#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oxg s ALA 4 N 0.00 3.07 -0.56 -1.67 0.00 -1.25 -4.67 121.76 116.67 2oxg s ALA 4 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2oxg s ALA 4 Cb 0.00 -3.94 0.15 0.00 0.00 0.00 0.00 23.12 19.33 2oxg s ALA 4 CO 0.00 -2.39 0.38 0.21 0.00 0.00 0.00 175.76 173.97 2oxg s LYS 5 N 4.79 2.46 0.03 0.00 2.47 -1.26 -4.91 119.74 123.32 2oxg s LYS 5 Ca 0.55 -2.25 -0.30 0.00 -1.56 0.00 0.00 55.97 52.41 2oxg s LYS 5 Cb -0.11 -3.75 -0.07 0.00 -1.46 0.00 0.00 37.83 32.44 2oxg s LYS 5 CO 0.32 -1.16 1.65 -2.14 0.16 0.00 0.00 175.35 174.18 2oxg s PRO 6 N 0.44 4.20 -0.08 4.03 0.02 -1.26 -3.72 135.00 138.62 2oxg s PRO 6 Ca 0.13 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.43 2oxg s PRO 6 Cb -0.21 -3.72 0.03 0.00 0.02 0.00 0.00 34.50 30.61 2oxg s PRO 6 CO -0.04 -0.76 -0.04 1.03 -0.33 0.00 0.00 177.00 176.87 2oxg s ARG 7 N 3.06 0.99 0.00 5.54 0.52 -0.23 -5.03 118.95 123.80 2oxg s ARG 7 Ca 0.74 -0.06 0.07 0.00 -0.52 0.00 0.00 55.73 55.95 2oxg s ARG 7 Cb -0.38 -1.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.89 2oxg s ARG 7 CO 0.32 -0.25 -0.21 0.14 0.02 0.00 0.00 175.30 175.32 2oxg s VAL 8 N 1.69 1.66 -0.25 3.52 -7.23 -1.26 -0.63 120.40 117.90 2oxg s VAL 8 Ca 0.02 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2oxg s VAL 8 Cb -0.13 -1.40 0.03 0.00 0.56 0.00 0.00 36.38 35.44 2oxg s VAL 8 CO -0.05 0.38 -0.06 -1.59 -0.31 0.00 0.00 175.10 173.47 2oxg s LYS 9 N -0.71 2.75 -0.19 4.82 -2.85 0.32 -5.01 119.74 118.86 2oxg s LYS 9 Ca 0.08 -1.04 -0.11 0.00 -1.00 0.00 0.00 55.97 53.90 2oxg s LYS 9 Cb -0.08 -3.00 0.06 0.00 -2.06 0.00 0.00 37.83 32.75 2oxg s LYS 9 CO 0.00 -0.44 0.47 0.54 0.10 0.00 0.00 175.35 176.02 2oxg s VAL 10 N 1.30 -0.02 0.34 1.79 0.11 -1.26 -1.38 120.40 121.28 2oxg s VAL 10 Ca -0.01 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 58.86 2oxg s VAL 10 Cb -0.17 -0.69 -0.14 0.00 -1.53 0.00 0.00 36.38 33.85 2oxg s VAL 10 CO -0.04 0.03 0.68 -2.65 -3.33 0.00 0.00 175.10 169.79 2oxg n PRO 11 N 4.23 0.70 0.21 1.54 -0.02 -1.26 -4.88 135.00 135.52 2oxg n PRO 11 Ca -0.22 0.25 0.09 0.00 -2.02 0.00 0.00 63.50 61.60 2oxg n PRO 11 Cb 0.56 -1.51 0.39 0.00 -0.02 0.00 0.00 33.50 32.92 2oxg n PRO 11 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2oxg h SER 12 N 1.20 0.00 -5.13 2.55 4.64 -1.95 -3.46 113.55 111.41 2oxg h SER 12 Ca -0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 2oxg h SER 12 Cb 1.39 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.33 2oxg h SER 12 CO 0.55 0.25 -0.38 -0.94 -0.87 0.00 0.00 176.83 175.45 2oxg s SER 13 N -6.23 0.09 0.08 4.97 1.04 -1.26 -0.75 113.70 111.64 2oxg s SER 13 Ca 0.01 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 55.79 2oxg s SER 13 Cb 0.10 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2oxg s SER 13 CO 0.65 -0.67 0.21 0.00 0.98 0.00 0.00 173.24 174.41 2oxg s ALA 14 N -3.42 -0.32 0.37 5.32 0.00 -0.27 -4.91 121.76 118.53 2oxg s ALA 14 Ca 0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 2oxg s ALA 14 Cb 0.03 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.51 2oxg s ALA 14 CO -0.09 -0.49 1.02 0.15 0.00 0.00 0.00 175.76 176.36 2oxg s LYS 15 N -3.56 4.30 0.16 0.00 3.01 -1.26 -4.26 119.74 118.13 2oxg s LYS 15 Ca 0.03 1.47 -0.31 0.00 -1.01 0.00 0.00 55.97 56.14 2oxg s LYS 15 Cb 0.03 -2.63 -0.11 0.00 -1.01 0.00 0.00 