#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ous s THR 2 N 0.00 2.64 0.09 0.00 2.01 -1.26 -5.03 115.64 114.09 1ous s THR 2 Ca 0.00 0.59 0.03 0.00 0.31 0.00 0.00 61.69 62.62 1ous s THR 2 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1ous s THR 2 CO 0.00 0.10 -0.09 -1.10 -0.69 0.00 0.00 174.62 172.85 1ous s GLN 3 N -2.13 0.80 0.00 4.92 -1.52 -1.26 -4.84 119.66 115.62 1ous s GLN 3 Ca 0.55 -1.15 0.00 0.00 -1.95 0.00 0.00 55.36 52.80 1ous s GLN 3 Cb -0.38 -0.40 0.00 0.00 -0.22 0.00 0.00 33.01 32.01 1ous s GLN 3 CO 0.50 0.05 0.00 0.41 -0.25 0.00 0.00 175.29 175.99 1ous n GLY 4 N 0.50 0.53 3.38 3.09 0.00 -1.26 -4.90 105.19 106.52 1ous n GLY 4 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1ous n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ous s VAL 5 N -2.01 3.12 0.01 1.61 1.01 -1.26 -0.52 120.40 122.36 1ous s VAL 5 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.36 1ous s VAL 5 Cb 0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1ous s VAL 5 CO 0.00 0.52 -0.06 -0.36 0.00 0.00 0.00 175.10 175.20 1ous s PHE 6 N 0.37 0.57 -0.34 5.22 0.08 0.38 -5.01 117.98 119.24 1ous s PHE 6 Ca -0.10 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 56.64 1ous s PHE 6 Cb -0.16 -0.36 0.01 0.00 -0.57 0.00 0.00 43.02 41.94 1ous s PHE 6 CO 0.05 -0.02 0.19 0.99 -0.10 0.00 0.00 175.22 176.33 1ous s THR 7 N -0.44 4.73 0.26 0.64 2.01 -1.26 -1.15 115.64 120.43 1ous s THR 7 Ca -0.01 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.49 1ous s THR 7 Cb -0.04 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 1ous s THR 7 CO -0.00 -0.08 0.34 -0.76 -0.69 0.00 0.00 174.62 173.43 1ous s LEU 8 N 1.61 4.14 0.61 4.42 1.02 0.72 -5.02 118.68 126.19 1ous s LEU 8 Ca 0.04 -0.05 -0.18 0.00 0.02 0.00 0.00 54.13 53.95 1ous s LEU 8 Cb -0.18 -2.71 -0.03 0.00 0.02 0.00 0.00 46.19 43.29 1ous s LEU 8 CO 0.07 -0.12 1.24 -2.16 0.02 0.00 0.00 176.35 175.40 1ous s PRO 9 N -3.98 2.82 0.66 1.29 0.04 -1.26 -4.37 135.00 130.20 1ous s PRO 9 Ca 0.35 1.91 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 1ous s PRO 9 Cb -0.09 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.55 1ous s PRO 9 CO 0.28 -1.35 1.28 0.00 0.04 0.00 0.00 177.00 177.26 1ous s ALA 10 N -1.53 2.34 -1.44 8.56 0.00 -1.26 -3.73 121.76 124.70 1ous s ALA 10 Ca 0.79 1.18 -0.08 0.00 0.00 0.00 0.00 51.96 53.85 1ous s ALA 10 Cb -0.33 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.26 1ous s ALA 10 CO 0.35 -1.64 0.25 0.09 0.00 0.00 0.00 175.76 174.81 1ous n ASN 11 N -2.01 -0.55 -4.18 0.00 3.02 0.25 -4.90 115.26 106.90 1ous n ASN 11 Ca 0.16 -1.22 -0.27 0.00 -0.03 0.00 0.00 54.58 53.21 1ous n ASN 11 Cb 0.48 -1.95 -0.16 0.00 -0.61 0.00 0.00 39.78 37.55 1ous n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ous s THR 12 N -4.10 1.57 0.36 3.41 2.01 -1.24 -4.88 115.64 112.76 1ous s THR 12 Ca 0.12 -0.81 -0.26 0.00 0.31 0.00 0.00 61.69 61.05 1ous s THR 12 Cb -0.06 -1.33 -0.09 0.00 0.01 0.00 0.00 72.50 71.03 1ous s THR 12 CO 0.97 0.45 1.06 -0.13 -0.69 0.00 0.00 174.62 176.28 1ous s ARG 13 N -0.17 4.33 0.05 4.92 0.52 -1.26 -0.62 118.95 126.72 1ous s ARG 13 Ca 0.00 1.60 -0.11 0.00 -0.52 0.00 0.00 55.73 56.70 1ous s ARG 13 Cb -0.10 -2.76 0.01 0.00 0.52 0.00 0.00 34.95 32.61 1ous s ARG 13 CO 0.01 -0.01 0.24 -0.59 0.02 0.00 0.00 175.30 174.97 1ous s PHE 14 N -1.49 -0.01 0.05 -0.53 -0.71 0.04 -4.24 117.98 111.09 1ous s PHE 14 Ca 0.53 -0.20 0.01 0.00 -1.04 0.00 0.00 56.93 56.23 1ous s PHE 14 Cb -0.25 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 1ous s PHE 14 CO 0.32 -0.48 0.13 0.20 -1.34 0.00 0.00 175.22 174.06 1ous s GLY 15 N -2.16 2.09 -0.04 1.99 0.00 -0.25 -0.76 107.32 108.19 1ous s GLY 15 Ca -0.04 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1ous s GLY 15 CO -0.04 -0.87 -0.04 0.54 0.00 0.00 0.00 173.10 172.68 1ous s VAL 16 N -1.40 0.53 -0.02 1.40 0.11 -0.49 -1.55 