#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n47 s GLU 2 N 0.00 0.66 -0.04 -2.82 2.02 -0.98 -5.02 118.70 112.53 1n47 s GLU 2 Ca 0.00 0.12 -0.19 0.00 0.02 0.00 0.00 54.97 54.92 1n47 s GLU 2 Cb 0.00 0.30 0.04 0.00 0.10 0.00 0.00 34.13 34.57 1n47 s GLU 2 CO 0.00 -0.16 0.41 -1.12 0.02 0.00 0.00 175.26 174.41 1n47 s SER 3 N -0.81 -0.33 -0.05 -0.19 0.01 -1.26 -0.98 113.70 110.08 1n47 s SER 3 Ca -0.09 0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.47 1n47 s SER 3 Cb -0.04 0.43 0.04 0.00 0.21 0.00 0.00 66.02 66.66 1n47 s SER 3 CO 0.04 -0.46 0.09 -0.89 0.41 0.00 0.00 173.24 172.43 1n47 s THR 4 N -1.14 -0.14 0.13 1.44 2.01 -0.95 -4.99 115.64 112.01 1n47 s THR 4 Ca -0.12 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.27 1n47 s THR 4 Cb -0.04 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 1n47 s THR 4 CO 0.05 0.15 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.09 1n47 s SER 5 N 1.91 1.65 -0.08 3.53 1.04 -1.26 -1.81 113.70 118.67 1n47 s SER 5 Ca 0.01 -0.99 -0.30 0.00 0.48 0.00 0.00 55.95 55.15 1n47 s SER 5 Cb -0.12 0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.12 1n47 s SER 5 CO -0.04 -0.35 0.89 0.72 0.98 0.00 0.00 173.24 175.44 1n47 s PHE 6 N -3.29 -0.42 -0.11 5.02 -0.71 -0.67 -5.00 117.98 112.80 1n47 s PHE 6 Ca 0.15 0.59 -0.19 0.00 -1.04 0.00 0.00 56.93 56.44 1n47 s PHE 6 Cb 0.03 0.47 0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1n47 s PHE 6 CO -0.00 -0.47 0.47 -1.54 -1.34 0.00 0.00 175.22 172.34 1n47 s SER 7 N -1.59 -0.44 -0.11 1.98 1.04 -1.26 -0.64 113.70 112.68 1n47 s SER 7 Ca -0.01 0.66 0.01 0.00 0.48 0.00 0.00 55.95 57.09 1n47 s SER 7 Cb -0.01 0.71 0.02 0.00 0.10 0.00 0.00 66.02 66.84 1n47 s SER 7 CO -0.01 -0.34 -0.12 -0.36 0.98 0.00 0.00 173.24 173.39 1n47 s PHE 8 N -0.49 1.77 -0.15 5.02 0.08 0.20 -4.97 117.98 119.43 1n47 s PHE 8 Ca -0.06 -0.85 0.21 0.00 0.12 0.00 0.00 56.93 56.35 1n47 s PHE 8 Cb -0.03 -1.33 -0.14 0.00 -0.57 0.00 0.00 43.02 40.95 1n47 s PHE 8 CO 0.04 -0.48 0.78 2.41 -0.10 0.00 0.00 175.22 177.86 1n47 n THR 9 N 4.43 0.63 -3.51 0.64 -1.04 -1.26 -1.05 114.28 113.11 1n47 n THR 9 Ca -0.18 -0.59 -0.11 0.00 -2.04 0.00 0.00 64.05 61.13 1n47 n THR 9 Cb 0.51 -0.35 -0.04 0.00 -1.82 0.00 0.00 70.33 68.64 1n47 n THR 9 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1n47 s ASN 10 N -5.24 -0.46 0.35 8.00 4.22 -1.26 -4.71 114.94 115.84 1n47 s ASN 10 Ca -0.04 0.24 0.07 0.00 -2.14 0.00 0.00 52.86 51.00 1n47 s ASN 10 Cb 0.10 0.43 -0.01 0.00 1.28 0.00 0.00 41.25 43.05 1n47 s ASN 10 CO 0.83 -0.61 0.41 -0.36 -2.04 0.00 0.00 177.10 175.33 1n47 s PHE 11 N -2.34 2.97 0.15 1.54 0.08 -0.26 -5.06 117.98 115.06 1n47 s PHE 11 Ca -0.01 -0.29 0.09 0.00 0.12 0.00 0.00 56.93 56.85 1n47 s PHE 11 Cb -0.01 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1n47 s PHE 11 CO -0.03 0.00 -0.15 -0.80 -0.10 0.00 0.00 175.22 174.14 1n47 s ASN 12 N -4.13 3.98 0.65 1.36 0.01 -1.26 -4.34 114.94 111.21 1n47 s ASN 12 Ca 0.45 -0.60 0.41 0.00 -0.71 0.00 0.00 52.86 52.41 1n47 s ASN 12 Cb -0.08 -0.58 2.25 0.00 0.41 0.00 0.00 41.25 43.25 1n47 s ASN 12 CO 0.29 0.14 2.32 -0.65 -1.51 0.00 0.00 177.10 177.70 1n47 h PRO 13 N 3.36 0.00 -1.13 -0.60 0.11 -1.82 -2.66 132.00 129.26 1n47 h PRO 13 Ca -0.48 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 1n47 h PRO 13 Cb 1.19 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.88 1n47 h PRO 13 CO 0.49 0.00 -0.63 0.27 -0.21 0.00 0.00 178.00 177.93 1n47 n ASN 14 N -3.26 5.07 -4.58 -2.05 6.94 -1.26 -4.88 115.26 111.25 1n47 n ASN 14 Ca -0.03 -3.74 -0.17 0.00 -0.02 0.00 0.00 54.58 50.62 1n47 n ASN 14 Cb 0.09 -0.45 -0.10 0.00 -2.36 0.00 0.00 39.78 36.96 1n47 n ASN 14 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1n47 s GLN 15 N -3.60 1.45 0.64 -3.83 2.00 -1.00 -4.76 119.66 110.56 1n47 s GLN 15 Ca 0.50 -0.52 0.43 0.00 -2.00 0.00 0.00 55.36 53.77 1n47 s GLN 15 Cb 0.41 -5.02 2.35 0.00 0.80 0.00 0.00 33.01 31.55 1n47 s GLN 15 CO -0.08 -5.16 2.32 -0.91 -0.50 0.00 0.00 175.29 170.96 1n47 h ASN 16 N 11.32 0.00 -0.51 6.67 -0.26 -1.94 0.01 115.58 130.88 1n47 h ASN 16 Ca 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1n47 h ASN 16 Cb 0.99 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1n47 h ASN 16 CO 1.05 0.00 0.00 -0.46 -1.06 0.00 0.00 177.43 176.96 1n47 n ASN 17 N -3.02 3.02 -4.41 5.81 6.94 -1.26 -4.82 115.26 117.52 1n47 n ASN 17 Ca -0.03 -2.10 -0.31 