xee s VAL 63 CO -0.05 0.30 0.40 -0.63 0.00 0.00 0.00 175.10 175.12 1xee s ILE 64 N 1.32 5.14 -0.32 2.22 1.01 -0.47 -0.92 121.20 129.18 1xee s ILE 64 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 1xee s ILE 64 Cb -0.15 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.56 1xee s ILE 64 CO -0.10 -0.00 0.07 -0.76 0.00 0.00 0.00 174.94 174.16 1xee s LEU 65 N 2.12 4.11 0.38 2.97 1.43 0.12 -2.22 118.68 127.59 1xee s LEU 65 Ca 0.15 -1.08 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 1xee s LEU 65 Cb -0.16 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1xee s LEU 65 CO 0.11 -0.28 0.04 0.42 0.23 0.00 0.00 176.35 176.87 1xee s THR 66 N 1.39 2.27 0.77 5.49 -4.23 -0.72 -1.01 115.64 119.59 1xee s THR 66 Ca -0.02 -1.95 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 1xee s THR 66 Cb -0.19 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.73 1xee s THR 66 CO 0.02 -0.08 0.49 -0.62 -0.54 0.00 0.00 174.62 173.89 1xee n GLU 67 N -1.01 0.18 0.00 3.99 1.02 -0.87 -3.33 120.64 120.61 1xee n GLU 67 Ca -0.04 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1xee n GLU 67 Cb 0.65 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 -0.46 0.00 -3.07 1.62 3.02 -1.13 -3.34 115.26 111.89 1xee n ASN 68 Ca 0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.46 1xee n ASN 68 Cb 0.51 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 1xee n ASN 68 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1xee n LYS 69 N 0.00 0.80 -3.86 3.52 3.00 -1.26 -4.58 118.16 115.78 1xee n LYS 69 Ca 0.00 -2.87 -0.33 0.00 -0.00 0.00 0.00 58.31 55.11 1xee n LYS 69 Cb 0.00 -1.35 -0.12 0.00 0.00 0.00 0.00 35.03 33.55 1xee n LYS 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1xee s GLY 70 N -1.56 2.37 -0.40 3.14 0.00 -1.21 -4.85 107.32 104.81 1xee s GLY 70 Ca 0.34 -3.12 0.03 0.00 0.00 0.00 0.00 44.72 41.98 1xee s GLY 70 CO -0.13 1.04 0.13 -0.19 0.00 0.00 0.00 173.10 173.95 1xee s TYR 71 N 0.05 3.60 -0.19 1.90 2.02 -1.24 -1.76 117.35 121.74 1xee s TYR 71 Ca 0.15 -2.99 0.01 0.00 -0.37 0.00 0.00 57.07 53.87 1xee s TYR 71 Cb -0.23 -2.94 0.03 0.00 -0.40 0.00 0.00 41.96 38.43 1xee s TYR 71 CO -0.03 -0.90 -0.15 0.71 -1.57 0.00 0.00 175.55 173.61 1xee s TYR 72 N 0.60 2.67 -0.37 2.71 2.02 -0.94 -4.98 117.35 119.06 1xee s TYR 72 Ca 0.12 -1.67 -0.15 0.00 -0.37 0.00 0.00 57.07 55.00 1xee s TYR 72 Cb -0.21 -1.80 -0.00 0.00 -0.40 0.00 0.00 41.96 39.54 1xee s TYR 72 CO -0.06 -0.78 0.32 0.99 -1.57 0.00 0.00 175.55 174.46 1xee s THR 73 N 1.32 5.21 -0.22 -0.71 2.01 -1.26 -1.37 115.64 120.62 1xee s THR 73 Ca 0.01 