120.40 118.98 1ous s VAL 16 Ca 0.30 -0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 1ous s VAL 16 Cb -0.12 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1ous s VAL 16 CO 0.23 0.22 -0.03 -0.89 -3.33 0.00 0.00 175.10 171.30 1ous s THR 17 N 0.94 0.31 0.01 5.04 2.01 -0.19 -1.12 115.64 122.64 1ous s THR 17 Ca -0.11 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 61.90 1ous s THR 17 Cb -0.14 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1ous s THR 17 CO -0.00 0.14 -0.25 0.00 -0.69 0.00 0.00 174.62 173.81 1ous s ALA 18 N 0.48 2.11 0.13 7.40 0.00 -0.11 -0.64 121.76 131.13 1ous s ALA 18 Ca -0.05 -1.15 0.09 0.00 0.00 0.00 0.00 51.96 50.85 1ous s ALA 18 Cb -0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1ous s ALA 18 CO -0.01 0.51 -0.22 -0.06 0.00 0.00 0.00 175.76 175.99 1ous s PHE 19 N -0.69 1.92 -0.01 0.00 0.40 0.62 -0.66 117.98 119.56 1ous s PHE 19 Ca 0.10 -0.42 0.07 0.00 -0.60 0.00 0.00 56.93 56.09 1ous s PHE 19 Cb -0.10 -1.02 -0.02 0.00 0.51 0.00 0.00 43.02 42.39 1ous s PHE 19 CO 0.00 0.27 -0.23 0.00 0.70 0.00 0.00 175.22 175.96 1ous s ALA 20 N -1.36 1.96 -0.41 5.36 0.00 -0.85 -1.03 121.76 125.43 1ous s ALA 20 Ca 0.11 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.12 1ous s ALA 20 Cb -0.09 -0.48 0.29 0.00 0.00 0.00 0.00 23.12 22.84 1ous s ALA 20 CO 0.05 0.48 0.75 0.09 0.00 0.00 0.00 175.76 177.13 1ous n ASN 21 N 2.41 -0.53 -3.51 0.00 3.02 -0.02 -1.73 115.26 114.90 1ous n ASN 21 Ca -0.16 -3.07 -0.12 0.00 -0.03 0.00 0.00 54.58 51.21 1ous n ASN 21 Cb 0.52 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 1ous n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ous s SER 22 N -1.70 -0.45 0.41 6.41 0.15 0.27 -4.09 113.70 114.69 1ous s SER 22 Ca 0.34 -0.06 0.26 0.00 0.70 0.00 0.00 55.95 57.19 1ous s SER 22 Cb 0.26 0.55 0.76 0.00 -1.71 0.00 0.00 66.02 65.87 1ous s SER 22 CO -0.11 -0.90 1.75 0.77 1.20 0.00 0.00 173.24 175.95 1ous h SER 23 N 2.22 0.00 -2.88 5.45 4.64 -1.96 -3.33 113.55 117.69 1ous h SER 23 Ca -0.33 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.43 1ous h SER 23 Cb 1.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 1ous h SER 23 CO 0.41 0.00 -0.37 -0.83 -0.87 0.00 0.00 176.83 175.17 1ous s GLY 24 N -4.02 1.92 -0.02 -0.77 0.00 -1.26 -4.95 107.32 98.22 1ous s GLY 24 Ca 0.06 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 1ous s GLY 24 CO 0.60 -0.76 1.37 -1.59 0.00 0.00 0.00 173.10 172.71 1ous s THR 25 N -1.76 3.84 -0.06 0.90 2.01 -1.26 -4.70 115.64 114.61 1ous s THR 25 Ca 0.38 1.19 -0.15 0.00 0.31 0.00 0.00 61.69 63.43 1ous s THR 25 Cb -0.11 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 1ous s THR 25 CO 0.28 -0.01 0.38 -1.10 -0.69 0.00 0.00 174.62 173.47 1ous s GLN 26 N 2.52 4.03 -0.18 4.92 -1.52 0.13 -4.52 119.66 125.04 1ous s GLN 26 Ca 0.62 0.31 0.01 0.00 -1.95 0.00 0.00 55.36 54.36 1ous s GLN 26 Cb -0.30 -3.30 0.02 0.00 -0.22 0.00 0.00 33.01 29.22 1ous s GLN 26 CO 0.25 0.50 -0.19 0.99 -0.25 0.00 0.00 175.29 176.59 1ous s THR 27 N -0.43 2.02 -0.20 -0.19 2.01 -0.48 -1.73 115.64 116.64 1ous s THR 27 Ca 0.22 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1ous s THR 27 Cb -0.15 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 1ous s THR 27 CO 0.10 0.51 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.78 1ous s VAL 28 N 1.30 3.30 -0.06 3.82 1.01 0.12 -1.19 120.40 128.70 1ous s VAL 28 Ca 0.04 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1ous s VAL 28 Cb -0.13 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 1ous s VAL 28 CO -0.12 0.45 -0.15 0.21 0.00 0.00 0.00 175.10 175.49 1ous s ASN 29 N 1.17 3.92 -0.19 3.32 3.84 0.19 -0.04 114.94 127.16 1ous s ASN 29 Ca 0.02 -0.25 0.01 0.00 0.21 0.00 0.00 52.86 52.85 1ous s ASN 29 Cb -0.14 -0.95 0.02 0.00 -0.55 0.00 0.00 41.25 39.62 1ous s ASN 29 CO -0.02 0.31 -0.18 -0.69 -2.79 0.00 0.00 177.10 173.73 