#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxc s THR 2 N 0.00 2.19 0.09 0.00 2.01 -1.26 -5.02 115.64 113.65 1oxc s THR 2 Ca 0.00 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.19 1oxc s THR 2 Cb 0.00 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1oxc s THR 2 CO 0.00 0.03 -0.07 -1.10 -0.69 0.00 0.00 174.62 172.78 1oxc s GLN 3 N -2.38 0.78 0.00 4.92 -1.52 -1.26 -4.85 119.66 115.35 1oxc s GLN 3 Ca 0.59 -1.19 0.00 0.00 -1.95 0.00 0.00 55.36 52.82 1oxc s GLN 3 Cb -0.43 -0.29 0.00 0.00 -0.22 0.00 0.00 33.01 32.08 1oxc s GLN 3 CO 0.55 0.02 0.00 0.41 -0.25 0.00 0.00 175.29 176.02 1oxc n GLY 4 N 0.37 0.69 3.44 3.09 0.00 -1.26 -4.91 105.19 106.61 1oxc n GLY 4 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1oxc n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oxc s VAL 5 N -2.54 3.41 0.00 1.61 1.01 -1.26 -0.46 120.40 122.18 1oxc s VAL 5 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1oxc s VAL 5 Cb 0.00 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1oxc s VAL 5 CO 0.00 0.52 -0.06 -0.36 0.00 0.00 0.00 175.10 175.20 1oxc s PHE 6 N 0.25 0.49 -0.38 5.22 0.08 0.70 -5.01 117.98 119.34 1oxc s PHE 6 Ca -0.06 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 56.71 1oxc s PHE 6 Cb -0.15 -0.31 0.02 0.00 -0.57 0.00 0.00 43.02 42.01 1oxc s PHE 6 CO 0.04 -0.02 0.22 0.99 -0.10 0.00 0.00 175.22 176.35 1oxc s THR 7 N -0.35 4.73 0.36 0.64 2.01 -1.26 -0.98 115.64 120.79 1oxc s THR 7 Ca -0.00 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.28 1oxc s THR 7 Cb -0.03 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.85 1oxc s THR 7 CO -0.00 -0.23 0.51 -0.76 -0.69 0.00 0.00 174.62 173.45 1oxc s LEU 8 N 1.59 3.87 0.61 4.42 1.02 0.64 -5.01 118.68 125.82 1oxc s LEU 8 Ca 0.03 -0.22 -0.18 0.00 0.02 0.00 0.00 54.13 53.78 1oxc s LEU 8 Cb -0.19 -2.75 -0.03 0.00 0.02 0.00 0.00 46.19 43.24 1oxc s LEU 8 CO 0.07 -0.54 1.22 -2.84 0.02 0.00 0.00 176.35 174.29 1oxc s PRO 9 N -4.25 2.87 0.66 1.29 0.02 -1.26 -4.42 135.00 129.92 1oxc s PRO 9 Ca 0.48 1.85 -0.17 0.00 0.02 0.00 0.00 61.00 63.18 1oxc s PRO 9 Cb -0.10 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 1oxc s PRO 9 CO 0.32 -1.29 1.25 0.00 -0.33 0.00 0.00 177.00 176.95 1oxc s ALA 10 N -1.59 2.34 -1.35 -1.55 0.00 -1.26 -3.60 121.76 114.74 1oxc s ALA 10 Ca 0.78 1.07 -0.20 0.00 0.00 0.00 0.00 51.96 53.60 1oxc s ALA 10 Cb -0.31 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.33 1oxc s ALA 10 CO 0.35 -1.58 0.41 0.09 0.00 0.00 0.00 175.76 175.02 1oxc n ASN 11 N -2.08 -2.01 -4.12 0.00 3.02 0.30 -4.91 115.26 105.46 1oxc n ASN 11 Ca 0.15 -1.29 -0.26 0.00 -0.03 0.00 0.00 54.58 53.14 1oxc n ASN 11 Cb 0.49 -1.67 -0.16 0.00 -0.61 0.00 0.00 39.78 37.83 1oxc n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1oxc s THR 12 N -3.88 1.44 0.21 3.41 2.01 -1.24 -4.89 115.64 112.70 1oxc s THR 12 Ca 0.29 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 1oxc s THR 12 Cb -0.16 -1.25 -0.08 0.00 0.01 0.00 0.00 72.50 71.02 1oxc s THR 12 CO 0.98 0.42 1.07 -0.60 -0.69 0.00 0.00 174.62 175.80 1oxc s ARG 13 N 0.25 4.64 0.05 4.92 3.52 -1.26 -0.72 118.95 130.36 1oxc s ARG 13 Ca -0.09 1.70 -0.02 0.00 -0.13 0.00 0.00 55.73 57.20 1oxc s ARG 13 Cb -0.14 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1oxc s ARG 13 CO 0.04 0.17 -0.00 -0.59 -0.81 0.00 0.00 175.30 174.10 1oxc s PHE 14 N -0.60 0.46 -0.00 5.12 -0.71 0.32 -4.18 117.98 118.40 1oxc s PHE 14 Ca 0.47 -0.98 -0.01 0.00 -1.04 0.00 0.00 56.93 55.37 1oxc s PHE 14 Cb -0.29 -0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 41.14 1oxc s PHE 14 CO 0.36 -0.39 0.12 0.20 -1.34 0.00 0.00 175.22 174.17 1oxc s GLY 15 N -2.84 2.07 -0.04 1.99 0.00 -0.13 -0.98 107.32 107.39 1oxc s GLY 15 Ca 0.06 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.94 1oxc s GLY 15 CO -0.10 -0.73 -0.03 0.54 0.00 0.00 0.00 173.10 172.79 1oxc s VAL 16 N -1.25 