#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dcq s THR 2 N 0.00 2.39 0.08 0.00 2.01 -1.26 -5.01 115.64 113.84 3dcq s THR 2 Ca 0.00 0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.36 3dcq s THR 2 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3dcq s THR 2 CO 0.00 0.05 -0.06 -1.10 -0.69 0.00 0.00 174.62 172.82 3dcq s GLN 3 N -2.31 0.72 0.00 4.92 -1.52 -1.26 -4.84 119.66 115.37 3dcq s GLN 3 Ca 0.58 -1.18 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 3dcq s GLN 3 Cb -0.41 -0.13 0.00 0.00 -0.22 0.00 0.00 33.01 32.25 3dcq s GLN 3 CO 0.52 -0.02 0.00 0.41 -0.25 0.00 0.00 175.29 175.95 3dcq n GLY 4 N 0.32 0.57 3.38 3.09 0.00 -1.26 -4.90 105.19 106.40 3dcq n GLY 4 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3dcq n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dcq s VAL 5 N -2.20 3.03 0.01 1.61 1.01 -1.26 -0.55 120.40 122.04 3dcq s VAL 5 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3dcq s VAL 5 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3dcq s VAL 5 CO 0.00 0.53 -0.04 -0.36 0.00 0.00 0.00 175.10 175.24 3dcq s PHE 6 N 0.20 0.34 -0.34 5.22 0.08 0.22 -5.01 117.98 118.69 3dcq s PHE 6 Ca -0.08 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 3dcq s PHE 6 Cb -0.15 -0.22 0.00 0.00 -0.57 0.00 0.00 43.02 42.08 3dcq s PHE 6 CO 0.05 -0.03 0.20 0.99 -0.10 0.00 0.00 175.22 176.33 3dcq s THR 7 N -0.40 4.80 0.40 0.64 2.01 -1.26 -0.71 115.64 121.12 3dcq s THR 7 Ca -0.02 -0.51 0.08 0.00 0.31 0.00 0.00 61.69 61.55 3dcq s THR 7 Cb -0.03 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 3dcq s THR 7 CO -0.00 -0.06 0.44 -0.76 -0.69 0.00 0.00 174.62 173.55 3dcq s LEU 8 N 1.63 3.58 0.67 4.42 1.02 0.87 -5.00 118.68 125.87 3dcq s LEU 8 Ca 0.04 -0.53 -0.16 0.00 0.02 0.00 0.00 54.13 53.51 3dcq s LEU 8 Cb -0.18 -2.37 0.01 0.00 0.02 0.00 0.00 46.19 43.67 3dcq s LEU 8 CO 0.08 -0.62 1.15 -2.16 0.02 0.00 0.00 176.35 174.81 3dcq s PRO 9 N -4.19 2.65 0.68 1.29 0.04 -1.26 -4.39 135.00 129.81 3dcq s PRO 9 Ca 0.49 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.91 3dcq s PRO 9 Cb -0.07 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.57 3dcq s PRO 9 CO 0.30 -1.40 1.19 0.00 0.04 0.00 0.00 177.00 177.14 3dcq s ALA 10 N -2.15 2.28 -1.80 8.56 0.00 -1.26 -3.62 121.76 123.77 3dcq s ALA 10 Ca 0.70 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 53.33 3dcq s ALA 10 Cb -0.24 -3.45 0.20 0.00 0.00 0.00 0.00 23.12 19.63 3dcq s ALA 10 CO 0.41 -1.60 0.61 0.09 0.00 0.00 0.00 175.76 175.27 3dcq n ASN 11 N -2.38 -2.04 -4.50 0.00 3.02 0.21 -4.88 115.26 104.69 3dcq n ASN 11 Ca 0.13 -1.18 -0.33 0.00 -0.03 0.00 0.00 54.58 53.17 3dcq n ASN 11 Cb 0.50 -1.97 -0.12 0.00 -0.61 0.00 0.00 39.78 37.58 3dcq n ASN 11 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dcq s THR 12 N -3.35 3.54 0.25 3.41 2.01 -1.24 -4.79 115.64 115.47 3dcq s THR 12 Ca 0.74 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 3dcq s THR 12 Cb -0.42 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 69.51 3dcq s THR 12 CO 1.00 0.55 1.09 -0.13 -0.69 0.00 0.00 174.62 176.44 3dcq s ARG 13 N -0.18 4.64 0.04 4.92 0.52 -1.26 -0.41 118.95 127.22 3dcq s ARG 13 Ca 0.02 1.77 -0.05 0.00 -0.52 0.00 0.00 55.73 56.95 3dcq s ARG 13 Cb -0.13 -3.22 -0.01 0.00 0.52 0.00 0.00 34.95 32.11 3dcq s ARG 13 CO 0.03 0.19 0.08 -0.59 0.02 0.00 0.00 175.30 175.02 3dcq s PHE 14 N -0.92 0.25 0.01 -0.53 -0.71 0.78 -4.06 117.98 112.80 3dcq s PHE 14 Ca 0.46 -0.59 -0.02 0.00 -1.04 0.00 0.00 56.93 55.74 3dcq s PHE 14 Cb -0.31 -0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 3dcq s PHE 14 CO 0.39 -0.37 0.17 0.20 -1.34 0.00 0.00 175.22 174.28 3dcq s GLY 15 N -2.25 2.16 -0.05 1.99 0.00 0.27 -1.07 107.32 108.37 3dcq s GLY 15 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.89 3dcq s GLY 15 CO -0.06 -0.71 -0.02 0.54 0.00 0.00 0.00 173.10 172.85 3dcq s VAL 16 N -1.36 0.37 -0.02 1.40 0.11 -0.10 -1.04 120.40 