#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 2.29 0.10 0.00 2.01 -1.26 -5.01 115.64 113.78 1ous s THR 2 Ca 0.00 0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1ous s THR 2 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1ous s THR 2 CO 0.00 0.05 -0.10 -1.10 -0.69 0.00 0.00 174.62 172.78 1ous s GLN 3 N -1.26 0.88 0.00 4.92 -1.52 -1.26 -4.84 119.66 116.58 1ous s GLN 3 Ca 0.56 -1.21 0.00 0.00 -1.95 0.00 0.00 55.36 52.77 1ous s GLN 3 Cb -0.45 -0.55 0.00 0.00 -0.22 0.00 0.00 33.01 31.79 1ous s GLN 3 CO 0.53 0.08 0.00 0.41 -0.25 0.00 0.00 175.29 176.06 1ous n GLY 4 N 0.44 0.57 3.31 3.09 0.00 -1.26 -4.92 105.19 106.41 1ous n GLY 4 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.04 2.70 -0.00 1.61 1.01 -1.26 -0.72 120.40 121.70 1ous s VAL 5 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1ous s VAL 5 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1ous s VAL 5 CO 0.00 0.53 -0.06 -0.36 0.00 0.00 0.00 175.10 175.22 1ous s PHE 6 N 0.41 0.51 -0.37 5.22 0.08 0.30 -5.01 117.98 119.12 1ous s PHE 6 Ca -0.13 -0.13 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 1ous s PHE 6 Cb -0.16 -0.33 0.01 0.00 -0.57 0.00 0.00 43.02 41.96 1ous s PHE 6 CO 0.06 -0.01 0.24 0.99 -0.10 0.00 0.00 175.22 176.39 1ous s THR 7 N -0.24 5.01 0.24 0.64 2.01 -1.26 -1.08 115.64 120.96 1ous s THR 7 Ca 0.01 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.50 1ous s THR 7 Cb -0.03 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1ous s THR 7 CO -0.00 -0.15 0.37 -0.76 -0.69 0.00 0.00 174.62 173.39 1ous s LEU 8 N 1.65 4.29 0.50 4.42 1.02 0.54 -5.02 118.68 126.09 1ous s LEU 8 Ca 0.05 0.13 -0.22 0.00 0.02 0.00 0.00 54.13 54.11 1ous s LEU 8 Cb -0.18 -2.92 -0.06 0.00 0.02 0.00 0.00 46.19 43.05 1ous s LEU 8 CO 0.09 -0.08 1.22 -2.16 0.02 0.00 0.00 176.35 175.44 1ous s PRO 9 N -3.90 3.48 0.89 1.29 0.04 -1.26 -4.32 135.00 131.23 1ous s PRO 9 Ca 0.35 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 63.17 1ous s PRO 9 Cb -0.09 -2.29 0.12 0.00 0.04 0.00 0.00 34.50 32.28 1ous s PRO 9 CO 0.30 -0.81 1.09 0.00 0.04 0.00 0.00 177.00 177.62 1ous s ALA 10 N -1.50 1.57 -1.50 8.56 0.00 -1.26 -3.91 121.76 123.71 1ous s ALA 10 Ca 0.68 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 1ous s ALA 10 Cb -0.32 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1ous s ALA 10 CO 0.37 -2.35 0.26 0.09 0.00 0.00 0.00 175.76 174.13 1ous n ASN 11 N -3.90 0.03 -4.03 0.00 4.13 0.40 -4.94 115.26 106.96 1ous n ASN 11 Ca 0.07 -1.13 -0.22 0.00 1.68 0.00 0.00 54.58 54.98 1ous n ASN 11 Cb 0.55 -2.35 -0.16 0.00 -1.54 0.00 0.00 39.78 36.28 1ous n ASN 11 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ous s THR 12 N -4.09 0.94 0.05 3.41 2.01 -1.25 -4.96 115.64 111.75 1ous s THR 12 Ca 0.07 -0.45 -0.20 0.00 0.31 0.00 0.00 61.69 61.42 1ous s THR 12 Cb -0.04 -0.82 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 1ous s THR 12 CO 0.94 0.28 0.60 -0.13 -0.69 0.00 0.00 174.62 175.63 1ous s ARG 13 N 0.14 4.29 0.03 4.92 0.52 -1.26 -0.64 118.95 126.95 1ous s ARG 13 Ca -0.03 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 55.97 1ous s ARG 13 Cb -0.09 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1ous s ARG 13 CO 0.01 0.51 -0.04 -0.59 0.02 0.00 0.00 175.30 175.21 1ous s PHE 14 N -0.70 0.34 0.05 -0.53 -0.71 0.03 -1.12 117.98 115.33 1ous s PHE 14 Ca 0.31 -0.57 -0.03 0.00 -1.04 0.00 0.00 56.93 55.59 1ous s PHE 14 Cb -0.19 -0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 41.34 1ous s PHE 14 CO 0.19 -0.19 0.25 0.20 -1.34 0.00 0.00 175.22 174.33 1ous s GLY 15 N -1.61 2.21 -0.06 1.99 0.00 0.01 -0.43 107.32 109.43 1ous s GLY 15 Ca -0.13 -0.70 -0.00 0.00 0.00 0.00 0.00 44.72 43.89 1ous s GLY 15 CO -0.02 -0.60 -0.02 0.54 0.00 0.00 0.00 173.10 173.00 1ous s VAL 16 N -1.44 0.47 -0.02 1.40 