0.41 -0.02 1.40 0.11 -0.37 -1.32 120.40 119.36 1oxc s VAL 16 Ca 0.25 -0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1oxc s VAL 16 Cb -0.12 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1oxc s VAL 16 CO 0.16 0.20 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.20 1oxc s THR 17 N 1.03 0.40 -0.02 5.04 2.01 -0.09 -1.13 115.64 122.89 1oxc s THR 17 Ca -0.09 -0.16 0.06 0.00 0.31 0.00 0.00 61.69 61.81 1oxc s THR 17 Cb -0.14 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 1oxc s THR 17 CO -0.01 0.14 -0.21 0.00 -0.69 0.00 0.00 174.62 173.85 1oxc s ALA 18 N 0.24 1.76 0.14 7.40 0.00 0.17 -0.61 121.76 130.85 1oxc s ALA 18 Ca -0.02 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.14 1oxc s ALA 18 Cb -0.06 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1oxc s ALA 18 CO -0.00 0.42 -0.26 -0.06 0.00 0.00 0.00 175.76 175.86 1oxc s PHE 19 N -0.47 2.25 0.00 0.00 0.40 0.51 -0.55 117.98 120.12 1oxc s PHE 19 Ca 0.07 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.10 1oxc s PHE 19 Cb -0.08 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.22 1oxc s PHE 19 CO -0.01 0.35 -0.25 0.00 0.70 0.00 0.00 175.22 176.01 1oxc s ALA 20 N -1.18 2.10 -0.44 5.36 0.00 -0.84 -0.74 121.76 126.02 1oxc s ALA 20 Ca 0.14 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 51.04 1oxc s ALA 20 Cb -0.10 -0.50 0.23 0.00 0.00 0.00 0.00 23.12 22.75 1oxc s ALA 20 CO 0.06 0.51 0.64 0.09 0.00 0.00 0.00 175.76 177.07 1oxc n ASN 21 N 2.24 -1.25 -3.53 0.00 3.02 -0.35 -1.55 115.26 113.84 1oxc n ASN 21 Ca -0.16 -2.88 -0.08 0.00 -0.03 0.00 0.00 54.58 51.42 1oxc n ASN 21 Cb 0.52 0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 40.07 1oxc n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1oxc s SER 22 N -1.04 -0.34 0.43 6.41 0.15 0.42 -3.88 113.70 115.85 1oxc s SER 22 Ca 0.33 0.09 0.24 0.00 0.70 0.00 0.00 55.95 57.32 1oxc s SER 22 Cb 0.16 0.34 0.75 0.00 -1.71 0.00 0.00 66.02 65.56 1oxc s SER 22 CO -0.16 -0.51 1.75 0.77 1.20 0.00 0.00 173.24 176.28 1oxc h SER 23 N 2.13 0.00 -3.65 5.45 4.64 -1.96 -3.35 113.55 116.81 1oxc h SER 23 Ca -0.20 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.62 1oxc h SER 23 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.28 1oxc h SER 23 CO 0.30 0.19 0.10 -0.83 -0.87 0.00 0.00 176.83 175.71 1oxc s GLY 24 N -4.28 2.45 -0.02 -0.77 0.00 -1.26 -4.94 107.32 98.50 1oxc s GLY 24 Ca 0.02 0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.53 1oxc s GLY 24 CO 0.64 0.36 1.23 -1.59 0.00 0.00 0.00 173.10 173.74 1oxc s THR 25 N -1.78 4.13 -0.08 0.90 2.01 -1.26 -4.72 115.64 114.84 1oxc s THR 25 Ca 0.49 1.48 -0.15 0.00 0.31 0.00 0.00 61.69 63.82 1oxc s THR 25 Cb -0.13 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1oxc s THR 25 CO 0.19 0.02 0.39 -1.10 -0.69 0.00 0.00 174.62 173.43 1oxc s GLN 26 N 2.01 4.12 -0.27 4.92 -1.52 0.25 -4.37 119.66 124.81 1oxc s GLN 26 Ca 0.58 0.32 0.02 0.00 -1.95 0.00 0.00 55.36 54.33 1oxc s GLN 26 Cb -0.27 -3.34 0.06 0.00 -0.22 0.00 0.00 33.01 29.24 1oxc s GLN 26 CO 0.24 0.41 -0.08 0.99 -0.25 0.00 0.00 175.29 176.59 1oxc s THR 27 N -0.13 2.38 -0.25 -0.19 2.01 -0.32 -1.73 115.64 117.41 1oxc s THR 27 Ca 0.22 -1.55 -0.08 0.00 0.31 0.00 0.00 61.69 60.60 1oxc s THR 27 Cb -0.15 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1oxc s THR 27 CO 0.10 -0.03 0.10 -0.69 -0.69 0.00 0.00 174.62 173.40 1oxc s VAL 28 N 1.15 4.55 -0.15 3.82 1.01 0.82 -1.36 120.40 130.23 1oxc s VAL 28 Ca -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1oxc s VAL 28 Cb -0.20 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1oxc s VAL 28 CO -0.04 0.32 -0.04 0.20 0.00 0.00 0.00 175.10 175.54 1oxc s ASN 29 N 1.59 4.77 -0.26 3.32 -0.87 0.29 -0.59 114.94 123.19 1oxc s ASN 29 Ca 0.06 -0.13 -0.04 0.00 -1.57 0.00 0.00 52.86 51.18 1oxc s ASN 29 Cb -0.15 -1.77 0.01 0.00 -0.02 0.00 0.00 41.25 39.32 1oxc s ASN 29 CO 0.05 