37.83 34.12 2oxg s LYS 15 CO -0.09 -0.01 1.69 0.00 0.51 0.00 0.00 175.35 177.45 2oxg s ALA 16 N -1.64 3.83 0.00 5.17 0.00 -1.26 -1.54 121.76 126.32 2oxg s ALA 16 Ca 0.55 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.96 2oxg s ALA 16 Cb -0.21 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2oxg s ALA 16 CO 0.27 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2oxg n GLY 17 N 3.97 0.77 3.88 0.00 0.00 0.23 -4.95 105.19 109.09 2oxg n GLY 17 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2oxg n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2oxg s GLU 18 N -0.46 3.64 -0.14 1.61 -1.05 -0.59 -4.73 118.70 116.98 2oxg s GLU 18 Ca 0.00 0.58 -0.19 0.00 -0.15 0.00 0.00 54.97 55.21 2oxg s GLU 18 Cb 0.00 -2.20 -0.04 0.00 -0.44 0.00 0.00 34.13 31.45 2oxg s GLU 18 CO 0.00 -0.38 0.51 0.99 0.95 0.00 0.00 175.26 177.34 2oxg s THR 19 N -2.91 5.15 -0.09 1.83 2.01 -1.26 -1.64 115.64 118.72 2oxg s THR 19 Ca 0.53 1.01 0.02 0.00 0.31 0.00 0.00 61.69 63.56 2oxg s THR 19 Cb -0.11 -3.85 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2oxg s THR 19 CO 0.47 0.27 -0.15 0.54 -0.69 0.00 0.00 174.62 175.06 2oxg s VAL 20 N 0.94 2.96 -0.04 3.82 0.11 0.22 -4.96 120.40 123.46 2oxg s VAL 20 Ca 0.27 -0.73 -0.26 0.00 -2.93 0.00 0.00 61.98 58.34 2oxg s VAL 20 Cb -0.15 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 2oxg s VAL 20 CO 0.11 0.56 0.79 -0.89 -3.33 0.00 0.00 175.10 172.33 2oxg s THR 21 N -0.14 4.96 -0.11 5.04 2.01 -1.26 -0.33 115.64 125.81 2oxg s THR 21 Ca -0.01 1.64 0.01 0.00 0.31 0.00 0.00 61.69 63.64 2oxg s THR 21 Cb -0.14 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 2oxg s THR 21 CO 0.03 0.24 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.39 2oxg s VAL 22 N 0.77 3.18 -0.11 3.82 1.01 0.27 -4.59 120.40 124.74 2oxg s VAL 22 Ca 0.42 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2oxg s VAL 22 Cb -0.19 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.89 2oxg s VAL 22 CO 0.22 0.54 -0.20 -0.54 0.00 0.00 0.00 175.10 175.12 2oxg s LYS 23 N -0.02 2.72 -0.09 2.72 1.02 -0.48 -2.05 119.74 123.56 2oxg s LYS 23 Ca -0.03 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.22 2oxg s LYS 23 Cb -0.14 -2.17 0.02 0.00 -0.52 0.00 0.00 37.83 35.02 2oxg s LYS 23 CO 0.04 0.04 -0.11 0.00 -0.92 0.00 0.00 175.35 174.40 2oxg s ALA 24 N 0.69 1.39 0.06 5.17 0.00 0.40 -0.52 121.76 128.93 2oxg s ALA 24 Ca -0.12 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.37 2oxg s ALA 24 Cb -0.16 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 2oxg s ALA 24 CO 0.02 -0.14 -0.17 -1.17 0.00 0.00 0.00 175.76 174.30 2oxg s LEU 25 N 1.16 2.21 -0.01 0.00 2.96 0.19 -1.00 118.68 124.19 2oxg s LEU 25 Ca -0.05 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 2oxg s LEU 25 Cb -0.14 -0.75 0.01 0.00 0.50 0.00 0.00 46.19 45.80 2oxg s LEU 25 CO -0.02 0.06 0.17 -0.51 -1.32 0.00 0.00 176.35 174.72 2oxg s ILE 26 N -0.94 0.07 -0.14 6.68 2.07 -0.94 -1.06 121.20 126.94 2oxg s ILE 26 Ca 0.04 -0.59 -0.22 0.00 -1.41 0.00 0.00 60.65 58.47 2oxg s ILE 26 Cb -0.09 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 2oxg s ILE 26 CO 0.02 -0.32 0.68 -0.94 -1.91 0.00 0.00 174.94 172.46 2oxg s SER 27 N -1.21 6.84 -0.28 4.50 1.04 -1.24 -3.04 113.70 120.30 2oxg s SER 27 Ca -0.13 1.02 -0.21 0.00 0.48 0.00 0.00 55.95 57.11 2oxg s SER 27 Cb -0.07 -2.38 0.12 0.00 0.10 