0.00 -0.02 0.00 0.00 54.58 52.13 1n47 n ASN 17 Cb 0.07 -0.39 -0.14 0.00 -2.36 0.00 0.00 39.78 36.96 1n47 n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1n47 s LEU 18 N -1.14 2.45 -0.35 -4.53 1.43 -0.01 -2.07 118.68 114.46 1n47 s LEU 18 Ca 0.35 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 1n47 s LEU 18 Cb 0.20 -1.44 0.01 0.00 0.03 0.00 0.00 46.19 44.99 1n47 s LEU 18 CO 0.22 0.27 0.19 -0.63 0.23 0.00 0.00 176.35 176.63 1n47 s ILE 19 N -0.84 4.59 -0.20 -0.59 1.01 0.13 -4.89 121.20 120.40 1n47 s ILE 19 Ca 0.13 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 1n47 s ILE 19 Cb -0.10 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 1n47 s ILE 19 CO 0.03 -0.12 0.11 -0.76 0.00 0.00 0.00 174.94 174.21 1n47 s LEU 20 N 1.58 4.07 0.11 2.97 1.02 -1.26 -0.98 118.68 126.19 1n47 s LEU 20 Ca 0.03 0.16 0.11 0.00 0.02 0.00 0.00 54.13 54.45 1n47 s LEU 20 Cb -0.18 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 1n47 s LEU 20 CO 0.06 0.16 -0.27 -1.10 0.02 0.00 0.00 176.35 175.22 1n47 s GLN 21 N 0.49 1.48 5.12 1.70 -0.21 -0.65 -4.98 119.66 122.62 1n47 s GLN 21 Ca 0.06 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.14 1n47 s GLN 21 Cb -0.12 -1.92 0.00 0.00 1.00 0.00 0.00 33.01 31.97 1n47 s GLN 21 CO -0.00 0.46 0.00 0.39 -2.12 0.00 0.00 175.29 174.02 1n47 n GLU 22 N 1.08 0.00 0.00 2.91 -0.58 -1.26 -2.53 120.64 120.26 1n47 n GLU 22 Ca -0.18 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.69 1n47 n GLU 22 Cb 0.53 0.00 0.37 0.00 -0.57 0.00 0.00 31.44 31.77 1n47 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1n47 n ASP 23 N 6.49 0.88 -4.60 1.62 10.43 0.08 -4.95 116.55 126.50 1n47 n ASP 23 Ca 0.00 -0.73 -0.39 0.00 2.57 0.00 0.00 54.79 56.24 1n47 n ASP 23 Cb 0.00 0.13 0.04 0.00 1.84 0.00 0.00 41.12 43.13 1n47 n ASP 23 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1n47 n ALA 24 N -0.84 0.05 -3.55 2.24 0.00 -1.05 -4.67 120.51 112.69 1n47 n ALA 24 Ca 0.11 0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.56 1n47 n ALA 24 Cb 0.34 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 1n47 n ALA 24 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1n47 s LEU 25 N -1.18 -0.27 -0.16 0.00 0.20 -0.81 -4.79 118.68 111.67 1n47 s LEU 25 Ca 0.70 0.07 -0.05 0.00 0.69 0.00 0.00 54.13 55.55 1n47 s LEU 25 Cb -0.47 1.73 -0.03 0.00 -0.43 0.00 0.00 46.19 46.99 1n47 s LEU 25 CO 0.51 -0.41 0.00 -0.69 -0.29 0.00 0.00 176.35 175.48 1n47 s VAL 26 N -2.43 4.26 1.20 1.68 1.01 -1.26 0.42 120.40 125.27 1n47 s VAL 26 Ca 0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1n47 s VAL 26 Cb -0.01 -2.88 0.23 0.00 0.00 0.00 0.00 36.38 33.72 1n47 s VAL 26 CO -0.06 0.50 0.54 0.59 0.00 0.00 0.00 175.10 176.67 1n47 n ASN 27 N 3.36 -2.51 -0.35 3.32 4.13 0.85 -4.64 115.26 119.42 1n47 n ASN 27 Ca -0.17 -0.30 0.08 0.00 1.68 0.00 0.00 54.58 55.87 1n47 n ASN 27 Cb 0.52 -1.05 0.34 0.00 -1.54 0.00 0.00 39.78 38.06 1n47 n ASN 27 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1n47 n SER 28 N -3.52 1.04 -0.20 6.41 3.41 -1.26 -3.24 113.62 116.26 1n47 n SER 28 Ca 0.03 -1.71 0.05 0.00 -0.26 0.00 0.00 58.87 56.98 1n47 n SER 28 Cb 0.56 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 1n47 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n47 n ALA 29 N -0.05 2.93 -0.01 7.33 0.00 -1.26 -4.99 120.51 124.45 1n47 n ALA 29 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1n47 n ALA 29 Cb 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1n47 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n47 n GLY 30 N 0.97 0.28 3.79 0.00 0.00 -1.20 -4.98 105.19 104.05 1n47 n GLY 30 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1n47 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n47 s THR 31 N -2.05 4.37 -0.39 2.61 2.01 -1.26 -1.10 115.64 119.83 1n47 s THR 31 Ca 0.00 1.64 -0.18 0.00 0.31 0.00 0.00 61.69 63.46 1n47 s THR 31 Cb 0.00 -4.06 0.01 0.00 0.01 0.00 0.00 72.50 68.46 1n47 s THR 31 CO 0.00 0.38 0.50 -0.22 -0.69 0.00 0.00 174.62 174.58 1n47 s LEU 32 N -1.52 4.56 -0.58 4.42 2.96 -0.63 -0.11 118.68 127.78 1n47 s LEU 32 Ca 0.40 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.78 1n47 s LEU 32 Cb -0.21 -2.52 0.07 0.00 0.50 0.00 0.00 46.19 44.04 1n47 s LEU 32 CO 0.25 -0.56 0.78 -1.61 -1.32 0.00 0.00 176.35 173.89 1n47 s GLU 33 N 2.35 3.12 0.11 1.98 2.02 0.17 -0.76 118.70 127.68 1n47 s GLU 33 Ca 0.16 -0.94 -0.14 0.00 0.02 0.00 