0.11 -0.29 -1.66 120.40 118.95 1ous s VAL 16 Ca 0.33 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.40 1ous s VAL 16 Cb -0.13 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1ous s VAL 16 CO 0.22 0.25 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.29 1ous s THR 17 N 1.54 0.54 -0.03 5.04 2.01 -0.33 -0.99 115.64 123.42 1ous s THR 17 Ca -0.01 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 61.84 1ous s THR 17 Cb -0.13 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 1ous s THR 17 CO -0.03 0.18 -0.25 0.00 -0.69 0.00 0.00 174.62 173.82 1ous s ALA 18 N 0.28 2.17 0.16 7.40 0.00 -0.18 -0.76 121.76 130.84 1ous s ALA 18 Ca -0.03 -1.09 0.10 0.00 0.00 0.00 0.00 51.96 50.93 1ous s ALA 18 Cb -0.08 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1ous s ALA 18 CO -0.00 0.49 -0.18 -0.06 0.00 0.00 0.00 175.76 176.01 1ous s PHE 19 N -0.45 2.48 0.01 0.00 0.08 0.61 -0.51 117.98 120.19 1ous s PHE 19 Ca 0.05 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.87 1ous s PHE 19 Cb -0.11 -1.26 -0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1ous s PHE 19 CO 0.01 0.45 -0.18 0.00 -0.10 0.00 0.00 175.22 175.41 1ous s ALA 20 N -1.46 1.47 -0.41 5.36 0.00 -0.79 -0.89 121.76 125.04 1ous s ALA 20 Ca 0.21 -0.84 0.09 0.00 0.00 0.00 0.00 51.96 51.41 1ous s ALA 20 Cb -0.09 -0.32 0.29 0.00 0.00 0.00 0.00 23.12 22.99 1ous s ALA 20 CO 0.11 0.34 0.71 0.09 0.00 0.00 0.00 175.76 177.01 1ous n ASN 21 N 2.29 -0.36 -3.60 0.00 3.02 -0.31 -1.60 115.26 114.70 1ous n ASN 21 Ca -0.16 -3.00 -0.13 0.00 -0.03 0.00 0.00 54.58 51.26 1ous n ASN 21 Cb 0.54 0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.66 -0.39 0.49 6.41 0.15 0.10 -4.10 113.70 114.69 1ous s SER 22 Ca 0.35 0.12 0.31 0.00 0.70 0.00 0.00 55.95 57.42 1ous s SER 22 Cb 0.25 0.47 1.20 0.00 -1.71 0.00 0.00 66.02 66.23 1ous s SER 22 CO -0.11 -0.71 1.90 0.77 1.20 0.00 0.00 173.24 176.29 1ous h SER 23 N 2.84 0.00 -2.49 5.45 4.64 -1.96 -3.35 113.55 118.68 1ous h SER 23 Ca -0.31 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.46 1ous h SER 23 Cb 1.21 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.22 1ous h SER 23 CO 0.42 0.00 -0.59 -0.83 -0.87 0.00 0.00 176.83 174.96 1ous s GLY 24 N -4.07 1.61 0.18 -0.77 0.00 -1.26 -4.97 107.32 98.04 1ous s GLY 24 Ca 0.02 -1.40 -0.31 0.00 0.00 0.00 0.00 44.72 43.04 1ous s GLY 24 CO 0.53 -1.43 1.49 -1.59 0.00 0.00 0.00 173.10 172.11 1ous s THR 25 N -1.98 2.76 -0.14 0.90 2.01 -1.26 -4.70 115.64 113.23 1ous s THR 25 Ca 0.31 0.57 -0.07 0.00 0.31 0.00 0.00 61.69 62.80 1ous s THR 25 Cb -0.08 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1ous s THR 25 CO 0.22 0.06 0.13 -1.10 -0.69 0.00 0.00 174.62 173.24 1ous s GLN 26 N 0.63 3.59 -0.19 4.92 -1.52 0.97 -4.26 119.66 123.80 1ous s GLN 26 Ca 0.65 -0.16 -0.01 0.00 -1.95 0.00 0.00 55.36 53.90 1ous s GLN 26 Cb -0.42 -3.22 0.01 0.00 -0.22 0.00 0.00 33.01 29.15 1ous s GLN 26 CO 0.35 0.67 -0.14 0.99 -0.25 0.00 0.00 175.29 176.91 1ous s THR 27 N -0.72 2.60 -0.16 -0.19 2.01 -0.09 -1.83 115.64 117.26 1ous s THR 27 Ca 0.13 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1ous s THR 27 Cb -0.12 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.29 1ous s THR 27 CO 0.03 0.50 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 1ous s VAL 28 N 1.24 1.92 -0.08 3.82 1.01 0.35 -1.10 120.40 127.56 1ous s VAL 28 Ca 0.03 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1ous s VAL 28 Cb -0.14 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1ous s VAL 28 CO -0.07 0.52 -0.13 0.20 0.00 0.00 0.00 175.10 175.62 1ous s ASN 29 N 1.22 4.12 -0.23 3.32 -0.87 0.24 -0.39 114.94 122.35 1ous s ASN 29 Ca 0.02 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.10 1ous s ASN 29 Cb -0.14 -1.12 0.03 0.00 -0.02 0.00 0.00 41.25 40.01 1ous s ASN 