1ous s VAL 30 N -0.50 2.17 -0.16 -5.21 1.01 0.12 -0.78 120.40 117.05 1ous s VAL 30 Ca 0.07 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1ous s VAL 30 Cb -0.12 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1ous s VAL 30 CO 0.01 0.51 0.08 -0.76 0.00 0.00 0.00 175.10 174.95 1ous s LEU 31 N 1.30 3.98 -0.19 3.92 1.43 0.55 -0.18 118.68 129.49 1ous s LEU 31 Ca 0.05 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1ous s LEU 31 Cb -0.13 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1ous s LEU 31 CO -0.12 0.26 -0.14 -0.69 0.23 0.00 0.00 176.35 175.89 1ous s VAL 32 N -0.16 1.79 -1.39 -1.59 1.01 0.36 -0.67 120.40 119.74 1ous s VAL 32 Ca 0.08 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 1ous s VAL 32 Cb -0.12 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1ous s VAL 32 CO 0.01 0.33 1.10 -3.20 0.00 0.00 0.00 175.10 173.34 1ous n ASN 33 N 4.67 -5.45 -1.11 3.32 5.15 0.03 -2.06 115.26 119.80 1ous n ASN 33 Ca -0.17 -0.62 -0.13 0.00 -0.60 0.00 0.00 54.58 53.06 1ous n ASN 33 Cb 0.48 -4.70 -0.05 0.00 -0.53 0.00 0.00 39.78 34.98 1ous n ASN 33 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1ous n ASN 34 N -2.98 -4.49 -4.07 1.20 6.94 -1.26 -5.01 115.26 105.58 1ous n ASN 34 Ca -0.02 0.26 -0.22 0.00 -0.02 0.00 0.00 54.58 54.58 1ous n ASN 34 Cb 0.56 -3.26 -0.15 0.00 -2.36 0.00 0.00 39.78 34.57 1ous n ASN 34 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1ous s GLU 35 N -3.43 1.12 0.03 -3.83 1.03 -0.87 -5.08 118.70 107.66 1ous s GLU 35 Ca 0.00 -0.44 -0.30 0.00 0.03 0.00 0.00 54.97 54.26 1ous s GLU 35 Cb 0.00 -1.05 -0.08 0.00 -0.80 0.00 0.00 34.13 32.20 1ous s GLU 35 CO 0.00 0.23 1.76 0.99 -1.33 0.00 0.00 175.26 176.92 1ous s THR 36 N -0.14 3.16 -0.04 1.83 2.01 -1.26 -0.49 115.64 120.71 1ous s THR 36 Ca 0.02 0.38 0.11 0.00 0.31 0.00 0.00 61.69 62.51 1ous s THR 36 Cb -0.07 -3.25 -0.16 0.00 0.01 0.00 0.00 72.50 69.03 1ous s THR 36 CO 0.00 -0.02 0.25 0.00 -0.69 0.00 0.00 174.62 174.16 1ous n ALA 37 N 6.65 2.45 -3.56 7.40 0.00 0.74 -4.89 120.51 129.30 1ous n ALA 37 Ca 0.18 -0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1ous n ALA 37 Cb 0.41 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 1ous n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ous s ALA 38 N -2.71 -1.85 -0.11 0.00 0.00 -1.15 -5.00 121.76 110.94 1ous s ALA 38 Ca -0.04 1.52 -0.04 0.00 0.00 0.00 0.00 51.96 53.40 1ous s ALA 38 Cb 0.07 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.78 1ous s ALA 38 CO 0.45 -0.33 0.20 0.99 0.00 0.00 0.00 175.76 177.07 1ous s THR 39 N -0.93 -0.33 0.13 0.00 2.01 -1.26 -0.70 115.64 114.56 1ous s THR 39 Ca -0.06 0.32 0.09 0.00 0.31 0.00 0.00 61.69 62.35 1ous s THR 39 Cb -0.01 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1ous s THR 39 CO 0.05 0.13 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.58 1ous s PHE 40 N 2.35 2.55 -0.05 4.92 0.08 0.95 -4.96 117.98 123.82 1ous s PHE 40 Ca 0.02 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.69 1ous s PHE 40 Cb -0.12 -1.33 0.02 0.00 -0.57 0.00 0.00 43.02 41.02 1ous s PHE 40 CO -0.07 0.42 0.30 0.45 -0.10 0.00 0.00 175.22 176.21 1ous s SER 41 N -2.28 -0.22 0.00 1.36 0.15 -1.26 0.14 113.70 111.59 1ous s SER 41 Ca 0.19 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1ous s SER 41 Cb -0.10 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1ous s SER 41 CO 0.11 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1ous n GLY 42 N 1.81 1.05 2.98 9.45 0.00 -0.71 -4.85 105.19 114.93 1ous n GLY 42 Ca -0.19 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 1ous n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ous s GLN 43 N -2.00 1.65 -0.16 1.61 -0.44 -1.26 -0.70 119.66 118.36 1ous s GLN 43 Ca 0.00 -0.35 -0.28 0.00 -2.50 0.00 0.00 55.36 52.22 1ous s GLN 43 Cb 0.00 -1.49 0.08 0.00 -1.64 0.00 0.00 33.01 29.96 1ous s GLN 43 CO 0.00 -0.10 0.78 