0.00 54.97 54.07 1n47 s GLU 33 Cb -0.16 -4.18 -0.06 0.00 0.10 0.00 0.00 34.13 29.83 1n47 s GLU 33 CO 0.14 -1.52 1.48 -0.07 0.02 0.00 0.00 175.26 175.31 1n47 h LEU 34 N 10.38 0.75 -9.47 1.80 3.38 -1.55 -2.14 115.31 118.46 1n47 h LEU 34 Ca -0.28 -0.41 -0.60 0.00 0.09 0.00 0.00 57.88 56.67 1n47 h LEU 34 Cb 1.08 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 1n47 h LEU 34 CO 1.08 1.00 -0.67 0.42 0.09 0.00 0.00 178.44 180.36 1n47 s THR 35 N -4.59 3.60 0.34 0.22 -4.23 -1.26 -3.40 115.64 106.32 1n47 s THR 35 Ca -0.12 -1.50 -0.29 0.00 -1.18 0.00 0.00 61.69 58.60 1n47 s THR 35 Cb 0.09 -2.81 -0.10 0.00 1.34 0.00 0.00 72.50 71.02 1n47 s THR 35 CO 0.82 -0.13 1.35 0.00 -0.54 0.00 0.00 174.62 176.13 1n47 s ALA 36 N -1.76 3.52 -0.16 3.99 0.00 -1.26 -4.77 121.76 121.32 1n47 s ALA 36 Ca 0.27 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.56 1n47 s ALA 36 Cb -0.09 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.56 1n47 s ALA 36 CO 0.18 -0.74 -0.03 0.08 0.00 0.00 0.00 175.76 175.25 1n47 s VAL 37 N -1.06 0.95 0.00 0.00 1.01 -1.26 -2.69 120.40 117.34 1n47 s VAL 37 Ca 0.50 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1n47 s VAL 37 Cb -0.41 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1n47 s VAL 37 CO 0.55 0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.75 1n47 n ALA 38 N 4.93 0.00 0.04 5.51 0.00 -0.96 -4.76 120.51 125.28 1n47 n ALA 38 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 1n47 n ALA 38 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 1n47 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n47 h ALA 39 N -2.00 -0.58 0.00 0.00 0.00 -1.98 -3.40 119.26 111.30 1n47 h ALA 39 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n47 h ALA 39 Cb 0.00 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1n47 h ALA 39 CO 0.00 -0.91 0.00 0.41 0.00 0.00 0.00 179.25 178.75 1n47 n GLY 40 N -1.44 0.00 3.49 0.00 0.00 -1.26 -5.13 105.19 100.85 1n47 n GLY 40 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1n47 n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n47 s ALA 41 N 0.00 2.69 0.66 4.61 0.00 -1.26 -5.05 121.76 123.40 1n47 s ALA 41 Ca 0.00 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 1n47 s ALA 41 Cb 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1n47 s ALA 41 CO 0.00 0.56 1.24 -2.30 0.00 0.00 0.00 175.76 175.26 1n47 n PRO 42 N 2.16 1.00 -4.31 0.00 -0.02 -1.26 -2.26 135.00 130.32 1n47 n PRO 42 Ca -0.17 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1n47 n PRO 42 Cb 0.52 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.42 1n47 n PRO 42 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n47 s VAL 43 N -1.46 3.11 0.66 -1.45 1.01 -1.10 -4.86 120.40 116.31 1n47 s VAL 43 Ca 0.81 -1.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1n47 s VAL 43 Cb -0.38 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 33.62 1n47 s VAL 43 CO 0.42 0.14 0.96 -2.16 0.00 0.00 0.00 175.10 174.45 1n47 s PRO 44 N -2.09 2.40 -1.68 2.72 0.05 -1.26 -4.28 135.00 130.85 1n47 s PRO 44 Ca 0.19 -0.27 0.00 0.00 0.05 0.00 0.00 61.00 60.97 1n47 s PRO 44 Cb -0.11 -2.23 0.00 0.00 0.05 0.00 0.00 34.50 32.21 1n47 s PRO 44 CO 0.11 -1.05 0.00 -0.25 0.05 0.00 0.00 177.00 175.86 1n47 n ASP 45 N -2.77 -5.00 -4.86 6.66 8.00 -0.94 -5.00 116.55 112.65 1n47 n ASP 45 Ca 0.07 0.39 -0.34 0.00 0.71 0.00 0.00 54.79 55.62 1n47 n ASP 45 Cb 0.60 -3.90 -0.06 0.00 -0.02 0.00 0.00 41.12 37.74 1n47 n ASP 45 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1n47 s SER 46 N -2.80 6.72 -0.05 -2.24 0.15 -1.26 -4.94 113.70 109.28 1n47 s SER 46 Ca 0.00 0.95 -0.04 0.00 0.70 0.00 0.00 55.95 57.56 1n47 s SER 46 Cb 0.00 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1n47 s SER 46 CO 0.00 0.08 0.13 -0.22 1.20 0.00 0.00 173.24 174.43 1n47 s LEU 47 N -2.16 1.28 -0.19 3.45 0.20 -1.26 -2.39 118.68 117.60 1n47 s LEU 47 Ca 0.39 0.27 -0.22 0.00 0.69 0.00 0.00 54.13 55.26 1n47 s LEU 47 Cb -0.14 0.42 0.06 0.00 -0.43 0.00 0.00 46.19 46.10 1n47 s LEU 47 CO 0.19 -0.08 0.60 -0.83 -0.29 0.00 0.00 176.35 175.95 1n47 s GLY 48 N 0.39 -0.45 0.03 7.98 0.00 -0.98 -0.74 107.32 113.54 1n47 s GLY 48 Ca -0.03 1.57 0.01 0.00 0.00 0.00 0.00 44.72 46.27 1n47 s GLY 48 CO -0.02 1.31 -0.05 0.50 0.00 0.00 0.00 173.10 174.85 1n47 s ARG 49 N -0.00 0.41 -0.06 2.90 0.52 -1.10 -2.05 118.95 119.58 1n47 s ARG 49 Ca -0.02 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 