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1xee s THR 73 Cb -0.15 -3.84 0.05 0.00 0.01 0.00 0.00 72.50 68.57 1xee s THR 73 CO -0.10 -0.15 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.88 1xee s VAL 74 N 1.88 1.79 -0.83 3.82 1.01 -0.76 -5.02 120.40 122.29 1xee s VAL 74 Ca 0.09 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.65 1xee s VAL 74 Cb -0.17 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1xee s VAL 74 CO 0.11 0.12 1.27 -0.31 0.00 0.00 0.00 175.10 176.29 1xee s TYR 75 N 1.32 2.50 0.18 5.22 1.51 -1.26 -1.08 117.35 125.74 1xee s TYR 75 Ca -0.03 -0.51 0.08 0.00 -1.01 0.00 0.00 57.07 55.60 1xee s TYR 75 Cb -0.17 -4.56 0.43 0.00 -0.11 0.00 0.00 41.96 37.55 1xee s TYR 75 CO -0.08 -1.91 1.08 -0.07 -1.11 0.00 0.00 175.55 173.47 1xee h LEU 76 N 12.43 0.00 -0.65 -1.29 3.38 -1.24 -1.32 115.31 126.63 1xee h LEU 76 Ca -0.09 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 1xee h LEU 76 Cb 1.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1xee h LEU 76 CO 1.29 0.00 -0.66 -1.13 0.09 0.00 0.00 178.44 178.04 1xee h ASN 77 N 0.00 0.11 -3.65 -0.43 -0.73 -1.75 -3.44 115.58 105.68 1xee h ASN 77 Ca 0.00 -0.07 -0.67 0.00 1.87 0.00 0.00 56.30 57.43 1xee h ASN 77 Cb 1.00 -0.03 -0.18 0.00 0.27 0.00 0.00 38.32 39.38 1xee h ASN 77 CO 0.00 0.73 -0.80 0.42 -0.37 0.00 0.00 177.43 177.42 1xee s THR 78 N -3.58 2.85 0.15 -3.57 -4.23 -0.50 -5.11 115.64 101.66 1xee s THR 78 Ca -0.02 -1.54 -0.30 0.00 -1.18 0.00 0.00 61.69 58.65 1xee s THR 78 Cb 0.12 -2.32 -0.07 0.00 1.34 0.00 0.00 72.50 71.57 1xee s THR 78 CO 0.78 0.08 1.02 -2.16 -0.54 0.00 0.00 174.62 173.80 1xee s PRO 79 N -2.21 4.67 -0.40 3.99 0.05 -1.26 -4.84 135.00 134.99 1xee s PRO 79 Ca 0.19 1.58 -0.27 0.00 0.05 0.00 0.00 61.00 62.54 1xee s PRO 79 Cb -0.10 -3.32 -0.04 0.00 0.05 0.00 0.00 34.50 31.08 1xee s PRO 79 CO 0.10 0.18 2.08 -1.17 0.05 0.00 0.00 177.00 178.25 1xee s LEU 80 N -0.28 3.42 0.32 -3.56 2.96 -1.26 -5.00 118.68 115.28 1xee s LEU 80 Ca 0.47 1.21 -0.25 0.00 -0.22 0.00 0.00 54.13 55.34 1xee s LEU 80 Cb -0.26 -3.06 -0.15 0.00 0.50 0.00 0.00 46.19 43.22 1xee s LEU 80 CO 0.32 -2.21 0.57 0.00 -1.32 0.00 0.00 176.35 173.71 1xee n ALA 81 N 12.62 -1.85 0.27 5.97 0.00 -1.26 -4.78 120.51 131.47 1xee n ALA 81 Ca 0.28 0.29 0.12 0.00 0.00 0.00 0.00 53.44 54.13 1xee n ALA 81 Cb 0.49 -1.74 0.76 0.00 0.00 0.00 0.00 19.45 18.97 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 1.05 0.00 -0.50 0.00 4.11 -1.98 -0.72 114.58 116.54 1xee h GLU 82 Ca -0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.07 1xee h GLU 82 Cb 1.