0.17 0.00 -0.69 -2.57 0.00 0.00 177.10 174.07 1oxc s VAL 30 N 0.33 3.47 -0.14 1.60 1.01 0.22 -1.00 120.40 125.89 1oxc s VAL 30 Ca -0.04 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1oxc s VAL 30 Cb -0.14 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1oxc s VAL 30 CO 0.03 0.21 0.11 -0.76 0.00 0.00 0.00 175.10 174.69 1oxc s LEU 31 N 1.44 4.19 -0.19 3.92 1.43 0.12 -0.03 118.68 129.56 1oxc s LEU 31 Ca 0.03 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1oxc s LEU 31 Cb -0.16 -2.03 0.04 0.00 0.03 0.00 0.00 46.19 44.06 1oxc s LEU 31 CO -0.01 0.33 -0.13 -0.69 0.23 0.00 0.00 176.35 176.08 1oxc s VAL 32 N -0.54 1.71 -1.33 -1.59 1.01 0.81 -0.82 120.40 119.64 1oxc s VAL 32 Ca 0.12 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1oxc s VAL 32 Cb -0.12 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1oxc s VAL 32 CO 0.02 0.28 1.00 -3.20 0.00 0.00 0.00 175.10 173.20 1oxc n ASN 33 N 4.69 -3.80 -1.59 3.32 5.15 -0.27 -2.15 115.26 120.61 1oxc n ASN 33 Ca -0.16 -0.66 -0.17 0.00 -0.60 0.00 0.00 54.58 52.99 1oxc n ASN 33 Cb 0.48 -4.67 -0.05 0.00 -0.53 0.00 0.00 39.78 35.02 1oxc n ASN 33 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1oxc n ASN 34 N -3.03 -5.05 -4.03 1.20 3.02 -1.26 -5.00 115.26 101.11 1oxc n ASN 34 Ca -0.13 0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 54.44 1oxc n ASN 34 Cb 0.61 -4.09 -0.15 0.00 -0.61 0.00 0.00 39.78 35.53 1oxc n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1oxc s GLU 35 N -4.06 1.06 0.11 3.52 8.01 -0.92 -5.07 118.70 121.35 1oxc s GLU 35 Ca 0.00 -0.36 -0.31 0.00 0.01 0.00 0.00 54.97 54.31 1oxc s GLU 35 Cb 0.00 -0.98 -0.10 0.00 -4.31 0.00 0.00 34.13 28.73 1oxc s GLU 35 CO 0.00 0.15 1.86 2.41 0.01 0.00 0.00 175.26 179.69 1oxc n THR 36 N 3.19 0.44 -0.02 3.63 -1.04 -1.26 -0.14 114.28 119.08 1oxc n THR 36 Ca -0.17 -0.08 0.01 0.00 -2.04 0.00 0.00 64.05 61.77 1oxc n THR 36 Cb 0.54 -2.16 -0.07 0.00 -1.82 0.00 0.00 70.33 66.82 1oxc n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oxc n ALA 37 N 5.97 2.13 -3.53 2.41 0.00 0.96 -4.86 120.51 123.58 1oxc n ALA 37 Ca 0.18 -0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 1oxc n ALA 37 Cb 0.38 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 1oxc n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oxc s ALA 38 N -2.49 -1.82 -0.03 0.00 0.00 -1.10 -5.01 121.76 111.31 1oxc s ALA 38 Ca -0.04 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1oxc s ALA 38 Cb 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1oxc s ALA 38 CO 0.39 -0.37 -0.01 0.99 0.00 0.00 0.00 175.76 176.75 1oxc s THR 39 N -1.31 0.23 -0.12 0.00 2.01 -1.26 -0.61 115.64 114.58 1oxc s THR 39 Ca -0.07 0.03 0.03 0.00 0.31 0.00 0.00 61.69 61.98 1oxc s THR 39 Cb -0.00 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.21 1oxc s THR 39 CO 0.06 0.14 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.55 1oxc s PHE 40 N 0.83 2.63 -0.09 4.92 0.08 0.24 -4.97 117.98 121.63 1oxc s PHE 40 Ca -0.09 -1.11 0.02 0.00 0.12 0.00 0.00 56.93 55.87 1oxc s PHE 40 Cb -0.12 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 1oxc s PHE 40 CO -0.01 -0.47 -0.13 0.45 -0.10 0.00 0.00 175.22 174.96 1oxc s SER 41 N 0.53 2.05 -0.06 1.36 0.15 -1.26 -0.13 113.70 116.35 1oxc s SER 41 Ca -0.13 -0.34 -0.32 0.00 0.70 0.00 0.00 55.95 55.86 1oxc s SER 41 Cb -0.17 -0.92 0.13 0.00 -1.71 0.00 0.00 66.02 63.36 1oxc s SER 41 CO 0.05 0.01 1.35 -0.83 1.20 0.00 0.00 173.24 175.02 1oxc s GLY 42 N 0.90 -0.45 -0.01 9.45 0.00 -0.70 -4.98 107.32 111.53 1oxc s GLY 42 Ca -0.10 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.50 1oxc s GLY 42 CO 0.01 0.16 -0.07 1.62 0.00 0.00 0.00 173.10 174.82 1oxc s GLN 43 N -2.25 0.63 -0.19 2.90 -0.44 -1.26 -0.58 119.66 118.47 1oxc s GLN 43 Ca 0.14 -0.23 -0.29 0.00 -2.50 0.00 0.00 55.36 52.48 1oxc s GLN 43 Cb 0.06 -0.62 0.13 0.00 -1.64 0.00 0.00 33.01 30.94 1oxc s