1n47 s ARG 49 Cb -0.04 -0.06 0.02 0.00 0.52 0.00 0.00 34.95 35.39 1n47 s ARG 49 CO 0.02 -0.01 -0.07 0.00 0.02 0.00 0.00 175.30 175.27 1n47 s ALA 50 N -1.49 0.87 0.10 2.13 0.00 -0.38 -1.63 121.76 121.36 1n47 s ALA 50 Ca -0.13 -0.18 0.08 0.00 0.00 0.00 0.00 51.96 51.73 1n47 s ALA 50 Cb -0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1n47 s ALA 50 CO -0.01 -0.02 -0.21 -0.51 0.00 0.00 0.00 175.76 175.01 1n47 s LEU 51 N 0.94 2.28 0.20 0.00 1.43 -0.15 -1.15 118.68 122.24 1n47 s LEU 51 Ca -0.10 -0.67 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 1n47 s LEU 51 Cb -0.15 -0.92 -0.08 0.00 0.03 0.00 0.00 46.19 45.08 1n47 s LEU 51 CO 0.00 0.08 1.03 -0.47 0.23 0.00 0.00 176.35 177.22 1n47 s TYR 52 N -1.10 3.74 0.20 0.29 5.04 -0.41 -0.69 117.35 124.41 1n47 s TYR 52 Ca 0.07 1.74 -0.10 0.00 -2.44 0.00 0.00 57.07 56.34 1n47 s TYR 52 Cb -0.10 -3.16 0.25 0.00 0.35 0.00 0.00 41.96 39.31 1n47 s TYR 52 CO 0.04 -0.15 1.74 0.00 -1.34 0.00 0.00 175.55 175.83 1n47 h ALA 53 N 4.71 0.73 -2.72 3.97 0.00 -1.76 -3.42 119.26 120.76 1n47 h ALA 53 Ca -0.45 0.09 -0.57 0.00 0.00 0.00 0.00 54.91 53.98 1n47 h ALA 53 Cb 1.21 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1n47 h ALA 53 CO 0.70 -0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.70 1n47 s ALA 54 N -6.10 3.54 0.64 0.00 0.00 -1.26 -5.05 121.76 113.53 1n47 s ALA 54 Ca -0.13 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 1n47 s ALA 54 Cb 0.17 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 1n47 s ALA 54 CO 0.74 0.29 1.15 -2.14 0.00 0.00 0.00 175.76 175.80 1n47 s PRO 55 N -0.69 2.79 -0.04 0.00 0.02 -1.26 -4.82 135.00 131.00 1n47 s PRO 55 Ca 0.30 1.56 0.04 0.00 0.02 0.00 0.00 61.00 62.92 1n47 s PRO 55 Cb -0.19 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 1n47 s PRO 55 CO 0.18 -1.29 -0.15 0.96 -0.33 0.00 0.00 177.00 176.37 1n47 s ILE 56 N -2.06 2.99 -0.59 2.83 -5.25 -0.24 -4.92 121.20 113.96 1n47 s ILE 56 Ca 0.71 -0.78 -0.28 0.00 -0.99 0.00 0.00 60.65 59.31 1n47 s ILE 56 Cb -0.24 -2.17 0.03 0.00 2.95 0.00 0.00 42.46 43.03 1n47 s ILE 56 CO 0.38 0.57 1.22 -2.28 -1.79 0.00 0.00 174.94 173.05 1n47 s HIS 57 N -0.74 2.56 -0.36 1.37 5.65 -1.26 -2.35 115.29 120.16 1n47 s HIS 57 Ca 0.12 0.40 0.22 0.00 0.25 0.00 0.00 55.06 56.05 1n47 s HIS 57 Cb -0.11 -4.51 -0.12 0.00 -1.18 0.00 0.00 32.58 26.66 1n47 s HIS 57 CO 0.01 -1.65 0.83 1.51 -0.65 0.00 0.00 174.74 174.78 1n47 n ILE 58 N 6.68 0.19 -3.59 0.89 0.00 0.51 -4.80 119.36 119.23 1n47 n ILE 58 Ca 0.09 -0.38 -0.07 0.00 0.00 0.00 0.00 62.75 62.39 1n47 n ILE 58 Cb 0.49 0.08 -0.02 0.00 0.00 0.00 0.00 39.64 40.19 1n47 n ILE 58 CO 0.00 0.00 0.00 -1.38 0.00 0.00 0.00 176.55 175.17 1n47 s HIS 59 N -3.33 -0.29 -0.27 9.51 -3.43 -1.20 -1.99 115.29 114.30 1n47 s HIS 59 Ca -0.01 0.07 0.15 0.00 -0.80 0.00 0.00 55.06 54.47 1n47 s HIS 59 Cb 0.13 0.58 0.48 0.00 -1.43 0.00 0.00 32.58 32.35 1n47 s HIS 59 CO 0.84 -0.70 1.15 -0.40 -2.00 0.00 0.00 174.74 173.64 1n47 n ASP 60 N -0.34 3.19 0.00 7.38 5.75 -0.67 -4.52 116.55 127.33 1n47 n ASP 60 Ca -0.09 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 51.78 1n47 n ASP 60 Cb 0.62 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1n47 n ASP 60 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1n47 n ASN 61 N -0.64 0.00 -0.00 -1.12 3.02 -1.26 -4.31 115.26 110.95 1n47 n ASN 61 Ca 0.25 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.91 1n47 n ASN 61 Cb 0.89 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.94 1n47 n ASN 61 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1n47 n THR 62 N 0.00 0.02 -4.04 3.41 -2.24 -1.26 -4.97 114.28 105.21 1n47 n THR 62 Ca 0.00 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 1n47 n THR 62 Cb 0.00 0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 68.58 1n47 n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n47 s THR 63 N -3.25 0.37 0.14 4.28 2.01 -1.26 -5.15 115.64 112.78 1n47 s THR 63 Ca 0.01 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.19 1n47 s THR 63 Cb 0.15 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1n47 s THR 63 CO 0.88 -0.34 0.05 -0.76 -0.69 0.00 0.00 174.62 173.76 1n47 s LEU 64 N -1.29 3.55 0.34 4.42 1.43 -1.26 -1.67 118.68 124.21 1n47 s LEU 64 Ca -0.10 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1n47 s LEU 64 Cb -0.09 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 