29 CO -0.10 0.30 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.93 1ous s VAL 30 N -0.42 2.47 -0.20 1.60 1.01 -0.01 -0.92 120.40 123.92 1ous s VAL 30 Ca 0.05 -1.15 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 1ous s VAL 30 Cb -0.12 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1ous s VAL 30 CO 0.02 0.24 0.06 -0.76 0.00 0.00 0.00 175.10 174.66 1ous s LEU 31 N 1.26 3.67 -0.19 3.92 1.02 0.18 -0.36 118.68 128.17 1ous s LEU 31 Ca -0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 1ous s LEU 31 Cb -0.16 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 1ous s LEU 31 CO -0.07 0.11 -0.08 -0.69 0.02 0.00 0.00 176.35 175.64 1ous s VAL 32 N 0.76 3.21 -1.40 -1.59 1.01 -0.13 -0.76 120.40 121.50 1ous s VAL 32 Ca 0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1ous s VAL 32 Cb -0.13 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1ous s VAL 32 CO 0.02 0.46 0.57 0.59 0.00 0.00 0.00 175.10 176.74 1ous n ASN 33 N 4.38 -1.04 -1.43 3.32 3.02 0.65 -1.82 115.26 122.34 1ous n ASN 33 Ca -0.18 -0.93 -0.17 0.00 -0.03 0.00 0.00 54.58 53.27 1ous n ASN 33 Cb 0.51 -3.44 -0.06 0.00 -0.61 0.00 0.00 39.78 36.18 1ous n ASN 33 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ous n ASN 34 N -2.99 -5.04 -3.85 6.41 3.02 -1.26 -4.99 115.26 106.55 1ous n ASN 34 Ca -0.27 0.33 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 1ous n ASN 34 Cb 0.66 -4.06 -0.16 0.00 -0.61 0.00 0.00 39.78 35.61 1ous n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ous s GLU 35 N -3.73 0.62 0.06 3.52 8.01 -0.76 -5.10 118.70 121.33 1ous s GLU 35 Ca 0.00 -0.02 -0.33 0.00 0.01 0.00 0.00 54.97 54.63 1ous s GLU 35 Cb 0.00 -0.73 -0.12 0.00 -4.31 0.00 0.00 34.13 28.97 1ous s GLU 35 CO 0.00 -0.12 1.74 2.41 0.01 0.00 0.00 175.26 179.30 1ous n THR 36 N 4.19 0.29 0.03 3.63 -1.04 -1.26 -0.96 114.28 119.16 1ous n THR 36 Ca -0.23 -0.05 0.02 0.00 -2.04 0.00 0.00 64.05 61.75 1ous n THR 36 Cb 0.51 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 1ous n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ous n ALA 37 N 5.05 2.23 -3.45 2.41 0.00 0.52 -4.87 120.51 122.40 1ous n ALA 37 Ca 0.19 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 1ous n ALA 37 Cb 0.31 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -2.16 -1.42 -0.07 0.00 0.00 -1.08 -5.01 121.76 112.01 1ous s ALA 38 Ca -0.01 1.27 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 1ous s ALA 38 Cb 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1ous s ALA 38 CO 0.18 -0.30 0.13 0.99 0.00 0.00 0.00 175.76 176.76 1ous s THR 39 N -0.53 -0.17 0.08 0.00 2.01 -1.26 -0.83 115.64 114.93 1ous s THR 39 Ca -0.06 0.33 0.08 0.00 0.31 0.00 0.00 61.69 62.34 1ous s THR 39 Cb -0.03 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1ous s THR 39 CO 0.05 0.14 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.56 1ous s PHE 40 N 1.96 2.53 -0.10 4.92 0.08 0.47 -4.98 117.98 122.86 1ous s PHE 40 Ca 0.00 -0.27 -0.05 0.00 0.12 0.00 0.00 56.93 56.73 1ous s PHE 40 Cb -0.12 -1.40 0.05 0.00 -0.57 0.00 0.00 43.02 40.98 1ous s PHE 40 CO -0.05 0.31 0.23 0.45 -0.10 0.00 0.00 175.22 176.06 1ous s SER 41 N -1.76 -0.22 -0.05 1.36 0.15 -1.26 -0.50 113.70 111.43 1ous s SER 41 Ca 0.16 0.49 -0.31 0.00 0.70 0.00 0.00 55.95 56.99 1ous s SER 41 Cb -0.10 0.38 0.13 0.00 -1.71 0.00 0.00 66.02 64.72 1ous s SER 41 CO 0.07 -0.17 1.36 -0.83 1.20 0.00 0.00 173.24 174.87 1ous s GLY 42 N 1.29 -0.43 -0.00 9.45 0.00 -0.76 -4.91 107.32 111.96 1ous s GLY 42 Ca -0.09 0.75 0.01 0.00 0.00 0.00 0.00 44.72 45.39 1ous s GLY 42 CO -0.08 0.74 -0.03 1.62 0.00 0.00 0.00 173.10 175.35 1ous s GLN 43 N -2.21 0.25 -0.22 2.90 -0.44 -1.26 -0.02 119.66 118.66 1ous s GLN 43 Ca 0.16 -0.11 -0.27 0.00 -2.50 0.00 0.00 55.36 52.64 1ous s GLN 43 Cb 0.06 -0.24 0.11 0.00 -1.64 0.00 0.00 