GLN 43 CO -0.05 0.11 1.01 0.45 0.50 0.00 0.00 175.29 177.31 1oxc s SER 44 N 0.03 -0.38 -0.08 6.67 0.15 -1.26 -4.99 113.70 113.83 1oxc s SER 44 Ca 0.00 0.50 0.12 0.00 0.70 0.00 0.00 55.95 57.27 1oxc s SER 44 Cb -0.05 0.43 0.23 0.00 -1.71 0.00 0.00 66.02 64.92 1oxc s SER 44 CO -0.00 -0.29 1.15 0.35 1.20 0.00 0.00 173.24 175.65 1oxc n THR 45 N 1.08 1.58 -2.29 6.45 -2.24 -1.26 -0.43 114.28 117.16 1oxc n THR 45 Ca -0.11 -1.69 -0.03 0.00 -2.27 0.00 0.00 64.05 59.95 1oxc n THR 45 Cb 0.57 0.06 0.07 0.00 -2.10 0.00 0.00 70.33 68.94 1oxc n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1oxc n ASN 46 N -0.82 2.20 -2.22 3.42 5.15 -1.25 -4.82 115.26 116.92 1oxc n ASN 46 Ca 0.11 -2.81 -0.21 0.00 -0.60 0.00 0.00 54.58 51.07 1oxc n ASN 46 Cb 0.53 -0.41 -0.03 0.00 -0.53 0.00 0.00 39.78 39.34 1oxc n ASN 46 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1oxc n ASN 47 N -0.44 -5.77 -4.76 1.20 5.15 -0.60 -4.95 115.26 105.10 1oxc n ASN 47 Ca 0.18 0.11 -0.39 0.00 -0.60 0.00 0.00 54.58 53.88 1oxc n ASN 47 Cb 0.91 -4.87 0.00 0.00 -0.53 0.00 0.00 39.78 35.30 1oxc n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oxc s ALA 48 N -2.96 3.10 -0.27 5.20 0.00 -1.24 -4.53 121.76 121.05 1oxc s ALA 48 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 1oxc s ALA 48 Cb 0.00 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1oxc s ALA 48 CO 0.00 -0.91 1.33 0.08 0.00 0.00 0.00 175.76 176.26 1oxc s VAL 49 N -1.34 4.11 -2.24 0.00 1.01 -1.26 -1.99 120.40 118.69 1oxc s VAL 49 Ca 0.62 1.27 0.26 0.00 0.00 0.00 0.00 61.98 64.12 1oxc s VAL 49 Cb -0.36 -4.09 0.33 0.00 0.00 0.00 0.00 36.38 32.25 1oxc s VAL 49 CO 0.45 -0.41 1.53 2.30 0.00 0.00 0.00 175.10 178.97 1oxc n ILE 50 N 6.13 0.00 0.00 2.22 -5.35 0.29 -4.94 119.36 117.71 1oxc n ILE 50 Ca 0.15 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1oxc n ILE 50 Cb 0.46 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 1oxc n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oxc n GLY 51 N 1.29 1.74 3.34 3.28 0.00 -1.22 -4.32 105.19 109.30 1oxc n GLY 51 Ca 0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1oxc n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1oxc s THR 52 N -1.37 -0.02 0.22 2.61 -1.32 -1.26 -0.66 115.64 113.84 1oxc s THR 52 Ca 0.00 0.06 -0.22 0.00 -1.21 0.00 0.00 61.69 60.32 1oxc s THR 52 Cb 0.00 -0.67 0.05 0.00 -1.51 0.00 0.00 72.50 70.36 1oxc s THR 52 CO 0.00 0.03 0.66 -1.58 -2.21 0.00 0.00 174.62 171.52 1oxc s GLN 53 N 1.22 1.52 -0.18 7.08 0.74 -0.28 -5.01 119.66 124.75 1oxc s GLN 53 Ca -0.08 -0.72 -0.05 0.00 0.05 0.00 0.00 55.36 54.57 1oxc s GLN 53 Cb -0.07 0.60 -0.03 0.00 1.10 0.00 0.00 33.01 34.61 1oxc s GLN 53 CO -0.11 -0.68 -0.01 0.08 -0.55 0.00 0.00 175.29 174.01 1oxc s VAL 54 N -3.82 3.98 0.33 1.34 1.01 -1.26 -1.24 120.40 120.74 1oxc s VAL 54 Ca 0.06 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1oxc s VAL 54 Cb -0.03 -2.77 -0.07 0.00 0.00 0.00 0.00 36.38 33.51 1oxc s VAL 54 CO -0.03 0.46 0.02 -0.76 0.00 0.00 0.00 175.10 174.79 1oxc s LEU 55 N 0.66 2.40 -0.09 3.92 1.43 -0.16 -4.96 118.68 121.88 1oxc s LEU 55 Ca -0.01 -1.33 0.02 0.00 -1.03 0.00 0.00 54.13 51.78 1oxc s LEU 55 Cb -0.14 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.51 1oxc s LEU 55 CO 0.02 -0.51 -0.15 0.21 0.23 0.00 0.00 176.35 176.16 1oxc s ASN 56 N -3.52 3.93 0.19 2.29 3.84 -1.26 -0.52 114.94 119.89 1oxc s ASN 56 Ca 0.34 -0.29 0.20 0.00 0.21 0.00 0.00 52.86 53.33 1oxc s ASN 56 Cb 0.08 -1.24 0.87 0.00 -0.55 0.00 0.00 41.25 40.41 1oxc s ASN 56 CO 0.15 0.25 1.62 -1.54 -2.79 0.00 0.00 177.10 174.79 1oxc n SER 57 N 2.98 0.47 -0.51 -4.21 3.41 0.10 -4.91 113.62 110.96 1oxc n SER 57 Ca -0.18 0.63 0.03 0.00 -0.26 0.00 0.00 58.87 59.09 1oxc n SER 57 Cb 0.52 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 1oxc n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oxc n GLY 58 N -0.14 -1.76 0.29 5.00 