119.76 3dcq s VAL 16 Ca 0.29 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.38 3dcq s VAL 16 Cb -0.13 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 3dcq s VAL 16 CO 0.21 0.21 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.22 3dcq s THR 17 N 1.25 0.64 -0.02 5.04 2.01 0.03 -1.11 115.64 123.48 3dcq s THR 17 Ca -0.06 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 61.70 3dcq s THR 17 Cb -0.13 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 3dcq s THR 17 CO -0.02 0.20 -0.21 0.00 -0.69 0.00 0.00 174.62 173.90 3dcq s ALA 18 N 0.08 1.79 0.06 7.40 0.00 0.61 -0.42 121.76 131.28 3dcq s ALA 18 Ca -0.01 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.13 3dcq s ALA 18 Cb -0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3dcq s ALA 18 CO -0.00 0.42 -0.26 -0.06 0.00 0.00 0.00 175.76 175.86 3dcq s PHE 19 N -0.42 2.34 -0.01 0.00 0.08 0.10 -0.86 117.98 119.22 3dcq s PHE 19 Ca 0.06 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.79 3dcq s PHE 19 Cb -0.09 -1.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.97 3dcq s PHE 19 CO -0.00 0.18 -0.23 0.00 -0.10 0.00 0.00 175.22 175.07 3dcq s ALA 20 N -0.87 2.33 -0.45 5.36 0.00 -0.76 -0.73 121.76 126.64 3dcq s ALA 20 Ca 0.12 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 51.02 3dcq s ALA 20 Cb -0.10 -0.64 0.23 0.00 0.00 0.00 0.00 23.12 22.61 3dcq s ALA 20 CO 0.03 0.54 0.68 0.09 0.00 0.00 0.00 175.76 177.10 3dcq n ASN 21 N 2.18 -1.53 -3.54 0.00 3.02 -0.31 -1.65 115.26 113.43 3dcq n ASN 21 Ca -0.16 -2.95 -0.11 0.00 -0.03 0.00 0.00 54.58 51.32 3dcq n ASN 21 Cb 0.52 0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 40.28 3dcq n ASN 21 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3dcq s SER 22 N -1.11 -0.43 0.47 6.41 0.15 0.39 -3.80 113.70 115.77 3dcq s SER 22 Ca 0.33 0.34 0.26 0.00 0.70 0.00 0.00 55.95 57.58 3dcq s SER 22 Cb 0.17 0.38 0.99 0.00 -1.71 0.00 0.00 66.02 65.85 3dcq s SER 22 CO -0.17 -0.48 1.85 0.28 1.20 0.00 0.00 173.24 175.91 3dcq h SER 23 N 2.47 0.00 -3.52 5.45 0.02 -1.96 -3.32 113.55 112.69 3dcq h SER 23 Ca -0.21 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.21 3dcq h SER 23 Cb 1.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 3dcq h SER 23 CO 0.33 0.16 0.08 -0.83 -1.14 0.00 0.00 176.83 175.42 3dcq s GLY 24 N -4.25 2.61 -0.08 -3.77 0.00 -1.26 -4.93 107.32 95.64 3dcq s GLY 24 Ca 0.01 0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.56 3dcq s GLY 24 CO 0.61 0.48 1.42 -1.59 0.00 0.00 0.00 173.10 174.02 3dcq s THR 25 N -1.48 3.91 0.15 0.90 2.01 -1.26 -4.73 115.64 115.13 3dcq s THR 25 Ca 0.41 1.17 -0.19 0.00 0.31 0.00 0.00 61.69 63.39 3dcq s THR 25 Cb -0.17 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 3dcq s THR 25 CO 0.21 -0.07 0.64 -1.10 -0.69 0.00 0.00 174.62 173.61 3dcq s GLN 26 N 3.27 4.21 -0.17 4.92 -1.52 -0.04 -4.13 119.66 126.20 3dcq s GLN 26 Ca 0.63 0.77 0.00 0.00 -1.95 0.00 0.00 55.36 54.81 3dcq s GLN 26 Cb -0.28 -3.06 0.03 0.00 -0.22 0.00 0.00 33.01 29.48 3dcq s GLN 26 CO 0.23 0.52 -0.12 0.99 -0.25 0.00 0.00 175.29 176.66 3dcq s THR 27 N -1.32 1.55 -0.18 -0.19 2.01 0.28 -1.38 115.64 116.41 3dcq s THR 27 Ca 0.36 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 3dcq s THR 27 Cb -0.18 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.78 3dcq s THR 27 CO 0.20 0.32 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.68 3dcq s VAL 28 N 1.47 3.24 -0.13 3.82 1.01 0.89 -0.72 120.40 129.97 3dcq s VAL 28 Ca 0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3dcq s VAL 28 Cb -0.14 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 3dcq s VAL 28 CO -0.09 0.48 -0.12 0.20 0.00 0.00 0.00 175.10 175.56 3dcq s ASN 29 N 0.90 4.06 -0.24 3.32 -0.87 0.41 -0.60 114.94 121.92 3dcq s ASN 29 Ca -0.02 -0.32 -0.04 0.00 -1.57 0.00 0.00 52.86 50.91 3dcq s ASN 29 Cb -0.15 -1.62 -0.00 0.00 -0.02 0.00 0.00 41.25 39.46 3dcq s ASN 29 CO 0.00 0.16 -0.02 -0.69 -2.57 0.00 0.00 177.10 173.99 3dcq s VAL 30 N 0.37 3.47 -0.14 1.60 1.01 0.52 -0.94 120.40 126.29 3dcq s VAL 30 Ca -0.10 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 3dcq s VAL 30 Cb -0.16 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3dcq s VAL 30 CO 0.05 0.33 -0.03 -0.76 0.00 0.00 0.00 175.10 174.70 3dcq s LEU 31 N 1.47 3.32 -0.09 3.92 1.02 0.96 0.52 118.68 129.80 3dcq s LEU 31 Ca 0.05 -0.07 0.03 0.00 0.02 0.00 0.00 54.13 54.16 3dcq s LEU 31 Cb -0.15 -1.79 0.00 0.00 0.02 0.00 0.00 46.19 44.27 3dcq s LEU 31 CO -0.02 0.21 -0.21 -0.69 0.02 0.00 0.00 176.35 175.66 3dcq s VAL 32 N 0.10 1.85 -1.45 -1.59 1.01 0.21 -0.55 120.40 119.99 3dcq s VAL 32 Ca -0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 3dcq s VAL 32 Cb -0.13 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.67 3dcq s VAL 32 CO 0.03 0.51 0.66 0.59 0.00 0.00 0.00 175.10 176.89 3dcq n ASN 33 N 3.63 -5.17 -0.88 3.32 3.02 -0.83 -1.07 115.26 117.28 3dcq n ASN 33 Ca -0.20 -0.40 -0.12 0.00 -0.03 0.00 0.00 54.58 53.83 3dcq n ASN 33 Cb 0.53 -4.18 -0.05 0.00 -0.61 0.00 0.00 39.78 35.46 3dcq n ASN 33 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dcq n ASN 34 N -2.52 -4.74 -4.21 6.41 3.02 -1.26 -5.00 115.26 106.96 3dcq n ASN 34 Ca -0.05 0.28 -0.28 0.00 -0.03 0.00 0.00 54.58 54.51 3dcq n ASN 34 Cb 0.58 -3.25 -0.16 0.00 -0.61 0.00 0.00 39.78 36.34 3dcq n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3dcq s GLU 35 N -2.86 1.83 -0.04 3.52 8.01 -0.24 -5.05 118.70 123.87 3dcq s GLU 35 Ca 0.00 -0.74 -0.30 0.00 0.01 0.00 0.00 54.97 53.95 3dcq s GLU 35 Cb 0.00 -1.69 -0.06 0.00 -4.31 0.00 0.00 34.13 28.07 3dcq s GLU 35 CO 0.00 0.39 1.78 0.99 0.01 0.00 0.00 175.26 178.43 3dcq s THR 36 N -0.33 3.38 -0.09 3.63 2.01 -1.26 -0.62 115.64 122.36 3dcq s THR 36 Ca 0.04 0.46 0.17 0.00 0.31 0.00 0.00 61.69 62.67 3dcq s THR 36 Cb -0.10 -3.31 -0.25 0.00 0.01 0.00 0.00 72.50 68.85 3dcq s THR 36 CO 0.00 -0.06 0.25 0.00 -0.69 0.00 0.00 174.62 174.12 3dcq n ALA 37 N 7.56 2.17 -3.34 7.40 0.00 0.18 -4.90 120.51 129.58 3dcq n ALA 37 Ca 0.19 -0.77 -0.15 0.00 0.00 0.00 0.00 53.44 52.71 3dcq n ALA 37 Cb 0.42 -0.39 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 3dcq n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dcq s ALA 38 N -2.89 -1.12 -0.08 0.00 0.00 -1.02 -5.01 121.76 111.64 3dcq s ALA 38 Ca -0.08 0.71 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 3dcq s ALA 38 Cb 0.09 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.23 3dcq s ALA 38 CO 0.74 -0.29 0.20 0.99 0.00 0.00 0.00 175.76 177.40 3dcq s THR 39 N -1.17 -0.02 0.00 0.00 2.01 -1.26 -0.35 115.64 114.85 3dcq s THR 39 Ca -0.12 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.00 3dcq s THR 39 Cb -0.03 -0.29 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 3dcq s THR 39 CO 0.06 0.03 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.50 3dcq s PHE 40 N 0.55 1.41 0.02 4.92 0.08 0.23 -4.97 117.98 120.22 3dcq s PHE 40 Ca -0.04 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.75 3dcq s PHE 40 Cb -0.05 -0.88 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 3dcq s PHE 40 CO -0.03 -0.00 -0.08 -1.12 -0.10 0.00 0.00 175.22 173.89 3dcq s SER 41 N -0.59 0.92 0.00 1.36 0.01 -1.26 -0.08 113.70 114.07 3dcq s SER 41 Ca 0.05 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.95 3dcq s SER 41 Cb -0.07 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.14 3dcq s SER 41 CO -0.00 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.20 3dcq n GLY 42 N 2.08 1.66 3.11 3.44 0.00 -0.48 -4.96 105.19 110.04 3dcq n GLY 42 Ca -0.18 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 3dcq n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dcq s GLN 43 N -2.00 1.69 -0.17 1.61 -0.44 -1.26 -0.86 119.66 118.23 3dcq s GLN 43 Ca 0.00 -0.55 -0.29 0.00 -2.50 0.00 0.00 55.36 52.02 3dcq s GLN 43 Cb 0.00 -1.46 0.11 0.00 -1.64 0.00 0.00 