0.00 0.00 66.02 63.79 2oxg s SER 27 CO 0.02 -0.21 0.93 -2.28 0.98 0.00 0.00 173.24 172.67 2oxg s HIS 28 N 1.43 -0.63 0.38 5.02 5.04 -1.26 -3.93 115.29 121.34 2oxg s HIS 28 Ca 0.33 1.40 0.06 0.00 -1.54 0.00 0.00 55.06 55.31 2oxg s HIS 28 Cb -0.17 0.38 0.76 0.00 0.04 0.00 0.00 32.58 33.60 2oxg s HIS 28 CO 0.13 -0.31 2.00 1.57 -2.34 0.00 0.00 174.74 175.80 2oxg h LYS 29 N 5.22 0.69 -6.14 2.88 -0.00 -1.96 -1.25 116.57 116.01 2oxg h LYS 29 Ca -0.29 -0.04 -0.43 0.00 -0.00 0.00 0.00 60.65 59.89 2oxg h LYS 29 Cb 1.19 -0.16 0.04 0.00 -0.00 0.00 0.00 32.23 33.30 2oxg h LYS 29 CO 0.13 0.46 -0.83 -1.33 -0.00 0.00 0.00 179.45 177.88 2oxg n MET 30 N -4.46 -4.75 -1.65 0.07 2.81 -1.26 -4.60 117.12 103.28 2oxg n MET 30 Ca 0.07 0.59 -0.46 0.00 -1.81 0.00 0.00 57.70 56.10 2oxg n MET 30 Cb 0.13 -5.12 -0.04 0.00 -0.71 0.00 0.00 33.22 27.48 2oxg n MET 30 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2oxg n GLU 31 N -4.30 2.31 0.13 0.03 4.07 -1.01 -4.86 120.64 117.00 2oxg n GLU 31 Ca -0.29 0.82 -0.01 0.00 -0.06 0.00 0.00 57.16 57.63 2oxg n GLU 31 Cb 0.67 -2.81 0.11 0.00 -0.06 0.00 0.00 31.44 29.35 2oxg n GLU 31 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2oxg h SER 32 N 10.46 0.00 0.00 4.31 4.64 -1.86 0.43 113.55 131.53 2oxg h SER 32 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2oxg h SER 32 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2oxg h SER 32 CO 0.95 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 178.18 2oxg n GLY 33 N 0.65 0.73 5.90 -0.77 0.00 -1.24 -4.50 105.19 105.97 2oxg n GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2oxg n GLY 33 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oxg n GLN 34 N -2.00 0.00 0.00 1.61 6.02 -1.26 -4.72 117.38 117.03 2oxg n GLN 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2oxg n GLN 34 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2oxg n GLN 34 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2oxg n LEU 42 N 0.00 0.00 -4.57 1.08 -0.00 -1.26 -5.14 117.00 107.11 2oxg n LEU 42 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 2oxg n LEU 42 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 2oxg n LEU 42 CO 0.00 0.00 0.24 -0.63 -0.00 0.00 0.00 177.39 177.00 2oxg s ILE 43 N 0.00 5.01 0.38 1.47 1.01 -1.26 -5.02 121.20 122.79 2oxg s ILE 43 Ca 0.00 0.43 -0.28 0.00 0.00 0.00 0.00 60.65 60.80 2oxg s ILE 43 Cb 0.00 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.41 2oxg s ILE 43 CO 0.00 -0.18 1.48 -2.65 0.00 0.00 0.00 174.94 173.58 2oxg n PRO 44 N 5.74 2.63 -1.67 2.79 -0.02 -1.26 -3.59 135.00 139.61 2oxg n PRO 44 Ca -0.04 0.92 -0.43 0.00 -2.02 0.00 0.00 63.50 61.93 2oxg n PRO 44 Cb 0.49 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 2oxg n PRO 44 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2oxg n ARG 45 N 0.40 1.94 -3.27 -0.52 0.63 -1.26 -4.40 116.66 110.17 2oxg n ARG 45 Ca 0.02 0.68 -0.07 0.00 -0.92 0.00 0.00 57.85 57.56 2oxg n ARG 45 Cb 0.39 -2.22 -0.04 0.00 0.45 0.00 0.00 32.46 31.04 2oxg n ARG 45 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2oxg s SER 46 N -0.34 -0.14 0.30 6.15 0.15 0.14 -4.88 113.70 115.08 2oxg s SER 46 Ca 0.57 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 56.66 2oxg s SER 46 Cb -0.60 1.30 -0.06 0.00 -1.71 0.00 0.00 66.02 64.95 2oxg s SER 46 CO 0.61 -0.29 -0.03 0.27 1.20 0.00 0.00 173.24 175.00 