0.45 0.50 0.00 0.00 175.29 176.92 1ous s SER 44 N 1.09 -0.62 -0.06 6.67 0.15 -1.25 -5.01 113.70 114.67 1ous s SER 44 Ca -0.06 0.91 0.09 0.00 0.70 0.00 0.00 55.95 57.58 1ous s SER 44 Cb -0.14 0.82 0.20 0.00 -1.71 0.00 0.00 66.02 65.18 1ous s SER 44 CO -0.01 -0.41 1.14 0.35 1.20 0.00 0.00 173.24 175.50 1ous n THR 45 N 1.55 1.40 -2.35 6.45 -2.24 -1.26 -0.57 114.28 117.27 1ous n THR 45 Ca -0.16 -1.45 -0.06 0.00 -2.27 0.00 0.00 64.05 60.11 1ous n THR 45 Cb 0.56 0.21 0.06 0.00 -2.10 0.00 0.00 70.33 69.06 1ous n THR 45 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ous n ASN 46 N -0.56 2.58 -2.32 3.42 5.15 -1.26 -4.84 115.26 117.43 1ous n ASN 46 Ca 0.09 -2.83 -0.20 0.00 -0.60 0.00 0.00 54.58 51.04 1ous n ASN 46 Cb 0.47 -0.41 -0.02 0.00 -0.53 0.00 0.00 39.78 39.29 1ous n ASN 46 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1ous n ASN 47 N -0.53 -5.71 -4.76 1.20 5.15 -0.71 -4.95 115.26 104.95 1ous n ASN 47 Ca 0.20 0.06 -0.39 0.00 -0.60 0.00 0.00 54.58 53.85 1ous n ASN 47 Cb 0.90 -4.79 0.01 0.00 -0.53 0.00 0.00 39.78 35.37 1ous n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ous s ALA 48 N -2.97 3.13 -0.34 5.20 0.00 -1.23 -4.52 121.76 121.02 1ous s ALA 48 Ca 0.00 1.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1ous s ALA 48 Cb 0.00 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1ous s ALA 48 CO 0.00 -1.05 1.27 0.08 0.00 0.00 0.00 175.76 176.06 1ous s VAL 49 N -1.28 4.16 -2.05 0.00 1.01 -1.26 -2.01 120.40 118.98 1ous s VAL 49 Ca 0.62 1.28 0.27 0.00 0.00 0.00 0.00 61.98 64.14 1ous s VAL 49 Cb -0.40 -4.26 0.35 0.00 0.00 0.00 0.00 36.38 32.08 1ous s VAL 49 CO 0.50 -0.59 1.60 2.30 0.00 0.00 0.00 175.10 178.90 1ous n ILE 50 N 6.39 0.00 0.00 2.22 -5.35 0.16 -4.94 119.36 117.85 1ous n ILE 50 Ca 0.14 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1ous n ILE 50 Cb 0.47 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 1ous n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ous n GLY 51 N 1.29 1.64 3.38 3.28 0.00 -1.23 -4.02 105.19 109.53 1ous n GLY 51 Ca 0.14 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1ous n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ous s THR 52 N -1.61 -0.01 0.14 2.61 -1.32 -1.26 -0.93 115.64 113.25 1ous s THR 52 Ca 0.00 0.03 -0.22 0.00 -1.21 0.00 0.00 61.69 60.29 1ous s THR 52 Cb 0.00 -0.70 0.06 0.00 -1.51 0.00 0.00 72.50 70.36 1ous s THR 52 CO 0.00 0.01 0.57 -1.58 -2.21 0.00 0.00 174.62 171.41 1ous s GLN 53 N 0.82 1.22 -0.21 7.08 0.74 -0.27 -5.00 119.66 124.03 1ous s GLN 53 Ca -0.04 -0.45 -0.07 0.00 0.05 0.00 0.00 55.36 54.85 1ous s GLN 53 Cb -0.05 0.56 -0.03 0.00 1.10 0.00 0.00 33.01 34.58 1ous s GLN 53 CO -0.06 -0.51 0.05 0.08 -0.55 0.00 0.00 175.29 174.29 1ous s VAL 54 N -3.54 4.39 0.41 1.34 1.01 -1.26 -1.40 120.40 121.35 1ous s VAL 54 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1ous s VAL 54 Cb -0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 1ous s VAL 54 CO -0.11 0.40 0.03 -0.76 0.00 0.00 0.00 175.10 174.67 1ous s LEU 55 N 1.00 2.49 -0.07 3.92 1.43 0.06 -4.96 118.68 122.54 1ous s LEU 55 Ca 0.03 -1.47 0.04 0.00 -1.03 0.00 0.00 54.13 51.70 1ous s LEU 55 Cb -0.14 -0.66 -0.00 0.00 0.03 0.00 0.00 46.19 45.42 1ous s LEU 55 CO 0.03 -0.63 -0.21 0.21 0.23 0.00 0.00 176.35 175.98 1ous s ASN 56 N -3.69 2.68 0.36 2.29 3.84 -1.26 -0.78 114.94 118.37 1ous s ASN 56 Ca 0.27 -0.46 0.26 0.00 0.21 0.00 0.00 52.86 53.14 1ous s ASN 56 Cb 0.07 -1.02 1.24 0.00 -0.55 0.00 0.00 41.25 40.99 1ous s ASN 56 CO 0.14 0.16 1.80 0.77 -2.79 0.00 0.00 177.10 177.17 1ous h SER 57 N 6.52 0.00 -2.10 -4.21 4.64 -1.17 -3.47 113.55 113.76 1ous h SER 57 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1ous h SER 57 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ous h SER 57 CO 0.47 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 1ous n GLY 58 N -0.54 -1.32 0.17 -0.77 0.00 -1.26 -2.37 105.19 99.09 1ous n GLY 58 Ca 0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1ous n GLY 58 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ous h SER 59 N 0.00 -0.29 0.58 1.61 0.02 -1.94 0.72 113.55 114.24 1ous h SER 59 Ca 0.00 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 1ous h SER 59 Cb 0.00 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1ous h SER 59 CO 0.00 -0.12 -0.47 0.77 -1.14 0.00 0.00 176.83 175.87 1ous h SER 60 N -0.46 0.00 -0.06 3.07 4.64 -1.96 -3.42 113.55 115.37 1ous h SER 60 Ca -0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1ous h SER 60 Cb 0.34 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1ous h SER 60 CO 0.06 0.47 -0.02 0.61 -0.87 0.00 0.00 176.83 177.08 1ous n GLY 61 N -0.02 0.38 3.61 -0.77 0.00 -1.00 -4.79 105.19 102.60 1ous n GLY 61 Ca -0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1ous n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ous s LYS 62 N -1.12 3.88 -0.10 1.61 2.20 -1.26 -0.20 119.74 124.76 1ous s LYS 62 Ca 0.00 0.60 0.04 0.00 -0.36 0.00 0.00 55.97 56.25 1ous s LYS 62 Cb 0.00 -3.78 -0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1ous s LYS 62 CO 0.00 -0.87 -0.24 0.08 -0.36 0.00 0.00 175.35 173.96 1ous s VAL 63 N 3.32 2.06 -0.05 4.02 1.01 -0.30 -0.79 120.40 129.67 1ous s VAL 63 Ca 0.37 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1ous s VAL 63 Cb -0.13 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1ous s VAL 63 CO 0.17 0.56 -0.10 -1.58 0.00 0.00 0.00 175.10 174.15 1ous s GLN 64 N 0.29 1.28 -0.17 2.72 0.74 0.15 -0.47 119.66 124.21 1ous s GLN 64 Ca -0.17 -0.32 -0.07 0.00 0.05 0.00 0.00 55.36 54.85 1ous s GLN 64 Cb -0.18 -1.13 -0.04 0.00 1.10 0.00 0.00 33.01 32.76 1ous s GLN 64 CO 0.08 0.04 0.05 0.08 -0.55 0.00 0.00 175.29 174.99 1ous s VAL 65 N 0.55 4.69 0.01 1.34 1.01 0.32 -0.33 120.40 127.98 1ous s VAL 65 Ca -0.10 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1ous s VAL 65 Cb -0.13 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1ous s VAL 65 CO 0.02 0.48 -0.20 -1.10 0.00 0.00 0.00 175.10 174.30 1ous s GLN 66 N 0.23 1.54 -0.03 2.72 -0.21 0.04 -4.76 119.66 119.20 1ous s GLN 66 Ca 0.03 -0.80 0.03 0.00 0.02 0.00 0.00 55.36 54.64 1ous s GLN 66 Cb -0.12 -1.55 0.00 0.00 1.00 0.00 0.00 33.01 32.34 1ous s GLN 66 CO 0.01 0.41 -0.10 0.08 -2.12 0.00 0.00 175.29 173.57 1ous s VAL 67 N -0.59 0.86 0.10 1.09 1.01 -1.26 -0.63 120.40 120.97 1ous s VAL 67 Ca 0.08 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1ous s VAL 67 Cb -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1ous s VAL 67 CO 0.00 0.26 0.17 -0.94 0.00 0.00 0.00 175.10 174.59 1ous s SER 68 N 0.19 0.17 -0.16 3.32 1.04 -0.34 -0.43 113.70 117.50 1ous s SER 68 Ca -0.03 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 55.59 1ous s SER 68 Cb -0.09 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.42 1ous s SER 68 CO 0.01 -0.74 0.03 -0.69 0.98 0.00 0.00 173.24 172.83 1ous s VAL 69 N -3.90 0.42 -1.51 5.02 1.01 -0.29 -1.39 120.40 119.76 1ous s VAL 69 Ca 0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1ous s VAL 69 Cb 0.05 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1ous s VAL 69 CO -0.08 -0.08 0.52 0.59 0.00 0.00 0.00 175.10 176.04 1ous n ASN 70 N 5.10 -5.60 0.00 3.32 5.03 -1.26 -0.72 115.26 121.13 1ous n ASN 70 Ca -0.08 -0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.10 1ous n ASN 70 Cb 0.48 -4.55 0.00 0.00 -1.02 0.00 0.00 39.78 34.69 1ous n ASN 70 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ous n GLY 71 N -1.40 3.24 3.61 7.41 0.00 -1.26 -5.01 105.19 111.78 1ous n GLY 71 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1ous n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ous s ARG 72 N -0.52 3.49 -0.01 1.61 0.52 0.10 -4.95 118.95 119.19 1ous s ARG 72 Ca 0.00 1.48 -0.30 0.00 -0.52 0.00 0.00 55.73 56.39 1ous s