33.01 31.29 1ous s GLN 43 CO -0.05 0.07 0.94 0.45 0.50 0.00 0.00 175.29 177.19 1ous s SER 44 N -0.08 -0.50 -0.19 6.67 0.15 -1.26 -4.99 113.70 113.51 1ous s SER 44 Ca 0.01 0.81 0.13 0.00 0.70 0.00 0.00 55.95 57.59 1ous s SER 44 Cb -0.01 0.77 0.43 0.00 -1.71 0.00 0.00 66.02 65.49 1ous s SER 44 CO -0.00 -0.27 1.21 0.35 1.20 0.00 0.00 173.24 175.73 1ous n THR 45 N 1.72 1.96 -2.16 6.45 -2.24 -1.26 -0.72 114.28 118.03 1ous n THR 45 Ca -0.13 -3.05 0.01 0.00 -2.27 0.00 0.00 64.05 58.60 1ous n THR 45 Cb 0.56 -0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 -0.89 0.23 -1.71 3.42 5.15 -1.26 -4.93 115.26 115.27 1ous n ASN 46 Ca 0.19 -1.87 -0.19 0.00 -0.60 0.00 0.00 54.58 52.12 1ous n ASN 46 Cb 0.77 -0.16 -0.05 0.00 -0.53 0.00 0.00 39.78 39.81 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 0.16 -5.30 -4.77 1.20 5.15 -0.63 -4.96 115.26 106.11 1ous n ASN 47 Ca -0.01 0.26 -0.35 0.00 -0.60 0.00 0.00 54.58 53.88 1ous n ASN 47 Cb 0.82 -4.40 0.01 0.00 -0.53 0.00 0.00 39.78 35.68 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 -2.79 2.63 0.00 5.20 0.00 -1.23 -4.46 121.76 121.12 1ous s ALA 48 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 1ous s ALA 48 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1ous s ALA 48 CO 0.00 -0.91 1.34 0.08 0.00 0.00 0.00 175.76 176.26 1ous s VAL 49 N -1.79 3.83 -2.10 0.00 1.01 -1.26 -1.89 120.40 118.20 1ous s VAL 49 Ca 0.73 1.22 0.18 0.00 0.00 0.00 0.00 61.98 64.11 1ous s VAL 49 Cb -0.25 -3.78 0.11 0.00 0.00 0.00 0.00 36.38 32.45 1ous s VAL 49 CO 0.30 0.01 1.03 2.30 0.00 0.00 0.00 175.10 178.74 1ous n ILE 50 N 4.53 0.00 0.00 2.22 -5.35 0.33 -4.97 119.36 116.13 1ous n ILE 50 Ca 0.12 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1ous n ILE 50 Cb 0.44 1.33 0.00 0.00 -1.74 0.00 0.00 39.64 39.68 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 1.07 1.65 3.50 3.28 0.00 -1.23 -4.11 105.19 109.35 1ous n GLY 51 Ca 0.10 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.60 -0.01 -0.11 2.61 -1.32 -1.26 -1.01 115.64 112.96 1ous s THR 52 Ca 0.00 0.02 -0.24 0.00 -1.21 0.00 0.00 61.69 60.26 1ous s THR 52 Cb 0.00 -0.84 0.06 0.00 -1.51 0.00 0.00 72.50 70.20 1ous s THR 52 CO 0.00 0.01 0.58 -1.58 -2.21 0.00 0.00 174.62 171.42 1ous s GLN 53 N 1.15 0.86 -0.23 7.08 0.74 -0.16 -5.00 119.66 124.09 1ous s GLN 53 Ca -0.07 0.38 -0.11 0.00 0.05 0.00 0.00 55.36 55.61 1ous s GLN 53 Cb -0.06 0.40 -0.05 0.00 1.10 0.00 0.00 33.01 34.41 1ous s GLN 53 CO -0.11 -0.21 0.17 0.08 -0.55 0.00 0.00 175.29 174.66 1ous s VAL 54 N -0.68 5.36 0.42 1.34 1.01 -1.26 -1.14 120.40 125.44 1ous s VAL 54 Ca -0.08 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.20 1ous s VAL 54 Cb -0.03 -3.51 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 1ous s VAL 54 CO 0.06 0.36 0.03 -0.76 0.00 0.00 0.00 175.10 174.79 1ous s LEU 55 N 0.89 2.89 -0.10 3.92 1.43 0.43 -4.95 118.68 123.18 1ous s LEU 55 Ca 0.09 -1.34 0.01 0.00 -1.03 0.00 0.00 54.13 51.85 1ous s LEU 55 Cb -0.13 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 1ous s LEU 55 CO 0.03 -0.48 -0.13 0.21 0.23 0.00 0.00 176.35 176.21 1ous s ASN 56 N -3.74 4.09 0.17 2.29 3.84 -1.26 -0.79 114.94 119.53 1ous s ASN 56 Ca 0.35 -0.26 0.21 0.00 0.21 0.00 0.00 52.86 53.36 1ous s ASN 56 Cb 0.09 -1.33 0.86 0.00 -0.55 0.00 0.00 41.25 40.32 1ous s ASN 56 CO 0.18 0.24 1.63 -1.54 -2.79 0.00 0.00 177.10 174.82 1ous n SER 57 N 3.03 0.45 0.00 -4.21 3.41 0.19 -4.96 113.62 111.53 1ous n SER 57 Ca -0.18 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1ous n SER 57 Cb 0.53 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1ous n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ous n GLY 58 N 0.00 -0.13 0.07 5.00 0.00 -1.26 -2.20 105.19 106.68 1ous n GLY 58 Ca 0.03 -1.