2oxg s ILE 47 N 2.22 1.60 -0.02 6.45 -4.36 -1.26 -2.41 121.20 123.42 2oxg s ILE 47 Ca 0.12 -2.09 -0.30 0.00 -0.26 0.00 0.00 60.65 58.12 2oxg s ILE 47 Cb -0.11 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 40.99 2oxg s ILE 47 CO -0.20 -0.22 1.28 -0.63 0.24 0.00 0.00 174.94 175.42 2oxg s ILE 48 N -3.03 4.00 -1.33 8.37 1.01 -1.26 -0.19 121.20 128.77 2oxg s ILE 48 Ca 0.31 1.37 0.14 0.00 0.00 0.00 0.00 60.65 62.47 2oxg s ILE 48 Cb 0.05 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2oxg s ILE 48 CO 0.13 0.01 0.80 -0.46 0.00 0.00 0.00 174.94 175.42 2oxg n ASN 49 N 5.08 1.54 -3.58 3.58 2.04 0.28 -4.71 115.26 119.50 2oxg n ASN 49 Ca 0.12 -1.27 -0.16 0.00 -0.44 0.00 0.00 54.58 52.83 2oxg n ASN 49 Cb 0.45 0.43 -0.07 0.00 -2.53 0.00 0.00 39.78 38.07 2oxg n ASN 49 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 2oxg s ARG 50 N -1.68 0.93 -0.03 -3.83 3.52 -1.23 -1.20 118.95 115.44 2oxg s ARG 50 Ca 0.12 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.38 2oxg s ARG 50 Cb 0.11 0.45 0.01 0.00 -1.56 0.00 0.00 34.95 33.97 2oxg s ARG 50 CO 0.34 -0.21 -0.04 0.12 -0.81 0.00 0.00 175.30 174.71 2oxg s PHE 51 N -0.36 0.57 0.08 5.12 5.36 -0.37 -0.98 117.98 127.39 2oxg s PHE 51 Ca -0.05 -0.12 0.07 0.00 -0.96 0.00 0.00 56.93 55.86 2oxg s PHE 51 Cb -0.03 -0.49 -0.03 0.00 -0.34 0.00 0.00 43.02 42.13 2oxg s PHE 51 CO 0.05 -0.11 -0.18 0.95 -1.46 0.00 0.00 175.22 174.47 2oxg s THR 52 N 0.57 1.41 -0.07 0.12 -4.23 0.34 -0.28 115.64 113.51 2oxg s THR 52 Ca -0.07 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 2oxg s THR 52 Cb -0.10 -1.30 0.02 0.00 1.34 0.00 0.00 72.50 72.46 2oxg s THR 52 CO -0.00 -0.07 -0.11 0.00 -0.54 0.00 0.00 174.62 173.89 2oxg s GLU 54 N 0.87 1.27 -0.15 0.00 2.02 -0.18 -0.35 118.70 122.18 2oxg s GLU 54 Ca -0.11 -1.27 0.01 0.00 0.02 0.00 0.00 54.97 53.62 2oxg s GLU 54 Cb -0.15 -1.63 0.02 0.00 0.10 0.00 0.00 34.13 32.47 2oxg s GLU 54 CO 0.01 0.38 -0.16 -1.17 0.02 0.00 0.00 175.26 174.35 2oxg s LEU 55 N -2.04 1.78 -1.53 1.80 2.96 0.26 -0.69 118.68 121.22 2oxg s LEU 55 Ca 0.11 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 2oxg s LEU 55 Cb -0.10 -1.23 0.11 0.00 0.50 0.00 0.00 46.19 45.48 2oxg s LEU 55 CO 0.05 -0.03 0.75 0.59 -1.32 0.00 0.00 176.35 176.40 2oxg n ASN 56 N 4.65 -3.91 0.00 3.68 3.02 -0.34 -1.30 115.26 121.05 2oxg n ASN 56 Ca -0.18 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2oxg n ASN 56 Cb 0.50 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 2oxg n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2oxg n GLY 57 N -1.41 0.92 3.62 7.41 0.00 -1.26 -5.02 105.19 109.45 2oxg n GLY 57 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2oxg n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oxg s VAL 58 N -3.67 4.53 0.23 1.61 1.01 -0.42 -5.05 120.40 118.64 2oxg s VAL 58 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 2oxg s VAL 58 Cb 0.00 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 2oxg s VAL 58 CO 0.00 0.50 1.44 0.21 0.00 0.00 0.00 175.10 177.25 2oxg s ASN 59 N 0.13 6.67 -0.17 3.32 3.84 -1.26 -0.57 114.94 126.90 2oxg s ASN 59 Ca 0.03 2.63 -0.14 0.00 0.21 0.00 0.00 52.86 55.59 2oxg s ASN 59 Cb -0.13 -2.62 -0.05 0.00 -0.55 0.00 0.00 41.25 37.90 2oxg s ASN 59 CO 0.01 -0.70 -0.25 0.52 -2.79 0.00 0.00 177.10 173.89 2oxg n VAL 60 N 2.61 1.47 -4.03 -5.21 0.31 0.53 -4.85 118.33 109.15 