33.01 30.02 3dcq s GLN 43 CO 0.00 0.20 0.91 0.45 0.50 0.00 0.00 175.29 177.36 3dcq s SER 44 N 0.13 -0.48 -0.09 6.67 0.15 -1.25 -5.00 113.70 113.84 3dcq s SER 44 Ca -0.05 0.64 0.12 0.00 0.70 0.00 0.00 55.95 57.36 3dcq s SER 44 Cb -0.12 0.56 0.28 0.00 -1.71 0.00 0.00 66.02 65.02 3dcq s SER 44 CO 0.02 -0.36 1.19 0.35 1.20 0.00 0.00 173.24 175.65 3dcq n THR 45 N 1.21 1.62 -1.70 6.45 -2.24 -1.26 -0.46 114.28 117.91 3dcq n THR 45 Ca -0.13 -1.67 0.06 0.00 -2.27 0.00 0.00 64.05 60.04 3dcq n THR 45 Cb 0.57 0.05 0.18 0.00 -2.10 0.00 0.00 70.33 69.03 3dcq n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3dcq n ASN 46 N -0.69 1.63 -2.39 3.42 3.02 -1.26 -4.84 115.26 114.17 3dcq n ASN 46 Ca 0.13 -3.59 -0.19 0.00 -0.03 0.00 0.00 54.58 50.89 3dcq n ASN 46 Cb 0.57 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 39.26 3dcq n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dcq n ASN 47 N -0.91 -5.53 -4.75 6.41 5.15 -0.66 -4.94 115.26 110.04 3dcq n ASN 47 Ca 0.17 -0.12 -0.38 0.00 -0.60 0.00 0.00 54.58 53.65 3dcq n ASN 47 Cb 0.75 -4.48 0.04 0.00 -0.53 0.00 0.00 39.78 35.56 3dcq n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dcq s ALA 48 N -3.01 2.76 -0.66 5.20 0.00 -1.22 -4.57 121.76 120.25 3dcq s ALA 48 Ca 0.12 1.31 -0.23 0.00 0.00 0.00 0.00 51.96 53.16 3dcq s ALA 48 Cb -0.05 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.57 3dcq s ALA 48 CO 0.15 -1.40 1.01 0.08 0.00 0.00 0.00 175.76 175.60 3dcq s VAL 49 N -1.32 4.23 -1.66 0.00 1.01 -1.26 -1.84 120.40 119.57 3dcq s VAL 49 Ca 0.73 -0.20 0.30 0.00 0.00 0.00 0.00 61.98 62.82 3dcq s VAL 49 Cb -0.40 -4.71 0.63 0.00 0.00 0.00 0.00 36.38 31.90 3dcq s VAL 49 CO 0.46 -1.50 2.07 2.30 0.00 0.00 0.00 175.10 178.43 3dcq n ILE 50 N 6.01 0.00 0.00 2.22 -5.35 -0.04 -4.85 119.36 117.36 3dcq n ILE 50 Ca -0.02 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3dcq n ILE 50 Cb 0.46 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 3dcq n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dcq n GLY 51 N 1.20 1.70 3.32 3.28 0.00 -1.21 -4.38 105.19 109.10 3dcq n GLY 51 Ca 0.17 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 3dcq n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dcq s THR 52 N -1.06 -0.71 0.13 2.61 -1.32 -1.26 -0.28 115.64 113.75 3dcq s THR 52 Ca 0.00 0.14 -0.01 0.00 -1.21 0.00 0.00 61.69 60.61 3dcq s THR 52 Cb 0.00 -0.73 -0.04 0.00 -1.51 0.00 0.00 72.50 70.22 3dcq s THR 52 CO 0.00 0.06 0.03 -1.10 -2.21 0.00 0.00 174.62 171.40 3dcq s GLN 53 N 2.66 0.91 -0.17 7.08 -0.21 -0.27 -4.98 119.66 124.68 3dcq s GLN 53 Ca -0.02 -1.42 -0.04 0.00 0.02 0.00 0.00 55.36 53.90 3dcq s GLN 53 Cb -0.12 0.15 -0.02 0.00 1.00 0.00 0.00 33.01 34.02 3dcq s GLN 53 CO -0.14 -0.22 -0.04 0.08 -2.12 0.00 0.00 175.29 172.86 3dcq s VAL 54 N -3.97 3.77 0.21 1.09 1.01 -1.26 -0.93 120.40 120.33 3dcq s VAL 54 Ca 0.22 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3dcq s VAL 54 Cb 0.07 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3dcq s VAL 54 CO 0.00 0.47 -0.09 -0.76 0.00 0.00 0.00 175.10 174.73 3dcq s LEU 55 N 0.63 2.46 -0.15 3.92 1.43 -0.24 -4.94 118.68 121.80 3dcq s LEU 55 Ca -0.03 -1.09 -0.06 0.00 -1.03 0.00 0.00 54.13 51.92 3dcq s LEU 55 Cb -0.14 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 3dcq s LEU 55 CO 0.02 -0.31 0.08 0.21 0.23 0.00 0.00 176.35 176.58 3dcq s ASN 56 N -3.30 5.80 0.00 2.29 3.84 -1.26 -0.16 114.94 122.15 3dcq s ASN 56 Ca 0.24 0.20 0.07 0.00 0.21 0.00 0.00 52.86 53.58 3dcq s ASN 56 Cb 0.02 -1.91 0.32 0.00 -0.55 0.00 0.00 41.25 39.14 3dcq s ASN 56 CO 0.07 0.27 1.21 -1.54 -2.79 0.00 0.00 177.10 174.32 3dcq n SER 57 N 2.88 0.00 -0.76 -4.21 3.41 0.46 -4.87 113.62 110.52 3dcq n SER 57 Ca -0.18 0.45 0.06 0.00 -0.26 0.00 0.00 58.87 58.94 3dcq n SER 57 Cb 0.53 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 3dcq n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dcq n GLY 58 N -0.73 -1.71 0.28 