ARG 72 Cb 0.00 -4.14 -0.07 0.00 0.52 0.00 0.00 34.95 31.26 1ous s ARG 72 CO 0.00 -1.66 1.72 -2.14 0.02 0.00 0.00 175.30 173.23 1ous s PRO 73 N 5.31 4.18 0.34 3.54 0.02 -1.26 -1.14 135.00 145.99 1ous s PRO 73 Ca 0.76 2.30 -0.19 0.00 0.02 0.00 0.00 61.00 63.89 1ous s PRO 73 Cb -0.23 -3.95 -0.10 0.00 0.02 0.00 0.00 34.50 30.25 1ous s PRO 73 CO 0.33 -0.84 0.84 -1.12 -0.33 0.00 0.00 177.00 175.87 1ous s SER 74 N 3.38 6.96 0.29 2.53 0.01 0.43 -4.97 113.70 122.34 1ous s SER 74 Ca 0.77 1.53 -0.28 0.00 1.31 0.00 0.00 55.95 59.28 1ous s SER 74 Cb -0.36 -2.47 -0.09 0.00 0.21 0.00 0.00 66.02 63.30 1ous s SER 74 CO 0.33 -0.20 0.96 -0.62 0.41 0.00 0.00 173.24 174.12 1ous s ASP 75 N -2.04 7.41 0.26 2.44 2.15 -0.94 -4.71 116.67 121.25 1ous s ASP 75 Ca 0.54 1.92 0.11 0.00 0.43 0.00 0.00 52.55 55.56 1ous s ASP 75 Cb -0.12 -2.59 -0.05 0.00 -0.30 0.00 0.00 42.92 39.86 1ous s ASP 75 CO 0.17 -0.02 -0.18 -0.76 -0.17 0.00 0.00 175.17 174.22 1ous s LEU 76 N -1.72 2.65 0.01 -1.34 1.43 -1.26 -1.17 118.68 117.27 1ous s LEU 76 Ca 0.47 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1ous s LEU 76 Cb -0.22 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 1ous s LEU 76 CO 0.28 0.06 -0.09 0.68 0.23 0.00 0.00 176.35 177.51 1ous s VAL 77 N -2.27 0.70 0.24 -1.59 -7.23 -0.43 -4.82 120.40 104.99 1ous s VAL 77 Ca 0.28 -0.63 -0.21 0.00 -1.81 0.00 0.00 61.98 59.61 1ous s VAL 77 Cb -0.06 -0.63 0.04 0.00 0.56 0.00 0.00 36.38 36.28 1ous s VAL 77 CO 0.14 0.02 0.67 -0.94 -0.31 0.00 0.00 175.10 174.69 1ous s SER 78 N -0.68 -0.36 -0.08 4.85 1.04 -1.26 -0.53 113.70 116.68 1ous s SER 78 Ca -0.00 -0.41 -0.32 0.00 0.48 0.00 0.00 55.95 55.71 1ous s SER 78 Cb -0.05 0.68 0.12 0.00 0.10 0.00 0.00 66.02 66.87 1ous s SER 78 CO 0.00 -1.21 1.07 0.00 0.98 0.00 0.00 173.24 174.08 1ous s ALA 79 N -3.86 -1.96 -0.03 5.32 0.00 -0.86 -4.91 121.76 115.46 1ous s ALA 79 Ca 0.08 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.32 1ous s ALA 79 Cb -0.04 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1ous s ALA 79 CO 0.00 -0.69 -0.24 -1.14 0.00 0.00 0.00 175.76 173.69 1ous s GLN 80 N -2.76 2.17 -0.03 0.00 0.74 -1.26 -0.74 119.66 117.79 1ous s GLN 80 Ca 0.08 -0.86 0.04 0.00 0.05 0.00 0.00 55.36 54.67 1ous s GLN 80 Cb -0.01 -1.98 -0.01 0.00 1.10 0.00 0.00 33.01 32.12 1ous s GLN 80 CO -0.06 0.45 -0.15 0.08 -0.55 0.00 0.00 175.29 175.06 1ous s VAL 81 N -0.38 1.26 -0.12 1.34 1.01 -0.01 -4.99 120.40 118.51 1ous s VAL 81 Ca 0.04 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1ous s VAL 81 Cb -0.11 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1ous s VAL 81 CO 0.01 0.36 -0.18 -0.63 0.00 0.00 0.00 175.10 174.66 1ous s ILE 82 N -0.12 1.72 -0.07 2.22 1.01 -1.26 -1.10 121.20 123.60 1ous s ILE 82 Ca 0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1ous s ILE 82 Cb -0.09 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1ous s ILE 82 CO 0.01 0.48 0.06 -0.76 0.00 0.00 0.00 174.94 174.73 1ous s LEU 83 N 0.91 3.87 -1.43 2.97 1.43 0.16 -4.51 118.68 122.09 1ous s LEU 83 Ca -0.07 0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 1ous s LEU 83 Cb -0.15 -2.01 0.16 0.00 0.03 0.00 0.00 46.19 44.22 1ous s LEU 83 CO -0.02 0.36 0.50 1.07 0.23 0.00 0.00 176.35 178.49 1ous n THR 84 N 1.83 -0.28 -1.56 5.49 5.66 -1.26 -1.37 114.28 122.77 1ous n THR 84 Ca -0.17 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.66 1ous n THR 84 Cb 0.54 -0.76 -0.06 0.00 -1.55 0.00 0.00 70.33 68.49 1ous n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1ous n ASN 85 N -2.28 -4.36 0.00 1.09 5.15 -1.26 -4.66 115.26 108.94 1ous n ASN 85 Ca 0.07 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 1ous n ASN 85 Cb 0.48 -3.92 0.00 0.00 -0.53 0.00 0.00 39.78 35.80 1ous n ASN 85 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ous n GLU 86 N -2.16 0.00 -3.39 1.20 4.71 -0.47 -5.07 120.64 115.46 1ous n GLU 