2oxg n VAL 60 Ca 0.08 0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 64.47 2oxg n VAL 60 Cb 0.40 -2.34 -0.11 0.00 -0.91 0.00 0.00 33.84 30.89 2oxg n VAL 60 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2oxg s VAL 61 N -2.58 0.20 -0.16 2.52 -7.23 -1.06 -5.01 120.40 107.09 2oxg s VAL 61 Ca -0.23 -1.26 -0.05 0.00 -1.81 0.00 0.00 61.98 58.64 2oxg s VAL 61 Cb 0.04 -0.75 0.06 0.00 0.56 0.00 0.00 36.38 36.28 2oxg s VAL 61 CO 0.34 -0.67 0.09 -0.62 -0.31 0.00 0.00 175.10 173.93 2oxg s ASP 62 N -2.01 2.19 -0.22 4.85 -1.08 -1.26 -1.53 116.67 117.62 2oxg s ASP 62 Ca -0.07 -0.53 -0.04 0.00 -0.52 0.00 0.00 52.55 51.39 2oxg s ASP 62 Cb -0.03 -0.22 -0.01 0.00 -1.46 0.00 0.00 42.92 41.20 2oxg s ASP 62 CO -0.04 -0.34 -0.05 -0.69 0.52 0.00 0.00 175.17 174.57 2oxg s VAL 63 N 2.15 3.32 -0.08 1.11 1.01 0.62 -4.98 120.40 123.54 2oxg s VAL 63 Ca 0.02 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 2oxg s VAL 63 Cb -0.16 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2oxg s VAL 63 CO -0.08 0.43 0.86 0.00 0.00 0.00 0.00 175.10 176.31 2oxg s ALA 64 N 1.47 3.34 -0.17 5.51 0.00 -1.26 -1.23 121.76 129.42 2oxg s ALA 64 Ca 0.06 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 2oxg s ALA 64 Cb -0.14 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 2oxg s ALA 64 CO -0.04 -0.37 -0.13 0.42 0.00 0.00 0.00 175.76 175.64 2oxg s ILE 65 N 1.41 2.74 0.41 0.00 1.01 -0.34 -4.96 121.20 121.48 2oxg s ILE 65 Ca 0.44 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.43 2oxg s ILE 65 Cb -0.18 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 2oxg s ILE 65 CO 0.19 0.50 0.43 -1.81 0.00 0.00 0.00 174.94 174.25 2oxg s ASP 66 N 1.01 5.26 0.18 3.58 1.11 -1.26 -4.46 116.67 122.09 2oxg s ASP 66 Ca -0.01 -0.62 0.12 0.00 0.18 0.00 0.00 52.55 52.21 2oxg s ASP 66 Cb -0.15 -0.65 0.65 0.00 1.07 0.00 0.00 42.92 43.85 2oxg s ASP 66 CO -0.03 -0.65 1.36 -2.65 1.18 0.00 0.00 175.17 174.39 2oxg n PRO 67 N -1.62 0.08 0.00 8.23 -0.02 -1.26 -1.83 135.00 138.58 2oxg n PRO 67 Ca 0.04 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.25 2oxg n PRO 67 Cb 0.61 -1.76 0.74 0.00 -0.02 0.00 0.00 33.50 33.07 2oxg n PRO 67 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oxg n ALA 68 N -1.65 2.58 -1.77 3.55 0.00 -1.26 -4.76 120.51 117.20 2oxg n ALA 68 Ca -0.01 -0.18 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 2oxg n ALA 68 Cb 0.02 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 2oxg n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oxg s VAL 69 N -2.48 3.05 0.77 0.00 1.01 -0.76 -4.97 120.40 117.02 2oxg s VAL 69 Ca 0.31 0.91 -0.13 0.00 0.00 0.00 0.00 61.98 63.07 2oxg s VAL 69 Cb 0.20 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2oxg s VAL 69 CO 0.46 0.11 1.15 -0.94 0.00 0.00 0.00 175.10 175.88 2oxg s SER 70 N -1.01 4.09 0.38 3.32 1.04 -1.26 -4.97 113.70 115.28 2oxg s SER 70 Ca 0.56 2.15 -0.25 0.00 0.48 0.00 0.00 55.95 58.89 2oxg s SER 70 Cb -0.33 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.11 2oxg s SER 70 CO 0.41 -2.32 0.91 0.41 0.98 0.00 0.00 173.24 173.63 2oxg n THR 71 N -3.19 2.18 -3.28 2.02 -1.04 -1.26 -3.16 114.28 106.54 2oxg n THR 71 Ca 0.12 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.54 2oxg n THR 71 Cb 0.51 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 2oxg n THR 71 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2oxg