0.00 -1.26 -2.41 105.19 104.90 1oxc n GLY 58 Ca 0.02 -1.28 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 1oxc n GLY 58 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1oxc h SER 59 N -0.20 0.91 0.85 1.61 0.02 -1.94 0.87 113.55 115.67 1oxc h SER 59 Ca 0.00 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.64 1oxc h SER 59 Cb 0.20 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1oxc h SER 59 CO 0.00 0.84 -0.68 0.77 -1.14 0.00 0.00 176.83 176.63 1oxc h SER 60 N 0.93 0.00 0.00 3.07 4.64 -1.97 -3.42 113.55 116.81 1oxc h SER 60 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1oxc h SER 60 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1oxc h SER 60 CO -0.02 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1oxc n GLY 61 N 0.65 0.62 3.66 -0.77 0.00 -1.01 -4.81 105.19 103.54 1oxc n GLY 61 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1oxc n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oxc s LYS 62 N -0.35 4.23 -0.07 1.61 2.20 -1.26 -0.26 119.74 125.85 1oxc s LYS 62 Ca 0.00 1.35 0.04 0.00 -0.36 0.00 0.00 55.97 56.99 1oxc s LYS 62 Cb 0.00 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1oxc s LYS 62 CO 0.00 -0.67 -0.19 0.08 -0.36 0.00 0.00 175.35 174.21 1oxc s VAL 63 N 3.29 1.60 -0.03 4.02 1.01 -0.15 -1.11 120.40 129.03 1oxc s VAL 63 Ca 0.45 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1oxc s VAL 63 Cb -0.15 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1oxc s VAL 63 CO 0.08 0.46 -0.08 -1.58 0.00 0.00 0.00 175.10 173.98 1oxc s GLN 64 N 0.30 0.90 -0.16 2.72 0.74 0.00 -0.21 119.66 123.95 1oxc s GLN 64 Ca -0.12 -0.25 -0.04 0.00 0.05 0.00 0.00 55.36 54.99 1oxc s GLN 64 Cb -0.15 -0.85 -0.03 0.00 1.10 0.00 0.00 33.01 33.08 1oxc s GLN 64 CO 0.05 0.07 -0.02 0.08 -0.55 0.00 0.00 175.29 174.92 1oxc s VAL 65 N 0.32 4.08 0.03 1.34 1.01 0.39 0.11 120.40 127.69 1oxc s VAL 65 Ca -0.05 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1oxc s VAL 65 Cb -0.09 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1oxc s VAL 65 CO 0.00 0.49 -0.20 -1.10 0.00 0.00 0.00 175.10 174.29 1oxc s GLN 66 N 0.37 1.39 -0.02 2.72 -0.21 -0.17 -4.73 119.66 119.00 1oxc s GLN 66 Ca -0.03 -0.87 0.02 0.00 0.02 0.00 0.00 55.36 54.51 1oxc s GLN 66 Cb -0.14 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.41 1oxc s GLN 66 CO 0.02 0.38 -0.07 0.08 -2.12 0.00 0.00 175.29 173.58 1oxc s VAL 67 N -0.72 0.65 0.04 1.09 1.01 -1.26 -0.55 120.40 120.65 1oxc s VAL 67 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1oxc s VAL 67 Cb -0.08 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1oxc s VAL 67 CO 0.01 0.21 0.03 -0.94 0.00 0.00 0.00 175.10 174.41 1oxc s SER 68 N 0.22 0.28 -0.11 3.32 1.04 -0.47 -0.31 113.70 117.67 1oxc s SER 68 Ca -0.03 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 1oxc s SER 68 Cb -0.08 0.19 0.03 0.00 0.10 0.00 0.00 66.02 66.27 1oxc s SER 68 CO 0.00 -0.48 -0.00 -0.69 0.98 0.00 0.00 173.24 173.04 1oxc s VAL 69 N -2.68 0.53 -1.50 5.02 1.01 -0.33 -1.18 120.40 121.27 1oxc s VAL 69 Ca -0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1oxc s VAL 69 Cb -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1oxc s VAL 69 CO -0.05 0.17 0.37 0.59 0.00 0.00 0.00 175.10 176.18 1oxc n ASN 70 N 5.09 -5.68 0.00 3.32 5.03 -1.26 -1.55 115.26 120.20 1oxc n ASN 70 Ca -0.08 -0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.19 1oxc n ASN 70 Cb 0.49 -4.58 0.00 0.00 -1.02 0.00 0.00 39.78 34.67 1oxc n ASN 70 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1oxc n GLY 71 N -1.31 2.78 3.64 7.41 0.00 -1.26 -5.00 105.19 111.45 1oxc n GLY 71 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1oxc n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oxc s ARG 72 N -0.09 4.16 0.23 1.61 0.52 -0.60 -5.00 118.95 119.80 1oxc s ARG 72 Ca 0.00 0.65 -0.31 0.00 -0.52 0.00 0.00 55.73 55.55 1oxc s ARG 72 Cb 0.00 -3.62 -0.11 0.00 0.52 0.00 0.00 34.95 31.74 1oxc s ARG 72 CO 0.00 -0.36 1.59 -2.14 0.02 0.00 0.00 175.30 174.41 1oxc s PRO 73 N 2.33 4.17 0.48 3.54 0.02 -1.26 -1.19 135.00 143.09 1oxc s PRO 73 Ca 0.29 2.48 -0.11 0.00 0.02 0.00 0.00 61.00 63.68 1oxc s PRO 73 Cb -0.16 -3.08 -0.06 0.00 0.02 0.00 0.00 34.50 31.22 1oxc s PRO 73 CO 0.09 -0.62 0.86 -1.12 -0.33 0.00 0.00 177.00 175.89 1oxc s SER 74 N 0.79 6.46 0.07 2.53 0.01 0.57 -4.92 113.70 119.21 1oxc s SER 74 Ca 0.67 1.24 -0.29 0.00 1.31 0.00 0.00 55.95 58.88 1oxc s SER 74 Cb -0.46 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.34 1oxc s SER 74 CO 0.39 -0.55 0.95 -0.62 0.41 0.00 0.00 173.24 173.82 1oxc s ASP 75 N -3.46 7.43 0.16 2.44 2.15 -0.75 -4.80 116.67 119.85 1oxc s ASP 75 Ca 0.53 1.72 0.06 0.00 0.43 0.00 0.00 52.55 55.29 1oxc s ASP 75 Cb -0.10 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.91 1oxc s ASP 75 CO 0.37 -0.11 0.06 -0.76 -0.17 0.00 0.00 175.17 174.56 1oxc s LEU 76 N 0.29 3.55 0.01 -1.34 1.43 -1.26 -0.75 118.68 120.60 1oxc s LEU 76 Ca 0.47 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1oxc s LEU 76 Cb -0.22 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1oxc s LEU 76 CO 0.29 0.09 -0.06 0.68 0.23 0.00 0.00 176.35 177.57 1oxc s VAL 77 N -1.71 0.48 0.23 -1.59 -7.23 -0.49 -4.84 120.40 105.26 1oxc s VAL 77 Ca 0.29 -0.50 -0.21 0.00 -1.81 0.00 0.00 61.98 59.74 1oxc s VAL 77 Cb -0.10 -0.46 0.04 0.00 0.56 0.00 0.00 36.38 36.43 1oxc s VAL 77 CO 0.21 -0.03 0.66 -0.94 -0.31 0.00 0.00 175.10 174.69 1oxc s SER 78 N -0.58 -0.38 -0.06 4.85 1.04 -1.26 -0.49 113.70 116.83 1oxc s SER 78 Ca -0.01 -0.36 -0.31 0.00 0.48 0.00 0.00 55.95 55.75 1oxc s SER 78 Cb -0.05 0.67 0.11 0.00 0.10 0.00 0.00 66.02 66.85 1oxc s SER 78 CO 0.00 -1.18 1.01 0.00 0.98 0.00 0.00 173.24 174.05 1oxc s ALA 79 N -3.85 -1.91 -0.05 5.32 0.00 -0.86 -4.92 121.76 115.50 1oxc s ALA 79 Ca 0.07 1.14 0.07 0.00 0.00 0.00 0.00 51.96 53.24 1oxc s ALA 79 Cb -0.04 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1oxc s ALA 79 CO -0.02 -0.69 -0.25 -1.14 0.00 0.00 0.00 175.76 173.66 1oxc s GLN 80 N -2.88 2.42 -0.03 0.00 0.74 -1.26 -0.77 119.66 117.89 1oxc s GLN 80 Ca 0.07 -0.91 0.04 0.00 0.05 0.00 0.00 55.36 54.61 1oxc s GLN 80 Cb -0.01 -2.13 -0.01 0.00 1.10 0.00 0.00 33.01 31.97 1oxc s GLN 80 CO -0.07 0.44 -0.15 0.08 -0.55 0.00 0.00 175.29 175.04 1oxc s VAL 81 N -0.30 1.24 -0.12 1.34 1.01 0.06 -4.99 120.40 118.65 1oxc s VAL 81 Ca 0.01 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1oxc s VAL 81 Cb -0.13 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1oxc s VAL 81 CO 0.02 0.36 -0.19 -0.63 0.00 0.00 0.00 175.10 174.66 1oxc s ILE 82 N -0.08 1.80 -0.09 2.22 1.01 -1.26 -0.82 121.20 123.99 1oxc s ILE 82 Ca -0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1oxc s ILE 82 Cb -0.09 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1oxc s ILE 82 CO 0.01 0.50 0.03 -0.76 0.00 0.00 0.00 174.94 174.72 1oxc s LEU 83 N 0.81 3.72 -1.15 2.97 1.43 0.17 -4.52 118.68 122.11 1oxc s LEU 83 Ca -0.09 0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.08 1oxc s LEU 83 Cb -0.16 -1.88 0.12 0.00 0.03 0.00 0.00 46.19 44.31 1oxc s LEU 83 CO -0.00 0.38 0.39 1.07 0.23 0.00 0.00 176.35 178.41 1oxc n THR 84 N 2.06 -0.25 -1.86 5.49 5.66 -1.26 -1.10 114.28 123.03 1oxc n THR 84 Ca -0.19 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.66 1oxc n THR 84 Cb 0.54 -0.67 -0.04 0.00 -1.55 0.00 0.00 70.33 68.61 1oxc n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1oxc n ASN 85 N -2.12 -4.36 0.00 1.09 5.15 -1.26 -4.69 115.26 109.07 1oxc n ASN 85 Ca 0.05 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1oxc n ASN 85 Cb 0.49 -3.84 0.00 0.00 -0.53 0.00 0.00 39.78 35.90 1oxc n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1oxc n GLU 86 N -2.39 0.00 -3.27 1.20 -0.58 -0.26 -5.07 120.64 110.27 1oxc n GLU 86 Ca -0.17 