1n47 s LEU 64 CO -0.00 0.12 0.55 0.00 0.23 0.00 0.00 176.35 177.24 1n47 s ALA 65 N -1.58 3.69 0.11 4.21 0.00 -0.84 -4.60 121.76 122.75 1n47 s ALA 65 Ca 0.28 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1n47 s ALA 65 Cb -0.10 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1n47 s ALA 65 CO 0.20 -0.00 0.18 -1.12 0.00 0.00 0.00 175.76 175.02 1n47 s SER 66 N -3.98 5.96 0.05 0.00 0.01 -0.44 -4.33 113.70 110.98 1n47 s SER 66 Ca 0.40 0.09 -0.15 0.00 1.31 0.00 0.00 55.95 57.59 1n47 s SER 66 Cb -0.10 -1.71 0.03 0.00 0.21 0.00 0.00 66.02 64.45 1n47 s SER 66 CO 0.36 0.12 0.35 0.72 0.41 0.00 0.00 173.24 175.20 1n47 s PHE 67 N -1.59 -0.17 -0.01 2.43 -0.12 -0.76 -1.78 117.98 115.99 1n47 s PHE 67 Ca 0.33 0.04 0.01 0.00 -0.05 0.00 0.00 56.93 57.26 1n47 s PHE 67 Cb -0.12 0.15 -0.00 0.00 -0.63 0.00 0.00 43.02 42.43 1n47 s PHE 67 CO 0.26 -0.55 -0.04 0.99 -0.05 0.00 0.00 175.22 175.82 1n47 s THR 68 N -2.68 0.34 -0.07 -4.49 2.01 -0.25 -0.82 115.64 109.67 1n47 s THR 68 Ca -0.04 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 1n47 s THR 68 Cb -0.00 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.23 1n47 s THR 68 CO -0.04 0.10 0.20 0.28 -0.69 0.00 0.00 174.62 174.48 1n47 s THR 69 N -0.03 0.01 -0.03 -0.82 -1.32 -0.70 -1.08 115.64 111.66 1n47 s THR 69 Ca 0.01 -0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 1n47 s THR 69 Cb -0.03 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 1n47 s THR 69 CO -0.00 -0.05 -0.11 -0.44 -2.21 0.00 0.00 174.62 171.81 1n47 s SER 70 N -0.08 1.46 0.21 8.08 0.01 -0.59 -1.40 113.70 121.37 1n47 s SER 70 Ca -0.02 -0.23 -0.06 0.00 1.31 0.00 0.00 55.95 56.95 1n47 s SER 70 Cb -0.02 -0.42 -0.02 0.00 0.21 0.00 0.00 66.02 65.76 1n47 s SER 70 CO 0.01 0.08 0.26 0.72 0.41 0.00 0.00 173.24 174.72 1n47 s PHE 71 N 0.21 0.77 -0.02 2.43 -0.12 -0.77 -0.97 117.98 119.50 1n47 s PHE 71 Ca -0.04 -1.06 0.01 0.00 -0.05 0.00 0.00 56.93 55.78 1n47 s PHE 71 Cb -0.10 -0.23 0.02 0.00 -0.63 0.00 0.00 43.02 42.08 1n47 s PHE 71 CO 0.01 -0.76 -0.01 -1.12 -0.05 0.00 0.00 175.22 173.29 1n47 s SER 72 N -3.08 0.40 0.35 1.98 0.01 -1.11 0.00 113.70 112.25 1n47 s SER 72 Ca 0.29 -0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.56 1n47 s SER 72 Cb 0.04 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 1n47 s SER 72 CO 0.09 -0.07 0.08 0.72 0.41 0.00 0.00 173.24 174.47 1n47 s PHE 73 N 0.75 1.87 -0.08 2.43 -0.12 -0.66 -0.22 117.98 121.95 1n47 s PHE 73 Ca -0.08 -1.08 -0.06 0.00 -0.05 0.00 0.00 56.93 55.66 1n47 s PHE 73 Cb -0.11 -1.23 0.03 0.00 -0.63 0.00 0.00 43.02 41.08 1n47 s PHE 73 CO -0.01 -0.11 0.21 0.08 -0.05 0.00 0.00 175.22 175.34 1n47 s VAL 74 N -3.29 -0.01 -0.12 -2.49 1.01 -0.54 -0.65 120.40 114.31 1n47 s VAL 74 Ca 0.31 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1n47 s VAL 74 Cb 0.06 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.15 1n47 s VAL 74 CO 0.15 0.02 -0.20 -0.04 0.00 0.00 0.00 175.10 175.03 1n47 s MET 75 N 0.40 2.68 0.17 2.72 -1.94 -1.26 -1.36 119.30 120.70 1n47 s MET 75 Ca -0.02 -0.74 0.08 0.00 -1.71 0.00 0.00 55.69 53.30 1n47 s MET 75 Cb -0.04 -2.16 -0.04 0.00 2.01 0.00 0.00 34.83 34.60 1n47 s MET 75 CO -0.02 0.01 -0.07 0.00 -0.01 0.00 0.00 175.02 174.94 1n47 s ALA 76 N 0.77 3.03 -0.13 3.03 0.00 -1.26 -1.75 121.76 125.45 1n47 s ALA 76 Ca -0.10 -1.42 -0.06 0.00 0.00 0.00 0.00 51.96 50.38 1n47 s ALA 76 Cb -0.16 -0.83 0.06 0.00 0.00 0.00 0.00 23.12 22.19 1n47 s ALA 76 CO 0.01 0.49 0.30 0.00 0.00 0.00 0.00 175.76 176.56 1n47 s ALA 77 N -1.66 -0.73 0.34 0.00 0.00 -1.26 -0.79 121.76 117.65 1n47 s ALA 77 Ca 0.25 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.40 1n47 s ALA 77 Cb -0.09 -0.84 0.62 0.00 0.00 0.00 0.00 23.12 22.81 1n47 s ALA 77 CO 0.16 -0.35 1.97 -1.00 0.00 0.00 0.00 175.76 176.55 1n47 h PRO 78 N 7.47 0.87 -3.59 0.00 0.13 -1.95 -3.37 132.00 131.55 1n47 h PRO 78 Ca -0.33 -0.05 -0.56 0.00 -0.87 0.00 0.00 66.00 64.19 1n47 h PRO 78 Cb 1.15 -0.20 -0.40 0.00 0.13 0.00 0.00 31.00 31.69 1n47 h PRO 78 CO 0.29 0.57 -0.76 0.00 -0.23 0.00 0.00 178.00 177.87 1n47 s ALA 79 N -5.77 1.37 -1.54 -0.56 0.00 -1.26 -5.02 121.76 108.97 1n47 s ALA 79 Ca -0.10 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.57 1n47 s ALA 79 Cb 0.19 -1.45 0.12 0.00 0.00 0.00 0.00 23.12 21.97 1n47 s ALA 79 CO 0.78 -1.46 0.83 0.00 0.00 0.00 0.00 175.76 175.90 1n47 n ALA 80 N 4.91 1.36 -0.01 0.00 0.00 -1.26 -2.39 