n ASN 72 N 0.89 -6.90 -4.68 8.00 3.02 -0.47 -4.86 115.26 110.25 2oxg n ASN 72 Ca 0.10 -0.37 -0.43 0.00 -0.03 0.00 0.00 54.58 53.85 2oxg n ASN 72 Cb 0.37 -4.30 -0.01 0.00 -0.61 0.00 0.00 39.78 35.22 2oxg n ASN 72 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2oxg n PRO 73 N -2.16 2.07 -4.78 3.52 -0.02 -1.17 -4.64 135.00 127.82 2oxg n PRO 73 Ca -0.09 0.73 -0.27 0.00 -2.02 0.00 0.00 63.50 61.86 2oxg n PRO 73 Cb 0.56 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 2oxg n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2oxg s TYR 74 N -0.67 1.75 -0.02 6.00 5.04 -1.26 -2.21 117.35 125.98 2oxg s TYR 74 Ca 0.61 -0.64 0.02 0.00 -2.44 0.00 0.00 57.07 54.62 2oxg s TYR 74 Cb -0.60 -1.23 0.00 0.00 0.35 0.00 0.00 41.96 40.48 2oxg s TYR 74 CO 0.57 -0.29 -0.09 -0.06 -1.34 0.00 0.00 175.55 174.35 2oxg s PHE 75 N 0.46 0.91 -0.01 4.97 0.40 -0.17 -5.00 117.98 119.55 2oxg s PHE 75 Ca -0.13 -0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 2oxg s PHE 75 Cb -0.15 -0.64 -0.01 0.00 0.51 0.00 0.00 43.02 42.72 2oxg s PHE 75 CO 0.05 -0.08 -0.13 -2.00 0.70 0.00 0.00 175.22 173.76 2oxg s GLU 76 N 0.13 1.03 0.19 0.44 2.12 -1.26 -0.46 118.70 120.89 2oxg s GLU 76 Ca -0.02 -0.46 -0.22 0.00 0.36 0.00 0.00 54.97 54.63 2oxg s GLU 76 Cb -0.08 -0.99 0.07 0.00 0.26 0.00 0.00 34.13 33.39 2oxg s GLU 76 CO 0.00 0.27 1.01 -0.59 -0.54 0.00 0.00 175.26 175.41 2oxg s PHE 77 N -0.31 0.03 -0.10 5.30 -0.12 -0.87 -5.01 117.98 116.91 2oxg s PHE 77 Ca 0.05 -0.42 0.02 0.00 -0.05 0.00 0.00 56.93 56.53 2oxg s PHE 77 Cb -0.05 0.69 0.01 0.00 -0.63 0.00 0.00 43.02 43.05 2oxg s PHE 77 CO -0.00 -0.94 -0.16 -0.51 -0.05 0.00 0.00 175.22 173.55 2oxg s ASP 78 N -3.26 2.39 0.02 1.98 1.01 -1.26 -0.57 116.67 116.99 2oxg s ASP 78 Ca 0.19 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.05 2oxg s ASP 78 Cb -0.02 -1.08 -0.04 0.00 1.01 0.00 0.00 42.92 42.79 2oxg s ASP 78 CO 0.05 0.05 0.01 0.00 0.21 0.00 0.00 175.17 175.48 2oxg s ALA 79 N 0.79 3.31 -0.28 5.23 0.00 0.55 -4.93 121.76 126.42 2oxg s ALA 79 Ca -0.11 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 50.70 2oxg s ALA 79 Cb -0.16 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2oxg s ALA 79 CO 0.02 0.67 0.43 0.21 0.00 0.00 0.00 175.76 177.09 2oxg s LYS 80 N -1.78 3.96 -0.42 0.00 2.47 -1.26 -0.61 119.74 122.09 2oxg s LYS 80 Ca 0.22 0.08 -0.07 0.00 -1.56 0.00 0.00 55.97 54.63 2oxg s LYS 80 Cb -0.12 -3.68 0.09 0.00 -1.46 0.00 0.00 37.83 32.67 2oxg s LYS 80 CO 0.13 -0.36 0.25 0.08 0.16 0.00 0.00 175.35 175.61 2oxg s VAL 81 N 2.18 3.93 -0.13 4.02 1.01 -0.65 -4.90 120.40 125.86 2oxg s VAL 81 Ca 0.17 -1.64 0.21 0.00 0.00 0.00 0.00 61.98 60.72 2oxg s VAL 81 Cb -0.16 -3.50 -0.20 0.00 0.00 0.00 0.00 36.38 32.53 2oxg s VAL 81 CO 0.10 -0.58 0.64 0.47 0.00 0.00 0.00 175.10 175.73 2oxg n ASP 82 N 4.82 0.40 -3.89 3.32 8.00 -1.26 0.76 116.55 128.70 2oxg n ASP 82 Ca -0.08 0.16 -0.08 0.00 0.71 0.00 0.00 54.79 55.50 2oxg n ASP 82 Cb 0.42 1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 42.57 2oxg n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2oxg s ALA 83 N -3.22 -0.81 0.40 2.24 0.00 -1.26 -4.20 121.76 114.91 2oxg s ALA 83 Ca -0.05 -0.50 -0.27 0.00 0.00 0.00 0.00 51.96 51.14 2oxg s ALA 83 Cb 0.11 0.93 -0.09 0.00 0.00 0.00 0.00 23.12 24.07 2oxg s ALA 83 CO 0.85 -0.93 1.37 0.00 0.00 0.00 0.00 175.76 177.04 