86 Ca -0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.58 1ous n GLU 86 Cb 0.55 -0.43 -0.09 0.00 -1.01 0.00 0.00 31.44 30.46 1ous n GLU 86 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1ous s LEU 87 N -1.24 4.27 -0.11 -4.62 2.96 -0.55 -4.38 118.68 115.00 1ous s LEU 87 Ca 0.00 -0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1ous s LEU 87 Cb 0.00 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1ous s LEU 87 CO 0.00 -0.28 -0.00 0.20 -1.32 0.00 0.00 176.35 174.94 1ous s ASN 88 N 1.71 5.18 -0.09 3.68 -0.87 -0.08 -0.66 114.94 123.80 1ous s ASN 88 Ca 0.13 0.08 0.00 0.00 -1.57 0.00 0.00 52.86 51.51 1ous s ASN 88 Cb -0.16 -1.59 0.02 0.00 -0.02 0.00 0.00 41.25 39.50 1ous s ASN 88 CO 0.11 0.31 -0.09 -0.36 -2.57 0.00 0.00 177.10 174.51 1ous s PHE 89 N -0.49 1.43 -0.25 2.20 0.40 -0.26 -2.27 117.98 118.74 1ous s PHE 89 Ca 0.09 -0.65 -0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1ous s PHE 89 Cb -0.12 -1.15 -0.00 0.00 0.51 0.00 0.00 43.02 42.26 1ous s PHE 89 CO 0.02 -0.42 0.01 0.00 0.70 0.00 0.00 175.22 175.53 1ous s ALA 90 N 1.35 2.94 -0.05 5.36 0.00 0.45 -0.83 121.76 130.98 1ous s ALA 90 Ca -0.02 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.69 1ous s ALA 90 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1ous s ALA 90 CO -0.04 -0.64 -0.16 -0.51 0.00 0.00 0.00 175.76 174.40 1ous s LEU 91 N 1.49 2.61 -0.01 0.00 1.43 0.08 -0.70 118.68 123.57 1ous s LEU 91 Ca 0.04 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1ous s LEU 91 Cb -0.16 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1ous s LEU 91 CO -0.00 0.32 -0.05 -0.69 0.23 0.00 0.00 176.35 176.15 1ous s VAL 92 N -0.59 0.46 0.13 -1.59 1.01 -0.08 -2.02 120.40 117.71 1ous s VAL 92 Ca 0.08 -0.21 0.09 0.00 0.00 0.00 0.00 61.98 61.95 1ous s VAL 92 Cb -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1ous s VAL 92 CO 0.01 0.15 -0.22 -0.83 0.00 0.00 0.00 175.10 174.21 1ous s GLY 93 N 0.09 1.38 0.02 4.51 0.00 0.32 -0.90 107.32 112.74 1ous s GLY 93 Ca -0.01 -1.38 -0.00 0.00 0.00 0.00 0.00 44.72 43.33 1ous s GLY 93 CO -0.00 -1.39 -0.02 -1.35 0.00 0.00 0.00 173.10 170.33 1ous s SER 94 N -2.18 0.22 -0.13 1.64 1.04 -0.15 -1.32 113.70 112.83 1ous s SER 94 Ca 0.11 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.09 1ous s SER 94 Cb -0.09 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.15 1ous s SER 94 CO 0.06 -0.30 -0.17 -0.70 0.98 0.00 0.00 173.24 173.11 1ous s GLU 95 N -1.42 2.54 0.00 4.02 2.56 -0.32 -2.29 118.70 123.80 1ous s GLU 95 Ca -0.15 -0.67 0.24 0.00 0.00 0.00 0.00 54.97 54.38 1ous s GLU 95 Cb -0.10 -2.16 0.23 0.00 2.00 0.00 0.00 34.13 34.10 1ous s GLU 95 CO -0.01 -0.11 1.22 -0.40 -0.56 0.00 0.00 175.26 175.41 1ous n ASP 96 N 4.35 0.79 0.00 -1.70 5.68 -1.26 -2.20 116.55 122.21 1ous n ASP 96 Ca -0.19 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 1ous n ASP 96 Cb 0.51 0.53 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 1ous n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ous n GLY 97 N 1.48 4.30 0.13 6.12 0.00 -1.26 -5.00 105.19 110.97 1ous n GLY 97 Ca 0.06 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.56 1ous n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ous n THR 98 N 0.00 0.88 1.35 2.61 -2.24 -1.26 -4.88 114.28 110.73 1ous n THR 98 Ca 0.00 -1.00 0.01 0.00 -2.27 0.00 0.00 64.05 60.79 1ous n THR 98 Cb 0.00 0.36 0.04 0.00 -2.10 0.00 0.00 70.33 68.63 1ous n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ous n ASP 99 N -0.59 0.88 -1.64 3.42 8.00 -1.26 -4.88 116.55 120.47 1ous n ASP 99 Ca 0.05 -2.04 -0.01 0.00 0.71 0.00 0.00 54.79 53.49 1ous n ASP 99 Cb 0.52 -0.25 -0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1ous n ASP 99 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ous n ASN 100 N -0.13 -0.76 -4.22 -2.24 5.03 -1.26 -4.74 115.26 106.94 1ous n ASN 100 Ca 0.03 0.21 -0.41 0.00 