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1xee h GLU 82 CO 0.54 0.08 0.30 0.22 0.07 0.00 0.00 179.01 180.22 1xee h ASP 83 N 0.00 0.60 1.31 3.06 3.58 -1.98 -0.19 116.42 122.80 1xee h ASP 83 Ca -0.00 -0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.30 1xee h ASP 83 Cb 0.19 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1xee h ASP 83 CO 0.01 0.49 -0.72 0.03 -2.88 0.00 0.00 179.24 176.17 1xee h ARG 84 N 0.67 0.00 -0.19 0.28 3.08 -1.56 -3.04 114.38 113.61 1xee h ARG 84 Ca 0.18 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.09 1xee h ARG 84 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1xee h ARG 84 CO -0.03 0.30 -0.48 0.87 -1.07 0.00 0.00 179.97 179.56 1xee h LYS 85 N 0.00 0.50 -0.94 0.04 1.57 0.07 -2.12 116.57 115.69 1xee h LYS 85 Ca -0.04 -0.28 -0.30 0.00 -1.87 0.00 0.00 60.65 58.15 1xee h LYS 85 Cb 1.32 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 33.47 1xee h LYS 85 CO 0.04 0.87 0.38 -1.71 -0.57 0.00 0.00 179.45 178.47 1xee n ASN 86 N -3.99 3.71 -4.65 0.86 5.15 -0.22 -2.46 115.26 113.67 1xee n ASN 86 Ca -0.02 -3.07 -0.36 0.00 -0.60 0.00 0.00 54.58 50.53 1xee n ASN 86 Cb 0.56 -0.72 -0.10 0.00 -0.53 0.00 0.00 39.78 38.99 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 -2.35 5.25 -0.13 3.44 1.01 -0.80 -4.95 120.40 121.87 1xee s VAL 87 Ca 0.41 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 1xee s VAL 87 Cb 0.34 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1xee s VAL 87 CO 0.09 0.36 0.28 -1.61 0.00 0.00 0.00 175.10 174.22 1xee s GLU 88 N 0.98 4.05 -0.04 2.72 2.02 -1.26 -0.00 118.70 127.17 1xee s GLU 88 Ca 0.07 0.10 -0.26 0.00 0.02 0.00 0.00 54.97 54.90 1xee s GLU 88 Cb -0.13 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 1xee s GLU 88 CO 0.04 0.42 0.80 -0.51 0.02 0.00 0.00 175.26 176.03 1xee s LEU 89 N -0.08 4.34 0.00 1.80 1.43 0.93 -4.93 118.68 122.16 1xee s LEU 89 Ca 0.17 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1xee s LEU 89 Cb -0.13 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.82 1xee s LEU 89 CO 0.05 -0.17 0.31 0.18 0.23 0.00 0.00 176.35 176.96 1xee n LEU 90 N 3.83 0.00 0.00 1.79 4.32 -1.26 -4.83 117.00 120.85 1xee n LEU 90 Ca 0.01 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1xee n LEU 90 Cb 0.51 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1xee n LEU 90 CO 0.49 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 1xee n GLY 91 N -0.81 -1.51 3.74 -0.72 0.00 -1.26 -4.55 105.19 100.09 1xee n GLY 91 Ca 0.00 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.87 4.72 -0.63 1.61 1.02 -1.26 -4.65 119.74 118.68 1xee s LYS 92 Ca 0.00 1.42 -0.31 0.00 0.02 0.00 