2oxg s ALA 84 N -3.95 3.35 0.00 0.00 0.00 -1.26 -4.79 121.76 115.11 2oxg s ALA 84 Ca 0.15 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2oxg s ALA 84 Cb -0.03 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2oxg s ALA 84 CO 0.06 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.30 2oxg n GLY 85 N 0.63 -1.26 3.58 0.00 0.00 -0.65 -4.99 105.19 102.49 2oxg n GLY 85 Ca 0.03 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2oxg n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oxg s GLU 86 N -1.09 3.42 0.17 1.61 2.02 -1.26 0.62 118.70 124.19 2oxg s GLU 86 Ca 0.00 -0.46 -0.26 0.00 0.02 0.00 0.00 54.97 54.27 2oxg s GLU 86 Cb 0.00 -2.89 -0.08 0.00 0.10 0.00 0.00 34.13 31.26 2oxg s GLU 86 CO 0.00 0.43 0.78 -0.06 0.02 0.00 0.00 175.26 176.43 2oxg s PHE 87 N -0.13 3.91 -0.10 1.61 0.40 0.60 -1.20 117.98 123.06 2oxg s PHE 87 Ca 0.04 1.65 0.02 0.00 -0.60 0.00 0.00 56.93 58.04 2oxg s PHE 87 Cb -0.13 -2.78 0.01 0.00 0.51 0.00 0.00 43.02 40.64 2oxg s PHE 87 CO 0.02 0.51 -0.17 0.21 0.70 0.00 0.00 175.22 176.49 2oxg s LYS 88 N -1.14 2.38 -0.13 0.44 2.20 0.13 -1.28 119.74 122.34 2oxg s LYS 88 Ca 0.36 -0.63 -0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2oxg s LYS 88 Cb -0.23 -1.95 -0.02 0.00 -1.51 0.00 0.00 37.83 34.12 2oxg s LYS 88 CO 0.27 0.01 -0.12 -0.06 -0.36 0.00 0.00 175.35 175.08 2oxg s PHE 89 N 0.79 2.83 -0.06 4.03 0.40 0.55 -1.02 117.98 125.51 2oxg s PHE 89 Ca -0.10 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 2oxg s PHE 89 Cb -0.16 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.55 2oxg s PHE 89 CO 0.01 -0.17 -0.06 0.99 0.70 0.00 0.00 175.22 176.70 2oxg s THR 90 N 0.28 0.70 -0.09 0.64 2.01 -0.24 -0.86 115.64 118.08 2oxg s THR 90 Ca -0.09 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2oxg s THR 90 Cb -0.15 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 2oxg s THR 90 CO 0.05 0.27 -0.13 0.26 -0.69 0.00 0.00 174.62 174.38 2oxg s TRP 91 N 0.98 2.78 -0.19 4.92 0.51 0.42 -0.50 118.94 127.86 2oxg s TRP 91 Ca -0.10 -0.37 -0.03 0.00 -2.12 0.00 0.00 56.10 53.47 2oxg s TRP 91 Cb -0.14 -1.75 -0.01 0.00 -0.81 0.00 0.00 33.47 30.76 2oxg s TRP 91 CO 0.00 0.01 -0.05 0.71 -0.51 0.00 0.00 176.95 177.11 2oxg s TYR 92 N -0.20 2.96 0.09 -1.98 1.51 -0.15 -1.08 117.35 118.50 2oxg s TYR 92 Ca 0.01 -0.71 -0.13 0.00 -1.01 0.00 0.00 57.07 55.22 2oxg s TYR 92 Cb -0.13 -2.04 -0.06 0.00 -0.11 0.00 0.00 41.96 39.61 2oxg s TYR 92 CO 0.03 -0.37 0.47 0.34 -1.11 0.00 0.00 175.55 174.91 2oxg s ASP 93 N 1.06 6.78 0.54 2.29 3.68 -0.14 -0.56 116.67 130.33 2oxg s ASP 93 Ca 0.01 0.97 0.32 0.00 2.13 0.00 0.00 52.55 55.98 2oxg s ASP 93 Cb -0.15 -2.25 1.48 0.00 -1.45 0.00 0.00 42.92 40.56 2oxg s ASP 93 CO 0.00 0.18 1.89 0.44 0.13 0.00 0.00 175.17 177.81 2oxg h ASP 94 N 3.90 0.00 -0.05 -0.34 3.32 -0.88 -1.81 116.42 120.56 2oxg h ASP 94 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2oxg h ASP 94 Cb 1.20 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2oxg h ASP 94 CO 0.65 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.27 2oxg n ASP 95 N -4.27 0.62 0.00 6.45 5.68 -1.26 -4.88 116.55 118.89 2oxg n ASP 95 Ca 0.19 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 2oxg n ASP 95 Cb 0.97 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.92 2oxg n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2oxg n GLY 96 N 