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.98 1ous n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ous h SER 59 N 2.48 0.00 0.00 1.61 4.64 -1.96 0.12 113.55 120.44 1ous h SER 59 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1ous h SER 59 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 1ous h SER 59 CO 0.00 0.91 -2.43 -0.24 -0.87 0.00 0.00 176.83 174.21 1ous n SER 60 N -3.32 1.08 0.00 4.97 2.88 -1.26 -4.74 113.62 113.23 1ous n SER 60 Ca 0.00 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1ous n SER 60 Cb 0.91 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 1ous n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ous n GLY 61 N 2.03 0.70 3.67 0.46 0.00 -0.93 -4.73 105.19 106.40 1ous n GLY 61 Ca -0.40 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.20 4.30 -0.09 1.61 2.20 -1.26 -0.34 119.74 125.95 1ous s LYS 62 Ca 0.00 1.61 0.02 0.00 -0.36 0.00 0.00 55.97 57.24 1ous s LYS 62 Cb 0.00 -3.65 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1ous s LYS 62 CO 0.00 -0.57 -0.13 0.08 -0.36 0.00 0.00 175.35 174.37 1ous s VAL 63 N 2.85 1.29 -0.04 4.02 1.01 -0.24 -0.25 120.40 129.04 1ous s VAL 63 Ca 0.53 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1ous s VAL 63 Cb -0.22 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1ous s VAL 63 CO 0.17 0.40 -0.10 -1.58 0.00 0.00 0.00 175.10 173.98 1ous s GLN 64 N 0.94 1.29 -0.16 2.72 0.74 0.06 -0.54 119.66 124.71 1ous s GLN 64 Ca -0.09 -0.35 -0.06 0.00 0.05 0.00 0.00 55.36 54.92 1ous s GLN 64 Cb -0.15 -1.14 -0.04 0.00 1.10 0.00 0.00 33.01 32.79 1ous s GLN 64 CO 0.00 0.07 0.04 0.08 -0.55 0.00 0.00 175.29 174.93 1ous s VAL 65 N 0.44 4.60 -0.07 1.34 1.01 0.10 -0.65 120.40 127.18 1ous s VAL 65 Ca -0.08 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1ous s VAL 65 Cb -0.12 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1ous s VAL 65 CO 0.02 0.50 -0.19 -1.10 0.00 0.00 0.00 175.10 174.33 1ous s GLN 66 N 0.07 2.23 -0.05 2.72 -1.52 -0.10 -4.80 119.66 118.21 1ous s GLN 66 Ca 0.04 -0.66 0.05 0.00 -1.95 0.00 0.00 55.36 52.83 1ous s GLN 66 Cb -0.12 -1.80 -0.00 0.00 -0.22 0.00 0.00 33.01 30.86 1ous s GLN 66 CO 0.01 0.17 -0.19 0.08 -0.25 0.00 0.00 175.29 175.11 1ous s VAL 67 N 0.30 1.60 0.02 1.09 1.01 -1.26 -0.59 120.40 122.57 1ous s VAL 67 Ca -0.12 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1ous s VAL 67 Cb -0.15 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1ous s VAL 67 CO 0.05 0.45 0.01 -0.94 0.00 0.00 0.00 175.10 174.67 1ous s SER 68 N 0.05 0.24 -0.12 3.32 1.04 -0.26 -0.65 113.70 117.33 1ous s SER 68 Ca -0.06 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 1ous s SER 68 Cb -0.13 0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.17 1ous s SER 68 CO 0.03 -0.38 -0.02 -0.69 0.98 0.00 0.00 173.24 173.16 1ous s VAL 69 N -1.99 0.69 -1.47 5.02 1.01 -0.06 -0.91 120.40 122.70 1ous s VAL 69 Ca -0.11 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1ous s VAL 69 Cb -0.06 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.49 1ous s VAL 69 CO -0.03 0.16 0.86 0.59 0.00 0.00 0.00 175.10 176.69 1ous n ASN 70 N 5.03 -3.45 0.00 3.32 4.13 -1.26 -1.70 115.26 121.33 1ous n ASN 70 Ca -0.10 -0.81 0.00 0.00 1.68 0.00 0.00 54.58 55.35 1ous n ASN 70 Cb 0.49 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.89 1ous n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ous n GLY 71 N -1.67 2.49 3.59 7.41 0.00 -1.26 -5.02 105.19 110.73 1ous n GLY 71 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 1ous n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ous s ARG 72 N -0.17 3.93 0.37 1.61 3.52 -0.69 -5.05 118.95 122.46 1ous s ARG 72 Ca 0.00 -0.35 -0.28 0.00 -0.13 0.00 0.00 55.73 54.97 1ous s ARG 72 Cb 0.00 -3.41 -0.11 0.00 -1.56 0.00 0.00 34.95 29.88 1ous s ARG 72 CO 0.00 0.03 1.47 -2.14 -0.81 0.00 0.00 175.30 