120.51 123.12 1n47 n ALA 80 Ca -0.05 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.44 1n47 n ALA 80 Cb 0.44 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.73 1n47 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n47 n ALA 81 N -1.23 2.48 -3.83 0.00 0.00 -1.26 -4.79 120.51 111.88 1n47 n ALA 81 Ca 0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 53.44 52.68 1n47 n ALA 81 Cb 0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.87 1n47 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n47 s ALA 82 N -3.00 3.43 0.04 0.00 0.00 -1.01 -5.08 121.76 116.15 1n47 s ALA 82 Ca -0.06 -3.21 0.00 0.00 0.00 0.00 0.00 51.96 48.69 1n47 s ALA 82 Cb 0.09 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1n47 s ALA 82 CO 0.64 -2.04 -0.04 0.14 0.00 0.00 0.00 175.76 174.46 1n47 s VAL 83 N -0.07 0.30 -0.15 0.00 -7.23 -1.26 -2.67 120.40 109.32 1n47 s VAL 83 Ca 0.16 -1.39 -0.34 0.00 -1.81 0.00 0.00 61.98 58.61 1n47 s VAL 83 Cb -0.22 -0.95 0.13 0.00 0.56 0.00 0.00 36.38 35.90 1n47 s VAL 83 CO -0.02 -0.71 1.14 0.00 -0.31 0.00 0.00 175.10 175.20 1n47 s ALA 84 N -2.60 -2.02 -0.05 1.32 0.00 -1.25 -4.45 121.76 112.71 1n47 s ALA 84 Ca -0.03 1.48 0.04 0.00 0.00 0.00 0.00 51.96 53.45 1n47 s ALA 84 Cb -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 1n47 s ALA 84 CO -0.04 -0.61 0.12 -0.25 0.00 0.00 0.00 175.76 174.97 1n47 n ASP 85 N -0.11 3.08 0.00 0.00 8.00 -0.56 -3.37 116.55 123.59 1n47 n ASP 85 Ca -0.02 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1n47 n ASP 85 Cb 0.59 1.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.84 1n47 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n47 n GLY 86 N 1.97 1.45 3.20 0.44 0.00 -1.21 -2.22 105.19 108.82 1n47 n GLY 86 Ca -0.00 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 1n47 n GLY 86 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n47 s LEU 87 N 0.00 2.33 -0.00 0.99 0.05 -0.90 -2.98 118.68 118.17 1n47 s LEU 87 Ca 0.00 -1.08 -0.06 0.00 0.05 0.00 0.00 54.13 53.04 1n47 s LEU 87 Cb 0.00 -0.06 0.00 0.00 -2.05 0.00 0.00 46.19 44.08 1n47 s LEU 87 CO 0.00 -0.51 0.12 0.00 -0.55 0.00 0.00 176.35 175.41 1n47 s ALA 88 N -3.65 -0.27 -0.11 1.48 0.00 0.07 -0.83 121.76 118.45 1n47 s ALA 88 Ca 0.17 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 1n47 s ALA 88 Cb 0.06 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1n47 s ALA 88 CO -0.01 -0.19 0.11 0.12 0.00 0.00 0.00 175.76 175.80 1n47 s PHE 89 N -1.23 3.51 0.18 0.00 5.36 -0.40 -1.91 117.98 123.49 1n47 s PHE 89 Ca -0.13 0.46 -0.05 0.00 -0.96 0.00 0.00 56.93 56.25 1n47 s PHE 89 Cb -0.07 -1.91 -0.03 0.00 -0.34 0.00 0.00 43.02 40.67 1n47 s PHE 89 CO 0.01 0.69 0.21 -0.59 -1.46 0.00 0.00 175.22 174.07 1n47 s PHE 90 N -1.01 0.77 -0.02 10.12 -0.71 0.01 -1.25 117.98 125.90 1n47 s PHE 90 Ca 0.15 -1.09 0.06 0.00 -1.04 0.00 0.00 56.93 55.01 1n47 s PHE 90 Cb -0.12 -0.30 -0.01 0.00 -1.21 0.00 0.00 43.02 41.38 1n47 s PHE 90 CO 0.04 -0.69 -0.18 -0.51 -1.34 0.00 0.00 175.22 172.54 1n47 s LEU 91 N -3.06 2.03 0.19 -1.99 1.02 0.64 -2.69 118.68 114.82 1n47 s LEU 91 Ca 0.27 -0.33 -0.23 0.00 0.02 0.00 0.00 54.13 53.86 1n47 s LEU 91 Cb 0.05 -0.94 0.06 0.00 0.02 0.00 0.00 46.19 45.38 1n47 s LEU 91 CO 0.06 0.22 0.94 0.00 0.02 0.00 0.00 176.35 177.59 1n47 s ALA 92 N -0.40 -1.53 0.66 4.21 0.00 -1.07 -1.42 121.76 122.22 1n47 s ALA 92 Ca 0.06 -0.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.77 1n47 s ALA 92 Cb -0.07 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 1n47 s ALA 92 CO -0.01 -1.04 1.28 -2.14 0.00 0.00 0.00 175.76 173.85 1n47 s PRO 93 N -3.05 2.48 0.58 0.00 0.02 -1.26 -0.48 135.00 133.28 1n47 s PRO 93 Ca 0.14 2.00 0.28 0.00 0.02 0.00 0.00 61.00 63.45 1n47 s PRO 93 Cb -0.02 -1.84 1.51 0.00 0.02 0.00 0.00 34.50 34.16 1n47 s PRO 93 CO 0.04 -1.64 1.97 -1.35 -0.33 0.00 0.00 177.00 175.69 1n47 h PRO 94 N 0.40 0.00 -0.64 5.54 0.11 -1.86 -1.03 132.00 134.52 1n47 h PRO 94 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n47 h PRO 94 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1n47 h PRO 94 CO 0.52 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 1n47 n ASP 95 N -3.88 4.72 -4.67 -2.05 5.75 -1.26 -4.87 116.55 110.30 1n47 n ASP 95 Ca 0.07 -2.64 -0.46 0.00 -0.01 0.00 0.00 54.79 51.76 1n47 n ASP 95 Cb 0.58 -0.61 -0.04 0.00 -1.03 0.00 0.00 41.12 40.02 1n47 n ASP 95 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1n47 