0.00 55.97 57.10 1xee s LYS 92 Cb 0.00 -3.34 -0.14 0.00 -0.52 0.00 0.00 37.83 33.83 1xee s LYS 92 CO 0.00 0.33 2.45 -0.12 -0.92 0.00 0.00 175.35 177.09 1xee n MET 93 N 2.35 0.65 -0.03 1.68 0.00 -1.26 -2.06 117.12 118.45 1xee n MET 93 Ca 0.00 0.07 -0.09 0.00 -0.00 0.00 0.00 57.70 57.69 1xee n MET 93 Cb 0.49 -2.44 -0.07 0.00 0.00 0.00 0.00 33.22 31.19 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 14.70 -0.05 -2.35 1.12 3.20 -1.54 0.06 116.97 132.10 1xee h TYR 94 Ca -0.18 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.61 1xee h TYR 94 Cb 1.30 0.02 -0.21 0.00 1.54 0.00 0.00 36.73 39.38 1xee h TYR 94 CO 1.01 0.48 0.00 0.15 -1.64 0.00 0.00 178.16 178.16 1xee s LYS 95 N -2.31 0.83 -0.16 1.82 -0.14 -0.18 -2.63 119.74 116.96 1xee s LYS 95 Ca -0.11 0.38 -0.00 0.00 -1.36 0.00 0.00 55.97 54.87 1xee s LYS 95 Cb -0.01 0.39 0.04 0.00 -1.68 0.00 0.00 37.83 36.57 1xee s LYS 95 CO 0.41 -0.20 -0.07 0.99 -0.76 0.00 0.00 175.35 175.72 1xee s THR 96 N -0.64 1.21 -0.32 2.17 2.01 0.25 -0.70 115.64 119.63 1xee s THR 96 Ca -0.07 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 1xee s THR 96 Cb -0.03 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.18 1xee s THR 96 CO 0.05 0.20 0.10 -0.31 -0.69 0.00 0.00 174.62 173.97 1xee s TYR 97 N 1.60 3.20 -0.17 4.92 2.02 -0.10 -0.62 117.35 128.20 1xee s TYR 97 Ca 0.01 -1.17 -0.10 0.00 -0.37 0.00 0.00 57.07 55.44 1xee s TYR 97 Cb -0.15 -2.27 -0.05 0.00 -0.40 0.00 0.00 41.96 39.09 1xee s TYR 97 CO -0.08 -0.65 0.16 -0.06 -1.57 0.00 0.00 175.55 173.35 1xee s PHE 98 N 1.46 3.47 -0.31 2.71 0.40 0.53 -0.25 117.98 125.98 1xee s PHE 98 Ca 0.01 0.44 -0.03 0.00 -0.60 0.00 0.00 56.93 56.75 1xee s PHE 98 Cb -0.18 -2.14 0.05 0.00 0.51 0.00 0.00 43.02 41.26 1xee s PHE 98 CO 0.03 0.40 0.03 -0.06 0.70 0.00 0.00 175.22 176.31 1xee s PHE 99 N 0.00 3.28 0.63 0.36 0.08 0.87 0.61 117.98 123.82 1xee s PHE 99 Ca 0.11 -1.84 -0.15 0.00 0.12 0.00 0.00 56.93 55.17 1xee s PHE 99 Cb -0.12 -2.20 -0.02 0.00 -0.57 0.00 0.00 43.02 40.12 1xee s PHE 99 CO 0.01 -0.80 1.09 0.15 -0.10 0.00 0.00 175.22 175.56 1xee s LYS 100 N 1.27 3.04 -0.84 0.44 1.02 -1.26 -2.54 119.74 120.87 1xee s LYS 100 Ca -0.04 1.31 -0.25 0.00 0.02 0.00 0.00 55.97 57.01 1xee s LYS 100 Cb -0.20 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1xee s LYS 100 CO -0.01 -1.05 1.72 0.21 -0.92 0.00 0.00 175.35 175.30 1xee s LYS 101 N -4.07 2.90 0.00 1.68 2.47 -1.21 -0.80 119.74 120.70 1xee s LYS 101 Ca 0.66 -0.26 0.00 0.00 -1.56 0.00 0.00 55.97 54.81 1xee s LYS 101 Cb -0.19 -4.84 0.00 0.00 -1.46 0.00 0.00 37.83 31.34 1xee s LYS 101 CO 0.39 -2.78 