173.85 1ous s PRO 73 N 1.08 4.14 0.09 5.12 0.02 -1.26 -0.88 135.00 143.30 1ous s PRO 73 Ca 0.06 2.53 -0.10 0.00 0.02 0.00 0.00 61.00 63.52 1ous s PRO 73 Cb -0.14 -2.98 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 1ous s PRO 73 CO 0.04 -0.50 0.41 -1.12 -0.33 0.00 0.00 177.00 175.50 1ous s SER 74 N -0.16 6.64 0.35 2.53 0.01 0.17 -4.87 113.70 118.36 1ous s SER 74 Ca 0.53 0.79 -0.27 0.00 1.31 0.00 0.00 55.95 58.30 1ous s SER 74 Cb -0.46 -2.18 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 1ous s SER 74 CO 0.62 0.16 1.19 -0.62 0.41 0.00 0.00 173.24 174.99 1ous s ASP 75 N -1.82 6.79 0.17 2.44 2.15 -0.90 -4.75 116.67 120.76 1ous s ASP 75 Ca 0.34 2.42 0.10 0.00 0.43 0.00 0.00 52.55 55.84 1ous s ASP 75 Cb -0.14 -2.63 -0.04 0.00 -0.30 0.00 0.00 42.92 39.81 1ous s ASP 75 CO 0.19 -0.49 -0.15 -0.76 -0.17 0.00 0.00 175.17 173.78 1ous s LEU 76 N -2.02 2.76 0.01 -1.34 1.43 -1.26 -0.93 118.68 117.33 1ous s LEU 76 Ca 0.51 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1ous s LEU 76 Cb -0.34 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1ous s LEU 76 CO 0.43 0.12 -0.09 0.68 0.23 0.00 0.00 176.35 177.73 1ous s VAL 77 N -1.57 0.70 0.22 -1.59 -7.23 -0.52 -4.85 120.40 105.57 1ous s VAL 77 Ca 0.22 -0.56 -0.18 0.00 -1.81 0.00 0.00 61.98 59.66 1ous s VAL 77 Cb -0.09 -0.62 0.02 0.00 0.56 0.00 0.00 36.38 36.25 1ous s VAL 77 CO 0.13 0.07 0.57 -0.94 -0.31 0.00 0.00 175.10 174.62 1ous s SER 78 N -0.54 -0.25 -0.09 4.85 1.04 -1.26 -0.58 113.70 116.87 1ous s SER 78 Ca 0.01 -0.56 -0.32 0.00 0.48 0.00 0.00 55.95 55.56 1ous s SER 78 Cb -0.05 0.62 0.12 0.00 0.10 0.00 0.00 66.02 66.81 1ous s SER 78 CO 0.00 -1.14 1.09 0.00 0.98 0.00 0.00 173.24 174.17 1ous s ALA 79 N -3.90 -1.98 -0.02 5.32 0.00 -0.87 -4.92 121.76 115.39 1ous s ALA 79 Ca 0.11 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.38 1ous s ALA 79 Cb -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1ous s ALA 79 CO 0.01 -0.69 -0.24 -1.14 0.00 0.00 0.00 175.76 173.70 1ous s GLN 80 N -2.71 1.94 -0.01 0.00 0.74 -1.26 -0.58 119.66 117.78 1ous s GLN 80 Ca 0.08 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.68 1ous s GLN 80 Cb -0.01 -1.87 -0.01 0.00 1.10 0.00 0.00 33.01 32.23 1ous s GLN 80 CO -0.06 0.51 -0.11 0.08 -0.55 0.00 0.00 175.29 175.17 1ous s VAL 81 N -0.55 0.84 -0.12 1.34 1.01 0.09 -4.99 120.40 118.02 1ous s VAL 81 Ca 0.09 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1ous s VAL 81 Cb -0.09 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1ous s VAL 81 CO -0.01 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.53 1ous s ILE 82 N -0.22 1.64 -0.04 2.22 1.01 -1.26 -0.80 121.20 123.75 1ous s ILE 82 Ca 0.04 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.96 1ous s ILE 82 Cb -0.04 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1ous s ILE 82 CO -0.00 0.47 0.00 -0.76 0.00 0.00 0.00 174.94 174.65 1ous s LEU 83 N 0.95 3.53 -1.36 2.97 1.43 0.44 -4.53 118.68 122.12 1ous s LEU 83 Ca -0.06 0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 1ous s LEU 83 Cb -0.15 -1.92 0.14 0.00 0.03 0.00 0.00 46.19 44.29 1ous s LEU 83 CO -0.02 0.33 0.49 1.07 0.23 0.00 0.00 176.35 178.45 1ous n THR 84 N 1.76 -0.40 -2.16 5.49 5.66 -1.26 -1.11 114.28 122.26 1ous n THR 84 Ca -0.16 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.70 1ous n THR 84 Cb 0.53 -0.90 -0.02 0.00 -1.55 0.00 0.00 70.33 68.39 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 -2.27 -4.15 0.00 1.09 5.15 -1.26 -4.66 115.26 109.16 1ous n ASN 85 Ca 0.06 0.20 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 1ous n ASN 85 Cb 0.49 -3.59 0.00 0.00 -0.53 0.00 0.00 39.78 36.15 1ous n ASN 85 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ous n GLU 86 N -2.60 0.00 -2.84 1.20 0.00 -0.26 -5.08 120.64 111.06 1ous n GLU 86 