0.95 1.59 3.84 6.12 0.00 -0.68 -5.06 105.19 111.95 2oxg n GLY 96 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2oxg n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oxg s SER 97 N -1.56 5.90 0.09 1.61 1.04 -1.26 -4.84 113.70 114.69 2oxg s SER 97 Ca 0.00 1.55 0.07 0.00 0.48 0.00 0.00 55.95 58.05 2oxg s SER 97 Cb 0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 2oxg s SER 97 CO 0.00 -1.09 -0.19 0.68 0.98 0.00 0.00 173.24 173.62 2oxg s VAL 98 N -3.00 1.54 -0.12 5.02 -7.23 -1.26 -0.97 120.40 114.38 2oxg s VAL 98 Ca 0.57 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.29 2oxg s VAL 98 Cb -0.12 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.41 2oxg s VAL 98 CO 0.50 -0.11 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.65 2oxg s TYR 99 N -1.21 2.53 0.01 2.82 2.02 -0.24 -4.99 117.35 118.30 2oxg s TYR 99 Ca 0.04 -1.20 0.05 0.00 -0.37 0.00 0.00 57.07 55.58 2oxg s TYR 99 Cb -0.10 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 2oxg s TYR 99 CO 0.04 -0.54 -0.14 -2.00 -1.57 0.00 0.00 175.55 171.34 2oxg s GLU 100 N 0.71 1.04 -0.03 -0.62 2.12 -1.26 -0.43 118.70 120.22 2oxg s GLU 100 Ca -0.10 -0.61 -0.01 0.00 0.36 0.00 0.00 54.97 54.60 2oxg s GLU 100 Cb -0.16 -1.03 0.03 0.00 0.26 0.00 0.00 34.13 33.23 2oxg s GLU 100 CO 0.01 0.27 0.07 0.34 -0.54 0.00 0.00 175.26 175.41 2oxg s ASP 101 N -0.68 -0.01 -0.06 -1.70 3.68 -0.04 -4.99 116.67 112.86 2oxg s ASP 101 Ca 0.04 0.14 0.05 0.00 2.13 0.00 0.00 52.55 54.90 2oxg s ASP 101 Cb -0.06 0.05 -0.00 0.00 -1.45 0.00 0.00 42.92 41.45 2oxg s ASP 101 CO 0.00 -0.11 -0.21 -0.69 0.13 0.00 0.00 175.17 174.29 2oxg s VAL 102 N 0.87 1.77 -0.12 1.11 1.01 -1.26 -0.33 120.40 123.44 2oxg s VAL 102 Ca -0.07 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 2oxg s VAL 102 Cb -0.10 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.82 2oxg s VAL 102 CO -0.03 0.50 0.29 -0.75 0.00 0.00 0.00 175.10 175.10 2oxg s LYS 103 N 0.10 0.23 0.62 2.72 2.20 -0.41 -4.99 119.74 120.21 2oxg s LYS 103 Ca -0.08 0.64 -0.13 0.00 -0.36 0.00 0.00 55.97 56.04 2oxg s LYS 103 Cb -0.14 -0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.08 2oxg s LYS 103 CO 0.04 -0.19 1.04 -1.25 -0.36 0.00 0.00 175.35 174.63 2oxg s PRO 104 N 1.57 3.36 -0.03 4.03 0.04 -1.26 -0.29 135.00 142.40 2oxg s PRO 104 Ca -0.07 0.97 0.04 0.00 0.04 0.00 0.00 61.00 61.98 2oxg s PRO 104 Cb -0.10 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2oxg s PRO 104 CO -0.09 -0.76 -0.17 -1.50 0.04 0.00 0.00 177.00 174.51 2oxg s ILE 105 N -2.86 1.37 -0.04 0.56 2.07 0.20 -4.85 121.20 117.66 2oxg s ILE 105 Ca 0.59 -0.70 -0.09 0.00 -1.41 0.00 0.00 60.65 59.03 2oxg s ILE 105 Cb -0.13 -1.17 -0.05 0.00 0.13 0.00 0.00 42.46 41.24 2oxg s ILE 105 CO 0.46 0.40 0.27 0.00 -1.91 0.00 0.00 174.94 174.16 2oxg s ALA 106 N -0.07 3.81 0.00 1.50 0.00 0.07 -1.64 121.76 125.43 2oxg s ALA 106 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2oxg s ALA 106 Cb -0.10 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.88 2oxg s ALA 106 CO 0.01 0.58 0.00 0.28 0.00 0.00 0.00 175.76 176.63 2oxg n VAL 107 N 1.67 0.00 -0.66 0.00 0.31 -1.26 -1.11 118.33 117.28 2oxg n VAL 107 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2oxg n VAL 107 Cb 0.53 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 2oxg n VAL 107 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51