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.17 1oxc n GLU 86 Cb 0.57 -0.45 -0.08 0.00 -0.57 0.00 0.00 31.44 30.91 1oxc n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1oxc s LEU 87 N -3.49 4.08 -0.11 -4.62 2.96 -0.61 -4.36 118.68 112.54 1oxc s LEU 87 Ca 0.00 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1oxc s LEU 87 Cb 0.00 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 1oxc s LEU 87 CO 0.00 -0.29 -0.02 0.20 -1.32 0.00 0.00 176.35 174.92 1oxc s ASN 88 N 1.60 4.99 -0.10 3.68 -0.87 0.11 -0.66 114.94 123.69 1oxc s ASN 88 Ca 0.19 0.02 0.01 0.00 -1.57 0.00 0.00 52.86 51.52 1oxc s ASN 88 Cb -0.16 -1.52 0.02 0.00 -0.02 0.00 0.00 41.25 39.57 1oxc s ASN 88 CO 0.10 0.30 -0.13 -0.36 -2.57 0.00 0.00 177.10 174.44 1oxc s PHE 89 N -0.42 1.73 -0.26 2.20 0.40 -0.00 -2.14 117.98 119.48 1oxc s PHE 89 Ca 0.07 -0.78 -0.05 0.00 -0.60 0.00 0.00 56.93 55.57 1oxc s PHE 89 Cb -0.12 -1.29 0.01 0.00 0.51 0.00 0.00 43.02 42.13 1oxc s PHE 89 CO 0.02 -0.43 0.01 0.00 0.70 0.00 0.00 175.22 175.51 1oxc s ALA 90 N 1.07 2.90 -0.06 5.36 0.00 0.61 -0.76 121.76 130.87 1oxc s ALA 90 Ca -0.06 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 50.57 1oxc s ALA 90 Cb -0.15 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1oxc s ALA 90 CO -0.02 -0.73 -0.14 -0.51 0.00 0.00 0.00 175.76 174.37 1oxc s LEU 91 N 1.45 2.75 -0.02 0.00 1.43 0.05 -0.69 118.68 123.66 1oxc s LEU 91 Ca 0.03 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1oxc s LEU 91 Cb -0.16 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1oxc s LEU 91 CO -0.01 0.32 -0.05 -0.69 0.23 0.00 0.00 176.35 176.15 1oxc s VAL 92 N -0.59 0.46 0.23 -1.59 1.01 -0.10 -2.03 120.40 117.79 1oxc s VAL 92 Ca 0.08 -0.17 0.11 0.00 0.00 0.00 0.00 61.98 62.01 1oxc s VAL 92 Cb -0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1oxc s VAL 92 CO 0.01 0.17 -0.22 -0.83 0.00 0.00 0.00 175.10 174.23 1oxc s GLY 93 N 0.35 1.75 -0.03 4.51 0.00 0.36 -0.85 107.32 113.42 1oxc s GLY 93 Ca -0.04 -1.73 -0.11 0.00 0.00 0.00 0.00 44.72 42.84 1oxc s GLY 93 CO -0.00 -1.79 0.23 -1.35 0.00 0.00 0.00 173.10 170.19 1oxc s SER 94 N -3.05 -0.13 -0.15 1.64 1.04 -0.79 -1.40 113.70 110.86 1oxc s SER 94 Ca 0.24 0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.76 1oxc s SER 94 Cb -0.06 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.40 1oxc s SER 94 CO 0.12 -0.33 -0.17 -0.70 0.98 0.00 0.00 173.24 173.14 1oxc s GLU 95 N -1.00 2.52 0.00 4.02 2.56 0.07 -2.10 118.70 124.77 1oxc s GLU 95 Ca -0.11 -0.65 0.19 0.00 0.00 0.00 0.00 54.97 54.40 1oxc s GLU 95 Cb -0.05 -2.21 0.28 0.00 2.00 0.00 0.00 34.13 34.15 1oxc s GLU 95 CO 0.02 -0.17 1.21 -0.40 -0.56 0.00 0.00 175.26 175.36 1oxc n ASP 96 N 4.56 2.92 0.00 -1.70 5.68 -1.26 -1.82 116.55 124.93 1oxc n ASP 96 Ca -0.19 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 1oxc n ASP 96 Cb 0.50 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1oxc n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oxc n GLY 97 N 1.11 5.54 0.03 6.12 0.00 -1.26 -5.06 105.19 111.67 1oxc n GLY 97 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1oxc n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oxc n THR 98 N 0.00 0.00 1.13 2.61 -2.24 -1.26 -4.65 114.28 109.87 1oxc n THR 98 Ca 0.00 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.42 1oxc n THR 98 Cb 0.00 1.01 0.63 0.00 -2.10 0.00 0.00 70.33 69.88 1oxc n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1oxc n ASP 99 N -0.16 0.05 -3.96 3.42 5.75 -1.26 -4.94 116.55 115.46 1oxc n ASP 99 Ca 0.00 0.24 -0.28 0.00 -0.01 0.00 0.00 54.79 54.74 1oxc n ASP 99 Cb 0.02 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 1oxc n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1oxc n ASN 100 N -1.42 -2.41 0.03 -1.12 3.02 -1.26 -4.87 115.26 107.23 1oxc n ASN 100 Ca 0.09 -0.91 0.12 0.00 -0.03 0.00 0.00 54.58 53.85 1oxc n ASN 100 Cb 0.31 -3.41 0.15 