0.87 0.00 0.00 54.58 55.28 1ous n ASN 100 Cb 0.19 -0.98 -0.04 0.00 -1.02 0.00 0.00 39.78 37.93 1ous n ASN 100 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1ous s ASP 101 N -1.48 6.50 0.00 6.41 -4.77 -1.26 -4.78 116.67 117.29 1ous s ASP 101 Ca 0.00 -3.42 0.00 0.00 -3.30 0.00 0.00 52.55 45.83 1ous s ASP 101 Cb 0.00 -2.06 0.00 0.00 -1.09 0.00 0.00 42.92 39.77 1ous s ASP 101 CO 0.00 -0.30 1.01 -1.22 0.70 0.00 0.00 175.17 175.35 1ous n TYR 102 N 2.85 0.00 0.30 2.11 4.01 -1.26 -2.47 117.16 122.70 1ous n TYR 102 Ca 0.20 -0.50 0.04 0.00 -0.16 0.00 0.00 57.90 57.47 1ous n TYR 102 Cb 0.39 -0.25 0.04 0.00 -0.31 0.00 0.00 39.34 39.21 1ous n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1ous n ASN 103 N 0.52 1.75 -0.33 7.72 6.94 -1.16 -0.97 115.26 129.72 1ous n ASN 103 Ca 0.00 -1.39 0.10 0.00 -0.02 0.00 0.00 54.58 53.27 1ous n ASN 103 Cb 0.50 -0.01 0.28 0.00 -2.36 0.00 0.00 39.78 38.18 1ous n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1ous h ASP 104 N 1.56 0.68 -3.44 0.53 3.32 -1.13 -3.29 116.42 114.66 1ous h ASP 104 Ca 0.00 0.09 -0.29 0.00 0.02 0.00 0.00 57.03 56.85 1ous h ASP 104 Cb 0.36 -0.03 -0.34 0.00 0.22 0.00 0.00 39.33 39.55 1ous h ASP 104 CO 0.00 0.26 -0.69 0.00 -1.72 0.00 0.00 179.24 177.10 1ous s ALA 105 N -5.91 -0.02 -0.08 3.45 0.00 -1.24 -0.84 121.76 117.11 1ous s ALA 105 Ca -0.12 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1ous s ALA 105 Cb 0.23 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 1ous s ALA 105 CO 0.79 -0.20 -0.24 0.08 0.00 0.00 0.00 175.76 176.19 1ous s VAL 106 N 1.33 2.03 -0.08 0.00 1.01 -0.19 -1.67 120.40 122.82 1ous s VAL 106 Ca -0.06 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.92 1ous s VAL 106 Cb -0.12 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1ous s VAL 106 CO -0.04 0.56 -0.18 -0.69 0.00 0.00 0.00 175.10 174.75 1ous s VAL 107 N 0.14 1.56 -0.14 2.92 1.01 -0.08 -0.27 120.40 125.54 1ous s VAL 107 Ca -0.12 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1ous s VAL 107 Cb -0.16 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1ous s VAL 107 CO 0.07 0.45 -0.22 -0.69 0.00 0.00 0.00 175.10 174.71 1ous s VAL 108 N 0.47 2.08 -0.13 2.92 1.01 0.19 -0.90 120.40 126.04 1ous s VAL 108 Ca -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1ous s VAL 108 Cb -0.16 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1ous s VAL 108 CO 0.06 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 174.93 1ous s ILE 109 N 0.82 2.88 0.03 2.22 1.01 0.12 -1.02 121.20 127.26 1ous s ILE 109 Ca -0.07 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1ous s ILE 109 Cb -0.15 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 1ous s ILE 109 CO -0.02 0.53 -0.08 0.54 0.00 0.00 0.00 174.94 175.91 1ous s ASN 110 N 0.38 0.87 0.09 3.58 4.22 -0.59 -0.41 114.94 123.08 1ous s ASN 110 Ca -0.12 -0.41 -0.25 0.00 -2.14 0.00 0.00 52.86 49.94 1ous s ASN 110 Cb -0.16 -0.01 0.08 0.00 1.28 0.00 0.00 41.25 42.44 1ous s ASN 110 CO 0.06 -0.10 0.68 -1.66 -2.04 0.00 0.00 177.10 174.04 1ous s TRP 111 N -0.96 -0.51 0.74 1.54 -2.14 -0.96 -1.09 118.94 115.56 1ous s TRP 111 Ca -0.05 0.40 -0.12 0.00 2.66 0.00 0.00 56.10 58.99 1ous s TRP 111 Cb -0.07 0.54 0.03 0.00 -3.10 0.00 0.00 33.47 30.86 1ous s TRP 111 CO 0.00 -0.74 1.11 -1.25 -2.66 0.00 0.00 176.95 173.42 1ous s PRO 112 N -3.26 2.60 0.55 3.25 0.04 -1.26 -0.91 135.00 136.01 1ous s PRO 112 Ca 0.00 0.40 0.08 0.00 0.04 0.00 0.00 61.00 61.52 1ous s PRO 112 Cb -0.01 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1ous s PRO 112 CO -0.09 -1.21 0.65 1.28 0.04 0.00 0.00 177.00 177.67 1ous n LEU 113 N -3.11 0.00 0.00 -3.56 4.77 -1.26 -5.00 117.00 108.84 1ous n LEU 113 Ca 0.07 -2.54 0.12 0.00 -0.03 0.00 0.00 56.01 53.63 1ous n LEU 113 Cb 0.58 -0.28 0.69 0.00 -2.33 0.00 0.00 43.42 42.08 1ous n LEU 113 CO 0.57 -0.66 0.88 0.61 -1.33 0.00 0.00 177.39 177.46