5.00 0.00 -1.26 -2.09 105.19 104.68 3dcq n GLY 58 Ca 0.02 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3dcq n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dcq h SER 59 N -0.42 0.54 1.32 1.61 4.64 -1.94 0.60 113.55 119.91 3dcq h SER 59 Ca 0.01 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 3dcq h SER 59 Cb 0.41 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3dcq h SER 59 CO 0.00 0.56 -0.69 0.77 -0.87 0.00 0.00 176.83 176.60 3dcq h SER 60 N 0.56 0.00 0.00 4.97 4.64 -1.97 -3.43 113.55 118.32 3dcq h SER 60 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3dcq h SER 60 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3dcq h SER 60 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 3dcq n GLY 61 N 1.18 0.60 3.66 -0.77 0.00 -0.89 -4.79 105.19 104.18 3dcq n GLY 61 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3dcq n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dcq s LYS 62 N -0.40 4.22 -0.06 1.61 2.20 -1.26 -0.09 119.74 125.96 3dcq s LYS 62 Ca 0.00 1.53 0.04 0.00 -0.36 0.00 0.00 55.97 57.18 3dcq s LYS 62 Cb 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 3dcq s LYS 62 CO 0.00 -0.71 -0.18 0.08 -0.36 0.00 0.00 175.35 174.18 3dcq s VAL 63 N 3.45 1.56 -0.02 4.02 1.01 0.11 -1.96 120.40 128.57 3dcq s VAL 63 Ca 0.51 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3dcq s VAL 63 Cb -0.19 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 3dcq s VAL 63 CO 0.12 0.45 -0.11 -1.58 0.00 0.00 0.00 175.10 173.98 3dcq s GLN 64 N 0.25 0.98 -0.10 2.72 0.74 0.29 -0.61 119.66 123.94 3dcq s GLN 64 Ca -0.10 -0.37 -0.00 0.00 0.05 0.00 0.00 55.36 54.93 3dcq s GLN 64 Cb -0.14 -0.93 -0.02 0.00 1.10 0.00 0.00 33.01 33.01 3dcq s GLN 64 CO 0.04 0.19 -0.09 0.08 -0.55 0.00 0.00 175.29 174.96 3dcq s VAL 65 N -0.06 3.49 0.02 1.34 1.01 0.29 -0.03 120.40 126.46 3dcq s VAL 65 Ca 0.01 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3dcq s VAL 65 Cb -0.06 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3dcq s VAL 65 CO 0.00 0.55 -0.15 -1.10 0.00 0.00 0.00 175.10 174.40 3dcq s GLN 66 N -0.19 1.09 -0.04 2.72 -0.21 -0.12 -4.75 119.66 118.16 3dcq s GLN 66 Ca 0.02 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 54.75 3dcq s GLN 66 Cb -0.13 -1.09 0.01 0.00 1.00 0.00 0.00 33.01 32.80 3dcq s GLN 66 CO 0.03 0.29 -0.08 0.08 -2.12 0.00 0.00 175.29 173.48 3dcq s VAL 67 N -0.61 0.78 0.06 1.09 1.01 -1.26 -0.45 120.40 121.02 3dcq s VAL 67 Ca 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 3dcq s VAL 67 Cb -0.07 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3dcq s VAL 67 CO 0.00 0.26 0.06 -0.94 0.00 0.00 0.00 175.10 174.48 3dcq s SER 68 N 0.53 0.31 -0.22 3.32 1.04 0.10 -0.23 113.70 118.56 3dcq s SER 68 Ca -0.09 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 55.57 3dcq s SER 68 Cb -0.12 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.29 3dcq s SER 68 CO 0.01 -0.60 -0.09 -0.69 0.98 0.00 0.00 173.24 172.85 3dcq s VAL 69 N -3.52 1.70 -1.50 5.02 1.01 0.93 -0.56 120.40 123.47 3dcq s VAL 69 Ca 0.03 -1.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 3dcq s VAL 69 Cb 0.04 -1.84 0.07 0.00 0.00 0.00 0.00 36.38 34.66 3dcq s VAL 69 CO -0.09 0.05 0.87 0.59 0.00 0.00 0.00 175.10 176.52 3dcq n ASN 70 N 4.64 -3.62 0.00 3.32 5.03 -1.26 -1.04 115.26 122.32 3dcq n ASN 70 Ca -0.14 -0.83 0.00 0.00 0.87 0.00 0.00 54.58 54.48 3dcq n ASN 70 Cb 0.45 -3.72 0.00 0.00 -1.02 0.00 0.00 39.78 35.49 3dcq n ASN 70 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dcq n GLY 71 N -1.66 2.70 3.62 7.41 0.00 -1.26 -5.02 105.19 110.97 3dcq n GLY 71 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 3dcq n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dcq s ARG 72 N -0.55 4.04 0.32 1.61 1.70 -0.21 -5.01 118.95 120.85 3dcq s ARG 72 Ca 0.00 0.56 -0.29 0.00 -0.47 0.00 0.00 55.73 55.53 3dcq s ARG 72 Cb 0.00 -3.68 -0.10 0.00 -0.57 0.00 0.00 34.95 30.59 