0.00 -0.61 0.00 0.00 39.78 36.22 1oxc n ASN 100 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1oxc n ASP 101 N -2.88 0.61 -2.34 6.41 5.75 -1.26 -4.96 116.55 117.89 1oxc n ASP 101 Ca -0.12 -0.12 -0.11 0.00 -0.01 0.00 0.00 54.79 54.43 1oxc n ASP 101 Cb 0.60 0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 41.05 1oxc n ASP 101 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1oxc n TYR 102 N -1.84 -1.40 -0.01 2.11 4.01 -1.26 -4.79 117.16 113.98 1oxc n TYR 102 Ca 0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.79 1oxc n TYR 102 Cb 0.40 -2.48 0.02 0.00 -0.31 0.00 0.00 39.34 36.97 1oxc n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1oxc n ASN 103 N -1.61 1.93 -0.35 7.72 6.94 -1.16 -1.89 115.26 126.84 1oxc n ASN 103 Ca -0.12 -1.81 0.09 0.00 -0.02 0.00 0.00 54.58 52.72 1oxc n ASN 103 Cb 0.57 -0.03 0.27 0.00 -2.36 0.00 0.00 39.78 38.23 1oxc n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1oxc h ASP 104 N 0.30 0.84 -3.31 0.53 3.32 -1.53 -3.20 116.42 113.37 1oxc h ASP 104 Ca 0.00 0.07 -0.36 0.00 0.02 0.00 0.00 57.03 56.76 1oxc h ASP 104 Cb 0.44 -0.09 -0.38 0.00 0.22 0.00 0.00 39.33 39.51 1oxc h ASP 104 CO 0.00 0.39 -0.73 0.00 -1.72 0.00 0.00 179.24 177.18 1oxc s ALA 105 N -5.92 0.20 -0.14 3.45 0.00 -1.25 -1.21 121.76 116.88 1oxc s ALA 105 Ca -0.12 0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 1oxc s ALA 105 Cb 0.23 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1oxc s ALA 105 CO 0.80 -0.47 -0.11 0.08 0.00 0.00 0.00 175.76 176.07 1oxc s VAL 106 N 2.10 3.22 -0.08 0.00 1.01 0.08 -2.47 120.40 124.26 1oxc s VAL 106 Ca 0.04 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1oxc s VAL 106 Cb -0.12 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1oxc s VAL 106 CO -0.03 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.68 1oxc s VAL 107 N 0.43 1.78 -0.15 2.92 1.01 -0.03 -0.36 120.40 126.00 1oxc s VAL 107 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1oxc s VAL 107 Cb -0.15 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1oxc s VAL 107 CO 0.04 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.75 1oxc s VAL 108 N 0.35 2.12 -0.12 2.92 1.01 0.22 -0.93 120.40 125.98 1oxc s VAL 108 Ca -0.15 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1oxc s VAL 108 Cb -0.17 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1oxc s VAL 108 CO 0.07 0.54 -0.14 -0.63 0.00 0.00 0.00 175.10 174.94 1oxc s ILE 109 N 0.97 2.94 0.02 2.22 1.01 0.14 -0.91 121.20 127.59 1oxc s ILE 109 Ca -0.03 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1oxc s ILE 109 Cb -0.15 -2.22 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 1oxc s ILE 109 CO -0.05 0.53 -0.06 0.54 0.00 0.00 0.00 174.94 175.90 1oxc s ASN 110 N 0.26 0.64 0.12 3.58 4.22 -0.43 -0.29 114.94 123.04 1oxc s ASN 110 Ca -0.10 -0.34 -0.24 0.00 -2.14 0.00 0.00 52.86 50.03 1oxc s ASN 110 Cb -0.16 0.00 0.08 0.00 1.28 0.00 0.00 41.25 42.45 1oxc s ASN 110 CO 0.06 -0.10 0.67 -1.66 -2.04 0.00 0.00 177.10 174.02 1oxc s TRP 111 N -0.84 -0.49 0.77 1.54 -2.14 -0.91 -0.96 118.94 115.91 1oxc s TRP 111 Ca -0.06 0.31 -0.12 0.00 2.66 0.00 0.00 56.10 58.89 1oxc s TRP 111 Cb -0.06 0.55 0.05 0.00 -3.10 0.00 0.00 33.47 30.91 1oxc s TRP 111 CO 0.00 -0.77 1.13 -1.25 -2.66 0.00 0.00 176.95 173.39 1oxc s PRO 112 N -3.58 2.33 0.37 3.25 0.04 -1.26 -0.71 135.00 135.43 1oxc s PRO 112 Ca 0.02 0.35 0.04 0.00 0.04 0.00 0.00 61.00 61.45 1oxc s PRO 112 Cb -0.01 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1oxc s PRO 112 CO -0.12 -1.39 0.37 1.28 0.04 0.00 0.00 177.00 177.18 1oxc n LEU 113 N -3.22 0.00 0.00 -3.56 4.77 -1.26 -4.97 117.00 108.76 1oxc n LEU 113 Ca 0.07 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.25 1oxc n LEU 113 Cb 0.58 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1oxc n LEU 113 CO 0.57 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.71