0.00 0.41 0.16 0.00 0.00 175.35 173.53 1xee n GLY 102 N 6.37 1.46 3.56 5.54 0.00 -1.26 -5.00 105.19 115.87 1xee n GLY 102 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1xee n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xee s GLU 103 N 0.00 3.62 0.00 1.61 0.41 0.02 -4.92 118.70 119.44 1xee s GLU 103 Ca 0.00 -0.04 0.19 0.00 -0.41 0.00 0.00 54.97 54.71 1xee s GLU 103 Cb 0.00 -3.82 0.86 0.00 -1.78 0.00 0.00 34.13 29.39 1xee s GLU 103 CO 0.00 -0.75 1.59 0.43 -0.49 0.00 0.00 175.26 176.05 1xee n SER 104 N 6.00 0.94 -4.55 -0.19 7.64 -1.26 -4.31 113.62 117.89 1xee n SER 104 Ca -0.02 -1.61 -0.30 0.00 1.01 0.00 0.00 58.87 57.95 1xee n SER 104 Cb 0.49 -0.06 -0.11 0.00 -1.01 0.00 0.00 64.21 63.52 1xee n SER 104 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1xee s LYS 105 N -1.88 2.18 -0.34 1.43 2.47 -1.26 -5.08 119.74 117.26 1xee s LYS 105 Ca 0.29 -0.97 -0.31 0.00 -1.56 0.00 0.00 55.97 53.42 1xee s LYS 105 Cb 0.15 -2.31 -0.09 0.00 -1.46 0.00 0.00 37.83 34.12 1xee s LYS 105 CO 0.23 0.53 2.25 0.45 0.16 0.00 0.00 175.35 178.97 1xee n SER 106 N 1.06 2.50 0.06 1.43 2.88 -1.26 -4.61 113.62 115.67 1xee n SER 106 Ca -0.15 0.22 -0.03 0.00 -1.33 0.00 0.00 58.87 57.58 1xee n SER 106 Cb 0.52 -1.40 -0.08 0.00 -0.75 0.00 0.00 64.21 62.51 1xee n SER 106 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1xee h SER 107 N 14.21 0.00 -3.91 -3.46 0.02 -0.20 -3.47 113.55 116.73 1xee h SER 107 Ca -0.31 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.56 1xee h SER 107 Cb 1.29 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.60 1xee h SER 107 CO 1.03 0.75 -0.05 -0.47 -1.14 0.00 0.00 176.83 176.94 1xee s TYR 108 N -2.81 -0.63 -0.06 3.45 5.04 -1.04 -4.98 117.35 116.31 1xee s TYR 108 Ca -0.00 1.53 0.04 0.00 -2.44 0.00 0.00 57.07 56.19 1xee s TYR 108 Cb 0.09 0.22 -0.00 0.00 0.35 0.00 0.00 41.96 42.62 1xee s TYR 108 CO 0.80 -0.30 -0.19 0.54 -1.34 0.00 0.00 175.55 175.05 1xee s VAL 109 N 0.34 1.62 -0.17 3.14 0.11 -1.26 -0.35 120.40 123.84 1xee s VAL 109 Ca -0.00 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.19 1xee s VAL 109 Cb -0.04 -1.41 -0.03 0.00 -1.53 0.00 0.00 36.38 33.37 1xee s VAL 109 CO 0.00 0.46 0.02 -0.63 -3.33 0.00 0.00 175.10 171.62 1xee s ILE 110 N 0.22 4.37 0.22 7.04 1.01 0.21 -4.96 121.20 129.31 1xee s ILE 110 Ca -0.10 -0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.18 1xee s ILE 110 Cb -0.14 -2.95 -0.08 0.00 0.01 0.00 0.00 42.46 39.30 1xee s ILE 110 CO 0.04 0.48 0.70 0.54 0.00 0.00 0.00 174.94 176.71 1xee s ASN 111 N 0.36 7.02 0.32 3.58 4.22 -1.26 -0.58 114.94 128.60 1xee s ASN 111 Ca -0.00 1.38 0.03 0.00 -2.14 0.00 0.00 52.86 52.12 1xee s ASN 111 Cb -0.13 -2.40 -0.05 0.00 1.28 0.00 0.00 41.25 39.95 1xee s ASN 111 CO 0.01 0.03 0.10 -0.83 -2.04 0.00 0.00 177.10 174.38 1xee s GLY 112 N -1.67 2.09 0.52 0.45 0.00 -1.08 -4.98 107.32 102.65 1xee s GLY 112 Ca 0.43 -1.78 0.29 0.00 0.00 0.00 0.00 44.72 43.66 1xee s GLY 112 CO 0.21 -1.72 2.00 -2.55 0.00 0.00 0.00 173.10 171.04 1xee h PRO 113 N 2.14 0.00 -0.93 2.90 0.11 -1.77 -3.43 132.00 131.01 1xee h PRO 113 Ca -0.38 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 1xee h PRO 113 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xee h PRO 113 CO 0.62 0.12 0.10 0.41 -0.21 0.00 0.00 178.00 179.03 1xee n GLY 114 N -0.28 0.02 0.10 -0.55 0.00 -0.02 -4.94 105.19 99.51 1xee n GLY 114 Ca -0.01 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 1xee n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xee h LYS 115 N 0.75 0.00 -5.24 1.61 1.57 -1.86 -3.41 116.57 109.99 1xee h LYS 115 Ca -0.07 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 58.32 1xee h LYS 115 Cb 0.21 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.34 1xee h LYS 115 CO 0.15 1.00 -0.76 -0.08 -0.57 0.00 0.00 179.45 179.20 1xee s THR 116 N -2.34 1.14 -0.18 -0.16 -1.32 -1.26 -5.05 115.64 106.47 1xee s THR 116 Ca -0.27 -1.57 0.20 0.00 -1.21 0.00 0.00 61.69 58.83 1xee s THR 116 Cb 0.05 -1.34 -0.07 0.00 -1.51 0.00 0.00 72.50 69.63 1xee s THR 116 CO 0.61 -0.41 0.93 -3.20 -2.21 0.00 0.00 174.62 170.34 1xee n ASN 117 N 0.76 0.85 0.00 8.08 4.05 -1.26 -3.29 115.26 124.45 1xee n ASN 117 Ca -0.17 0.35 0.00 0.00 0.45 0.00 0.00 54.58 55.21 1xee n ASN 117 Cb 0.56 0.32 0.00 0.00 1.23 0.00 0.00 39.78 41.89 1xee n ASN 117 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1xee n GLU 118 N -2.78 0.00 -3.53 1.20 -0.58 -1.26 -3.95 120.64 109.74 1xee n GLU 118 Ca -0.05 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.54 1xee n GLU 118 Cb 0.70 -0.40 -0.12 0.00 -0.57 0.00 0.00 31.44 31.05 1xee n GLU 118 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1xee s TYR 119 N -0.09 -0.44 -1.12 -0.32 1.13 -1.26 -2.86 117.35 112.40 1xee s TYR 119 Ca 0.00 0.61 -0.11 0.00 -1.41 0.00 0.00 57.07 56.17 1xee s TYR 119 Cb 0.00 -0.17 -0.07 0.00 -1.10 0.00 0.00 41.96 40.62 1xee s TYR 119 CO 0.00 -0.54 2.29 0.00 -2.51 0.00 0.00 175.55 174.79 1xee n ALA 120 N 5.34 5.20 0.15 9.51 0.00 -1.26 -4.82 120.51 134.63 1xee n ALA 120 Ca -0.05 -2.81 0.02 0.00 0.00 0.00 0.00 53.44 50.60 1xee n ALA 120 Cb 0.50 -3.27 0.01 0.00 0.00 0.00 0.00 19.45 16.69 1xee n ALA 120 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48