3dcq s ARG 72 CO 0.00 -0.52 1.42 -2.14 -1.08 0.00 0.00 175.30 172.98 3dcq s PRO 73 N 2.67 4.24 0.41 3.89 0.02 -1.26 -0.05 135.00 144.92 3dcq s PRO 73 Ca 0.28 2.37 -0.02 0.00 0.02 0.00 0.00 61.00 63.65 3dcq s PRO 73 Cb -0.15 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 3dcq s PRO 73 CO 0.10 -0.38 0.65 -1.12 -0.33 0.00 0.00 177.00 175.92 3dcq s SER 74 N -0.06 6.27 -0.01 2.53 0.01 0.69 -4.87 113.70 118.25 3dcq s SER 74 Ca 0.54 0.65 -0.28 0.00 1.31 0.00 0.00 55.95 58.18 3dcq s SER 74 Cb -0.43 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3dcq s SER 74 CO 0.52 -0.43 0.88 -0.62 0.41 0.00 0.00 173.24 174.00 3dcq s ASP 75 N -4.07 7.25 0.12 2.44 2.15 -0.42 -4.80 116.67 119.34 3dcq s ASP 75 Ca 0.43 1.50 0.03 0.00 0.43 0.00 0.00 52.55 54.95 3dcq s ASP 75 Cb -0.10 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 3dcq s ASP 75 CO 0.40 -0.18 0.17 -0.76 -0.17 0.00 0.00 175.17 174.62 3dcq s LEU 76 N 0.81 4.01 0.02 -1.34 1.43 -1.26 -0.91 118.68 121.44 3dcq s LEU 76 Ca 0.46 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 3dcq s LEU 76 Cb -0.20 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 3dcq s LEU 76 CO 0.25 0.11 -0.06 0.54 0.23 0.00 0.00 176.35 177.41 3dcq s VAL 77 N -1.62 0.41 0.22 -1.59 0.11 -0.44 -4.85 120.40 112.64 3dcq s VAL 77 Ca 0.32 -0.64 -0.22 0.00 -2.93 0.00 0.00 61.98 58.50 3dcq s VAL 77 Cb -0.11 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.35 3dcq s VAL 77 CO 0.25 -0.17 0.72 -0.94 -3.33 0.00 0.00 175.10 171.63 3dcq s SER 78 N -0.87 -0.34 0.04 3.54 1.04 -1.26 -0.42 113.70 115.43 3dcq s SER 78 Ca -0.05 -0.40 -0.28 0.00 0.48 0.00 0.00 55.95 55.70 3dcq s SER 78 Cb -0.06 0.65 0.09 0.00 0.10 0.00 0.00 66.02 66.81 3dcq s SER 78 CO 0.00 -1.17 1.05 0.00 0.98 0.00 0.00 173.24 174.10 3dcq s ALA 79 N -3.77 -1.87 0.00 5.32 0.00 -0.85 -4.90 121.76 115.69 3dcq s ALA 79 Ca 0.08 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.70 3dcq s ALA 79 Cb -0.04 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3dcq s ALA 79 CO 0.00 -0.92 -0.17 -1.14 0.00 0.00 0.00 175.76 173.53 3dcq s GLN 80 N -2.96 1.34 0.01 0.00 0.74 -1.26 -0.37 119.66 117.16 3dcq s GLN 80 Ca 0.11 -0.69 0.03 0.00 0.05 0.00 0.00 55.36 54.86 3dcq s GLN 80 Cb 0.00 -1.33 -0.01 0.00 1.10 0.00 0.00 33.01 32.77 3dcq s GLN 80 CO -0.02 0.36 -0.09 0.54 -0.55 0.00 0.00 175.29 175.52 3dcq s VAL 81 N -0.52 0.72 -0.09 1.34 0.11 -0.32 -5.00 120.40 116.64 3dcq s VAL 81 Ca 0.06 -0.57 0.03 0.00 -2.93 0.00 0.00 61.98 58.57 3dcq s VAL 81 Cb -0.07 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 3dcq s VAL 81 CO -0.00 0.07 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.01 3dcq s ILE 82 N -0.48 1.72 -0.03 7.04 1.01 -1.26 -1.56 121.20 127.64 3dcq s ILE 82 Ca 0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 3dcq s ILE 82 Cb -0.05 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 3dcq s ILE 82 CO 0.00 0.48 0.05 -0.76 0.00 0.00 0.00 174.94 174.72 3dcq s LEU 83 N 0.45 3.79 -1.12 2.97 1.43 0.57 -4.50 118.68 122.27 3dcq s LEU 83 Ca -0.17 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 3dcq s LEU 83 Cb -0.17 -2.11 0.14 0.00 0.03 0.00 0.00 46.19 44.07 3dcq s LEU 83 CO 0.07 0.30 0.36 1.07 0.23 0.00 0.00 176.35 178.39 3dcq n THR 84 N 1.47 -0.07 -1.99 5.49 5.66 -1.26 -0.80 114.28 122.79 3dcq n THR 84 Ca -0.15 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.68 3dcq n THR 84 Cb 0.53 -0.40 -0.04 0.00 -1.55 0.00 0.00 70.33 68.88 3dcq n THR 84 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3dcq n ASN 85 N -2.08 -4.72 0.00 1.09 5.15 -1.26 -4.65 115.26 108.79 3dcq n ASN 85 Ca 0.06 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 3dcq n ASN 85 Cb 0.48 -4.09 0.00 0.00 -0.53 0.00 0.00 39.78 35.63 3dcq n ASN 85 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3dcq n GLU 86 N -2.54 0.00 -3.36 1.20 4.07 0.02 -5.07 120.64 114.95 3dcq n GLU 86 Ca -0.19 