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.58 1ous n GLU 86 Cb 0.58 -0.18 -0.04 0.00 0.00 0.00 0.00 31.44 31.81 1ous n GLU 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1ous s LEU 87 N -3.96 4.05 -0.10 4.31 2.96 -0.33 -4.38 118.68 121.23 1ous s LEU 87 Ca 0.00 0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 54.77 1ous s LEU 87 Cb 0.00 -3.24 -0.03 0.00 0.50 0.00 0.00 46.19 43.41 1ous s LEU 87 CO 0.00 -0.66 -0.01 0.20 -1.32 0.00 0.00 176.35 174.56 1ous s ASN 88 N 1.54 5.09 -0.05 3.68 -0.87 -0.23 -0.42 114.94 123.68 1ous s ASN 88 Ca 0.37 0.06 0.03 0.00 -1.57 0.00 0.00 52.86 51.75 1ous s ASN 88 Cb -0.14 -1.52 0.00 0.00 -0.02 0.00 0.00 41.25 39.57 1ous s ASN 88 CO 0.12 0.32 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.47 1ous s PHE 89 N -0.55 1.45 -0.14 2.20 0.08 0.02 -1.85 117.98 119.19 1ous s PHE 89 Ca 0.09 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.70 1ous s PHE 89 Cb -0.12 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 41.32 1ous s PHE 89 CO 0.02 -0.19 -0.17 0.00 -0.10 0.00 0.00 175.22 174.78 1ous s ALA 90 N 0.28 2.42 -0.03 5.36 0.00 0.17 -0.73 121.76 129.23 1ous s ALA 90 Ca -0.07 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 50.92 1ous s ALA 90 Cb -0.12 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1ous s ALA 90 CO 0.02 0.02 -0.25 -0.51 0.00 0.00 0.00 175.76 175.04 1ous s LEU 91 N 0.73 2.08 -0.02 0.00 1.43 0.25 -0.73 118.68 122.42 1ous s LEU 91 Ca -0.07 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1ous s LEU 91 Cb -0.16 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1ous s LEU 91 CO 0.01 0.30 -0.04 -0.69 0.23 0.00 0.00 176.35 176.16 1ous s VAL 92 N -0.50 0.41 0.16 -1.59 1.01 -0.25 -2.04 120.40 117.59 1ous s VAL 92 Ca 0.07 -0.13 0.11 0.00 0.00 0.00 0.00 61.98 62.02 1ous s VAL 92 Cb -0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1ous s VAL 92 CO 0.00 0.16 -0.25 -0.83 0.00 0.00 0.00 175.10 174.18 1ous s GLY 93 N 0.42 1.61 0.01 4.51 0.00 0.25 -0.75 107.32 113.37 1ous s GLY 93 Ca -0.05 -1.53 -0.01 0.00 0.00 0.00 0.00 44.72 43.13 1ous s GLY 93 CO -0.00 -1.53 0.01 -1.35 0.00 0.00 0.00 173.10 170.23 1ous s SER 94 N -2.32 0.14 -0.16 1.64 1.04 -0.78 -1.43 113.70 111.83 1ous s SER 94 Ca 0.16 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.28 1ous s SER 94 Cb -0.09 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1ous s SER 94 CO 0.07 -0.24 -0.15 -0.70 0.98 0.00 0.00 173.24 173.20 1ous s GLU 95 N -1.10 2.40 0.00 4.02 2.56 -0.11 -2.16 118.70 124.31 1ous s GLU 95 Ca -0.12 -0.65 0.24 0.00 0.00 0.00 0.00 54.97 54.43 1ous s GLU 95 Cb -0.07 -2.24 0.21 0.00 2.00 0.00 0.00 34.13 34.03 1ous s GLU 95 CO -0.00 -0.26 1.27 -0.40 -0.56 0.00 0.00 175.26 175.30 1ous n ASP 96 N 4.73 3.03 0.00 -1.70 5.68 -1.26 -2.12 116.55 124.91 1ous n ASP 96 Ca -0.17 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 1ous n ASP 96 Cb 0.50 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 1.35 5.57 0.86 6.12 0.00 -1.26 -5.05 105.19 112.78 1ous n GLY 97 Ca 0.14 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 -0.87 2.61 -2.24 -1.26 -4.97 114.28 107.55 1ous n THR 98 Ca 0.00 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 1ous n THR 98 Cb 0.00 1.45 0.17 0.00 -2.10 0.00 0.00 70.33 69.85 1ous n THR 98 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ous s ASP 99 N -1.80 2.70 -0.02 3.42 -0.00 -1.26 -4.97 116.67 114.73 1ous s ASP 99 Ca 0.25 1.74 0.07 0.00 -0.00 0.00 0.00 52.55 54.61 1ous s ASP 99 Cb 0.18 -2.36 0.18 0.00 -0.00 0.00 0.00 42.92 40.92 1ous s ASP 99 CO 0.27 -3.16 1.14 -0.46 -0.00 0.00 0.00 175.17 172.96 1ous n ASN 100 N -4.25 2.51 -0.21 0.27 6.94 -1.26 -4.68 115.26 114.59 1ous n ASN 100 Ca 0.08 -2.16 0.12 0.00 -0.02 0.00 0.00 54.58 52.60 1ous n ASN 100 Cb 0.54 -0.16 0.13 0.00 -2.36 0.00 