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.52 3dcq n GLU 86 Cb 0.61 -0.41 -0.09 0.00 -0.06 0.00 0.00 31.44 31.49 3dcq n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3dcq s LEU 87 N -2.94 4.05 -0.08 4.31 2.96 -0.22 -4.39 118.68 122.36 3dcq s LEU 87 Ca 0.00 0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 54.25 3dcq s LEU 87 Cb 0.00 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.19 3dcq s LEU 87 CO 0.00 -0.19 -0.05 0.20 -1.32 0.00 0.00 176.35 174.99 3dcq s ASN 88 N 1.58 4.81 -0.08 3.68 -0.87 0.54 -0.32 114.94 124.28 3dcq s ASN 88 Ca 0.16 0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.46 3dcq s ASN 88 Cb -0.16 -1.33 0.02 0.00 -0.02 0.00 0.00 41.25 39.77 3dcq s ASN 88 CO 0.10 0.34 -0.07 -0.36 -2.57 0.00 0.00 177.10 174.54 3dcq s PHE 89 N -0.67 1.24 -0.19 2.20 0.40 -0.60 -1.74 117.98 118.61 3dcq s PHE 89 Ca 0.10 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 55.86 3dcq s PHE 89 Cb -0.11 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 3dcq s PHE 89 CO 0.02 -0.38 0.01 0.00 0.70 0.00 0.00 175.22 175.57 3dcq s ALA 90 N 1.37 3.11 -0.06 5.36 0.00 0.91 -1.17 121.76 131.28 3dcq s ALA 90 Ca -0.02 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.09 3dcq s ALA 90 Cb -0.14 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 3dcq s ALA 90 CO -0.04 0.00 -0.22 -0.51 0.00 0.00 0.00 175.76 174.99 3dcq s LEU 91 N 0.72 2.24 -0.02 0.00 1.43 0.50 -0.06 118.68 123.49 3dcq s LEU 91 Ca 0.00 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3dcq s LEU 91 Cb -0.14 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3dcq s LEU 91 CO 0.02 0.26 -0.08 -0.69 0.23 0.00 0.00 176.35 176.09 3dcq s VAL 92 N -0.25 0.68 0.26 -1.59 1.01 0.65 -2.01 120.40 119.14 3dcq s VAL 92 Ca -0.00 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.77 3dcq s VAL 92 Cb -0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3dcq s VAL 92 CO 0.03 0.21 -0.16 -0.83 0.00 0.00 0.00 175.10 174.35 3dcq s GLY 93 N 0.17 1.74 -0.07 4.51 0.00 0.44 -0.68 107.32 113.43 3dcq s GLY 93 Ca -0.02 -1.82 -0.20 0.00 0.00 0.00 0.00 44.72 42.68 3dcq s GLY 93 CO 0.00 -1.89 0.45 -1.35 0.00 0.00 0.00 173.10 170.32 3dcq s SER 94 N -3.44 -0.40 -0.14 1.64 1.04 -0.69 -1.33 113.70 110.38 3dcq s SER 94 Ca 0.27 0.48 0.02 0.00 0.48 0.00 0.00 55.95 57.21 3dcq s SER 94 Cb -0.02 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3dcq s SER 94 CO 0.12 -0.42 -0.20 -0.70 0.98 0.00 0.00 173.24 173.02 3dcq s GLU 95 N -0.88 2.84 0.00 4.02 2.56 -0.08 -2.02 118.70 125.14 3dcq s GLU 95 Ca -0.09 -0.79 0.15 0.00 0.00 0.00 0.00 54.97 54.24 3dcq s GLU 95 Cb -0.03 -2.34 0.11 0.00 2.00 0.00 0.00 34.13 33.86 3dcq s GLU 95 CO 0.05 -0.06 0.95 -0.40 -0.56 0.00 0.00 175.26 175.24 3dcq n ASP 96 N 4.20 2.17 0.00 -1.70 5.68 -1.26 -1.30 116.55 124.34 3dcq n ASP 96 Ca -0.20 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 3dcq n ASP 96 Cb 0.51 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 3dcq n ASP 96 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dcq n GLY 97 N 0.86 5.26 0.00 6.12 0.00 -1.26 -5.05 105.19 111.12 3dcq n GLY 97 Ca 0.08 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.30 3dcq n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dcq n THR 98 N 0.00 0.00 0.73 2.61 -2.24 -1.26 -4.69 114.28 109.43 3dcq n THR 98 Ca 0.00 -0.28 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 3dcq n THR 98 Cb 0.00 0.77 0.49 0.00 -2.10 0.00 0.00 70.33 69.49 3dcq n THR 98 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3dcq n ASP 99 N -1.27 0.38 -3.86 3.42 5.75 -1.26 -4.93 116.55 114.79 3dcq n ASP 99 Ca 0.00 0.55 -0.28 0.00 -0.01 0.00 0.00 54.79 55.05 3dcq n ASP 99 Cb 0.04 -0.65 0.03 0.00 -1.03 0.00 0.00 41.12 39.51 3dcq n ASP 99 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3dcq n ASN 100 N -1.87 -3.76 0.03 -1.12 3.02 -1.26 -4.88 115.26 105.41 3dcq n ASN 100 Ca 0.05 -0.79 0.12 0.00 -0.03 0.00 0.00 54.58 53.94 3dcq n ASN 100 Cb 0.34 -3.92 0.31 0.00 -0.61 0.00 0.00 39.78 35.90 3dcq n ASN 100 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3dcq n ASP 101 N -2.90 0.49 -2.25 6.41 3.85 -1.26 -4.93 116.55 115.96 3dcq n ASP 101 Ca -0.06 0.08 -0.10 0.00 -0.71 0.00 0.00 54.79 54.00 3dcq n ASP 101 Cb 0.57 -0.01 -0.01 0.00 -1.35 0.00 0.00 41.12 40.32 3dcq n ASP 101 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3dcq n TYR 102 N -1.75 -1.34 -0.33 2.11 4.01 -1.26 -4.80 117.16 113.80 3dcq n TYR 102 Ca 0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.83 3dcq n TYR 102 Cb 0.38 -2.42 0.08 0.00 -0.31 0.00 0.00 39.34 37.07 3dcq n TYR 102 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3dcq n ASN 103 N -1.47 2.39 -0.30 7.72 6.94 -1.17 -1.70 115.26 127.67 3dcq n ASN 103 Ca -0.12 -2.31 0.00 0.00 -0.02 0.00 0.00 54.58 52.13 3dcq n ASN 103 Cb 0.55 -0.18 0.13 0.00 -2.36 0.00 0.00 39.78 37.92 3dcq n ASN 103 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3dcq h ASP 104 N 0.51 0.80 -3.39 0.53 3.32 -1.50 -3.17 116.42 113.52 3dcq h ASP 104 Ca 0.00 0.02 -0.37 0.00 0.02 0.00 0.00 57.03 56.70 3dcq h ASP 104 Cb 0.72 -0.15 -0.36 0.00 0.22 0.00 0.00 39.33 39.75 3dcq h ASP 104 CO 0.02 0.52 -0.75 0.00 -1.72 0.00 0.00 179.24 177.31 3dcq s ALA 105 N -6.07 0.33 -0.10 3.45 0.00 -1.25 -1.17 121.76 116.95 3dcq s ALA 105 Ca -0.13 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.00 3dcq s ALA 105 Cb 0.18 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3dcq s ALA 105 CO 0.79 -0.29 -0.20 0.08 0.00 0.00 0.00 175.76 176.13 3dcq s VAL 106 N 1.60 2.46 -0.06 0.00 1.01 0.09 -2.37 120.40 123.14 3dcq s VAL 106 Ca -0.02 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3dcq s VAL 106 Cb -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3dcq s VAL 106 CO -0.03 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.76 3dcq s VAL 107 N 0.16 1.50 -0.10 2.92 1.01 0.14 0.01 120.40 126.04 3dcq s VAL 107 Ca -0.11 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3dcq s VAL 107 Cb -0.16 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.92 3dcq s VAL 107 CO 0.06 0.43 -0.19 -0.69 0.00 0.00 0.00 175.10 174.71 3dcq s VAL 108 N 0.30 1.71 -0.10 2.92 1.01 0.43 -0.25 120.40 126.42 3dcq s VAL 108 Ca -0.11 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3dcq s VAL 108 Cb -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3dcq s VAL 108 CO 0.04 0.48 -0.14 -0.63 0.00 0.00 0.00 175.10 174.86 3dcq s ILE 109 N 0.61 3.05 0.02 2.22 1.01 0.91 -0.79 121.20 128.23 3dcq s ILE 109 Ca -0.14 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.84 3dcq s ILE 109 Cb -0.17 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3dcq s ILE 109 CO 0.04 0.55 -0.05 0.54 0.00 0.00 0.00 174.94 176.02 3dcq s ASN 110 N 0.01 0.55 0.11 3.58 4.22 -0.20 -0.06 114.94 123.15 3dcq s ASN 110 Ca -0.04 -0.38 -0.25 0.00 -2.14 0.00 0.00 52.86 50.05 3dcq s ASN 110 Cb -0.14 0.03 0.08 0.00 1.28 0.00 0.00 41.25 42.49 3dcq s ASN 110 CO 0.04 -0.15 0.71 -1.66 -2.04 0.00 0.00 177.10 174.00 3dcq s TRP 111 N -0.98 -0.45 0.81 1.54 -2.14 -0.71 -0.56 118.94 116.44 3dcq s TRP 111 Ca -0.08 0.25 -0.12 0.00 2.66 0.00 0.00 56.10 58.81 3dcq s TRP 111 Cb -0.07 0.56 0.08 0.00 -3.10 0.00 0.00 33.47 30.94 3dcq s TRP 111 CO -0.00 -0.77 1.11 -1.25 -2.66 0.00 0.00 176.95 173.37 3dcq s PRO 112 N -3.54 2.01 0.22 3.25 0.04 -1.26 -0.34 135.00 135.37 3dcq s PRO 112 Ca 0.03 0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.64 3dcq s PRO 112 Cb -0.01 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.63 3dcq s PRO 112 CO -0.10 -1.66 0.17 1.28 0.04 0.00 0.00 177.00 176.73 3dcq n LEU 113 N -3.44 0.00 0.00 -3.56 4.77 -1.26 -4.98 117.00 108.53 3dcq n LEU 113 Ca 0.07 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3dcq n LEU 113 Cb 0.57 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3dcq n LEU 113 CO 0.57 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.84