0.00 39.78 37.93 1ous n ASN 100 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1ous n ASP 101 N -0.19 1.18 -4.02 0.53 5.68 -1.26 -5.00 116.55 113.47 1ous n ASP 101 Ca 0.07 -0.95 -0.30 0.00 -0.50 0.00 0.00 54.79 53.12 1ous n ASP 101 Cb 0.39 0.45 -0.01 0.00 -1.14 0.00 0.00 41.12 40.81 1ous n ASP 101 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1ous n TYR 102 N -0.85 -1.85 -0.02 2.11 4.01 -1.26 -4.87 117.16 114.43 1ous n TYR 102 Ca 0.08 0.81 0.04 0.00 -0.16 0.00 0.00 57.90 58.67 1ous n TYR 102 Cb 0.37 -3.57 0.09 0.00 -0.31 0.00 0.00 39.34 35.92 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 -2.84 2.43 -0.27 7.72 6.94 -1.16 -1.86 115.26 126.21 1ous n ASN 103 Ca -0.10 -1.84 -0.02 0.00 -0.02 0.00 0.00 54.58 52.60 1ous n ASN 103 Cb 0.58 -0.13 0.10 0.00 -2.36 0.00 0.00 39.78 37.97 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 1.48 0.76 -3.34 0.53 3.32 -1.58 -3.19 116.42 114.40 1ous h ASP 104 Ca 0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1ous h ASP 104 Cb 0.59 -0.16 -0.38 0.00 0.22 0.00 0.00 39.33 39.60 1ous h ASP 104 CO 0.00 0.52 -0.74 0.00 -1.72 0.00 0.00 179.24 177.30 1ous s ALA 105 N -6.10 0.21 -0.10 3.45 0.00 -1.25 -1.16 121.76 116.80 1ous s ALA 105 Ca -0.13 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1ous s ALA 105 Cb 0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1ous s ALA 105 CO 0.78 -0.43 -0.19 0.08 0.00 0.00 0.00 175.76 176.00 1ous s VAL 106 N 2.00 2.55 -0.08 0.00 1.01 -0.07 -1.97 120.40 123.85 1ous s VAL 106 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1ous s VAL 106 Cb -0.12 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 1ous s VAL 106 CO -0.03 0.55 -0.23 -0.69 0.00 0.00 0.00 175.10 174.70 1ous s VAL 107 N 0.21 1.93 -0.11 2.92 1.01 0.07 -0.29 120.40 126.14 1ous s VAL 107 Ca -0.12 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1ous s VAL 107 Cb -0.16 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1ous s VAL 107 CO 0.06 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.80 1ous s VAL 108 N 0.24 1.89 -0.09 2.92 1.01 0.06 -1.09 120.40 125.34 1ous s VAL 108 Ca -0.14 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 60.98 1ous s VAL 108 Cb -0.16 -1.66 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 1ous s VAL 108 CO 0.07 0.52 -0.23 -0.63 0.00 0.00 0.00 175.10 174.83 1ous s ILE 109 N 0.58 2.14 0.01 2.22 1.01 0.09 -1.18 121.20 126.07 1ous s ILE 109 Ca -0.14 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.54 1ous s ILE 109 Cb -0.17 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1ous s ILE 109 CO 0.04 0.56 -0.09 0.54 0.00 0.00 0.00 174.94 175.99 1ous s ASN 110 N 0.23 1.10 0.23 3.58 4.22 -0.67 -0.66 114.94 122.98 1ous s ASN 110 Ca -0.15 -0.25 -0.22 0.00 -2.14 0.00 0.00 52.86 50.10 1ous s ASN 110 Cb -0.17 -0.09 0.04 0.00 1.28 0.00 0.00 41.25 42.30 1ous s ASN 110 CO 0.08 0.06 0.76 -1.66 -2.04 0.00 0.00 177.10 174.30 1ous s TRP 111 N -0.44 -0.22 0.02 1.54 -2.14 -0.77 -0.81 118.94 116.12 1ous s TRP 111 Ca 0.02 -0.17 -0.23 0.00 2.66 0.00 0.00 56.10 58.38 1ous s TRP 111 Cb -0.05 0.67 -0.05 0.00 -3.10 0.00 0.00 33.47 30.94 1ous s TRP 111 CO 0.00 -1.09 0.69 -1.25 -2.66 0.00 0.00 176.95 172.64 1ous s PRO 112 N -3.74 4.41 0.05 3.25 0.04 -1.26 -1.07 135.00 136.68 1ous s PRO 112 Ca 0.10 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 1ous s PRO 112 Cb -0.04 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 1ous s PRO 112 CO 0.03 0.33 0.40 -0.51 0.04 0.00 0.00 177.00 177.29 1ous s LEU 113 N -0.13 4.39 0.00 -3.56 1.43 -0.28 -5.00 118.68 115.53 1ous s LEU 113 Ca 0.35 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1ous s LEU 113 Cb -0.19 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1ous s LEU 113 CO 0.20 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.62