n THR 96 N 0.70 0.22 -4.42 2.12 5.66 -0.39 -5.02 114.28 113.15 1n47 n THR 96 Ca 0.23 -0.06 -0.27 0.00 -3.05 0.00 0.00 64.05 60.91 1n47 n THR 96 Cb 0.96 -1.51 -0.12 0.00 -1.55 0.00 0.00 70.33 68.11 1n47 n THR 96 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1n47 s GLN 97 N 0.59 1.50 0.35 1.09 -1.52 -1.26 -5.11 119.66 115.30 1n47 s GLN 97 Ca 0.76 -1.51 -0.26 0.00 -1.95 0.00 0.00 55.36 52.40 1n47 s GLN 97 Cb -0.68 -1.80 -0.13 0.00 -0.22 0.00 0.00 33.01 30.18 1n47 s GLN 97 CO 0.41 0.39 0.90 -2.30 -0.25 0.00 0.00 175.29 174.44 1n47 n PRO 98 N 0.28 1.14 0.00 2.91 -0.02 -1.26 -4.96 135.00 133.09 1n47 n PRO 98 Ca -0.13 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1n47 n PRO 98 Cb 0.56 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1n47 n PRO 98 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n47 n GLN 99 N 0.51 3.10 -2.93 -0.52 1.13 -0.92 -5.01 117.38 112.75 1n47 n GLN 99 Ca 0.10 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.83 1n47 n GLN 99 Cb 0.36 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.64 1n47 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n47 s ALA 100 N -2.61 3.18 0.56 -1.58 0.00 -0.57 -4.71 121.76 116.03 1n47 s ALA 100 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1n47 s ALA 100 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1n47 s ALA 100 CO 0.00 0.21 0.00 2.89 0.00 0.00 0.00 175.76 178.86 1n47 n ARG 101 N -0.28 3.21 0.00 0.00 1.85 -1.26 -1.21 116.66 118.97 1n47 n ARG 101 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 1n47 n ARG 101 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 1n47 n ARG 101 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n47 n GLY 102 N 5.00 3.30 0.15 2.89 0.00 -1.26 -1.92 105.19 113.35 1n47 n GLY 102 Ca 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1n47 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n47 n GLY 103 N 0.00 -0.88 0.34 -0.02 0.00 -1.26 -2.20 105.19 101.17 1n47 n GLY 103 Ca 0.00 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1n47 n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n47 n PHE 104 N -2.20 0.00 -1.00 1.61 3.72 -0.81 -4.94 117.46 113.85 1n47 n PHE 104 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1n47 n PHE 104 Cb 0.05 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1n47 n PHE 104 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1n47 n LEU 105 N -0.39 0.98 -0.18 4.37 4.77 -0.93 -1.25 117.00 124.37 1n47 n LEU 105 Ca 0.12 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.08 1n47 n LEU 105 Cb 0.38 -2.46 -0.01 0.00 -2.33 0.00 0.00 43.42 39.00 1n47 n LEU 105 CO 0.25 -0.98 -0.02 0.61 -1.33 0.00 0.00 177.39 175.92 1n47 n GLY 106 N 0.91 0.56 0.01 -0.72 0.00 -0.35 -4.01 105.19 101.60 1n47 n GLY 106 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 46.02 45.14 1n47 n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n47 n LEU 107 N -0.26 0.00 -4.29 0.99 4.77 -0.38 -2.16 117.00 115.67 1n47 n LEU 107 Ca -0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 1n47 n LEU 107 Cb 0.08 0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.12 1n47 n LEU 107 CO 0.03 0.05 -0.21 -0.36 -1.33 0.00 0.00 177.39 175.58 1n47 s PHE 108 N -2.31 1.49 -0.37 -1.77 0.08 -1.21 -4.84 117.98 109.05 1n47 s PHE 108 Ca -0.02 -1.39 0.06 0.00 0.12 0.00 0.00 56.93 55.70 1n47 s PHE 108 Cb 0.03 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 1n47 s PHE 108 CO 0.24 -0.58 0.32 0.00 -0.10 0.00 0.00 175.22 175.10 1n47 n ALA 109 N -0.48 2.77 -3.75 5.36 0.00 -1.26 -1.51 120.51 121.64 1n47 n ALA 109 Ca 0.02 -0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.33 1n47 n ALA 109 Cb 0.65 -0.23 0.01 0.00 0.00 0.00 0.00 19.45 19.89 1n47 n ALA 109 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n47 n ASP 110 N -0.96 -1.20 -0.47 0.00 3.85 -1.26 -4.89 116.55 111.62 1n47 n ASP 110 Ca 0.02 -1.50 0.14 0.00 -0.71 0.00 0.00 54.79 52.73 1n47 n ASP 110 Cb 0.11 1.92 0.47 0.00 -1.35 0.00 0.00 41.12 42.26 1n47 n ASP 110 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 1n47 n ARG 111 N -0.64 1.55 -2.44 0.11 1.85 -1.26 -4.64 116.66 111.19 1n47 n ARG 111 Ca 0.01 -0.94 -0.33 0.00 -1.00 0.00 0.00 57.85 55.59 1n47 n ARG 111 Cb 0.46 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 1n47 n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1n47 s ALA 112 N -2.10 2.87 -0.03 2.89 0.00 -1.26 -4.68 121.76 119.46 1n47 s ALA 112 Ca 0.35 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.56 1n47 s ALA 112 Cb 0.21 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1n47 s ALA 112 CO 0.37 -0.38 0.75 -1.58 0.00 0.00 0.00 175.76 174.91 1n47 s HIS 113 N -2.17 3.63 -0.15 0.00 2.46 -1.26 -4.69 115.29 113.10 1n47 s HIS 113 Ca 0.65 1.35 -0.04 0.00 0.47 0.00 0.00 55.06 57.49 1n47 s HIS 113 Cb -0.15 -2.84 0.07 0.00 -0.13 0.00 0.00 32.58 29.53 1n47 s HIS 113 CO 0.24 0.13 0.15 0.34 -2.47 0.00 0.00 174.74 173.13 1n47 s ASP 114 N 0.60 1.60 0.62 9.88 3.68 -0.84 -5.03 116.67 127.18 1n47 s ASP 114 Ca 0.39 -0.23 0.28 0.00 2.13 0.00 0.00 52.55 55.12 1n47 s ASP 114 Cb -0.19 0.08 1.42 0.00 -1.45 0.00 0.00 42.92 42.79 1n47 s ASP 114 CO 0.20 -0.31 1.83 0.00 0.13 0.00 0.00 175.17 177.02 1n47 h ALA 115 N 8.37 1.98 0.00 3.66 0.00 -1.97 -1.32 119.26 129.98 1n47 h ALA 115 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n47 h ALA 115 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n47 h ALA 115 CO 0.25 -0.68 0.00 -1.13 0.00 0.00 0.00 179.25 177.68 1n47 n SER 116 N -3.39 0.00 0.00 0.00 3.41 -1.26 -2.85 113.62 109.54 1n47 n SER 116 Ca 0.06 0.35 -0.04 0.00 -0.26 0.00 0.00 58.87 58.98 1n47 n SER 116 Cb 0.65 -0.45 0.17 0.00 -0.26 0.00 0.00 64.21 64.33 1n47 n SER 116 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1n47 h TYR 117 N 0.00 0.59 -6.24 7.33 0.05 -1.59 -3.46 116.97 113.65 1n47 h TYR 117 Ca 0.00 -0.13 -0.48 0.00 0.05 0.00 0.00 58.73 58.17 1n47 h TYR 117 Cb 0.39 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 37.92 1n47 h TYR 117 CO 0.00 0.75 -0.75 1.04 -1.05 0.00 0.00 178.16 178.15 1n47 n GLN 118 N -4.10 -4.91 -5.15 4.88 6.02 -1.13 -4.76 117.38 108.23 1n47 n GLN 118 Ca -0.01 0.56 -0.32 0.00 -0.01 0.00 0.00 57.00 57.22 1n47 n GLN 118 Cb 0.43 -5.41 -0.15 0.00 1.02 0.00 0.00 30.24 26.13 1n47 n GLN 118 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1n47 s THR 119 N -3.25 2.36 -0.13 5.09 2.01 -1.26 -4.36 115.64 116.10 1n47 s THR 119 Ca 0.65 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1n47 s THR 119 Cb -0.33 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1n47 s THR 119 CO 0.80 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 174.44 1n47 s VAL 120 N -0.37 1.72 0.06 3.82 1.01 -0.51 -1.57 120.40 124.56 1n47 s VAL 120 Ca 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1n47 s VAL 120 Cb -0.12 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1n47 s VAL 120 CO 0.02 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.50 1n47 s ALA 121 N 1.05 0.83 -0.19 5.51 0.00 -0.18 -0.26 121.76 128.52 1n47 s ALA 121 Ca -0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1n47 s ALA 121 Cb -0.15 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1n47 s ALA 121 CO -0.04 0.04 -0.14 0.08 0.00 0.00 0.00 175.76 175.70 1n47 s VAL 122 N -1.46 2.59 0.08 0.00 1.01 -0.38 0.65 120.40 122.89 1n47 s VAL 122 Ca -0.06 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1n47 s VAL 122 Cb -0.09 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1n47 s VAL 122 CO 0.01 0.50 -0.17 -1.83 0.00 0.00 0.00 175.10 173.60 1n47 s GLU 123 N 1.28 1.96 -0.49 2.72 -1.05 -0.05 -1.28 118.70 121.79 1n47 s GLU 123 Ca 0.04 -1.06 0.01 0.00 -0.15 0.00 0.00 54.97 53.81 1n47 s GLU 123 Cb -0.14 -2.17 0.13 0.00 -0.44 0.00 0.00 34.13 31.51 1n47 s GLU 123 CO -0.08 0.51 0.25 -0.06 0.95 0.00 0.00 175.26 176.84 1n47 s PHE 124 N -1.04 3.42 -0.31 4.83 0.40 -0.01 -1.79 117.98 123.49 1n47 s PHE 124 Ca 0.16 -2.91 -0.14 0.00 -0.60 0.00 0.00 56.93 53.44 1n47 s PHE 124 Cb -0.11 -3.00 -0.03 0.00 0.51 0.00 0.00 43.02 40.40 1n47 s PHE 124 CO 0.08 -0.84 0.30 0.34 0.70 0.00 0.00 175.22 175.80 1n47 s ASP 125 N 0.52 6.13 0.00 1.36 -1.08 -0.62 -2.12 116.67 120.86 1n47 s ASP 125 Ca 0.14 -0.11 0.14 0.00 -0.52 0.00 0.00 52.55 52.20 1n47 s ASP 125 Cb -0.23 -2.17 0.33 0.00 -1.46 0.00 0.00 42.92 39.39 1n47 s ASP 125 CO -0.03 -0.22 1.24 0.35 0.52 0.00 0.00 175.17 177.02 1n47 n THR 126 N 5.15 0.77 -3.75 1.71 -2.24 -0.94 -2.05 114.28 112.92 1n47 n THR 126 Ca -0.11 -0.88 -0.24 0.00 -2.27 0.00 0.00 64.05 60.55 1n47 n THR 126 Cb 0.50 0.68 -0.17 0.00 -2.10 0.00 0.00 70.33 69.24 1n47 n THR 126 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1n47 s TYR 127 N -1.04 0.68 -0.69 4.78 6.14 -1.25 -4.58 117.35 121.39 1n47 s TYR 127 Ca 0.27 -0.29 -0.26 0.00 0.64 0.00 0.00 57.07 57.42 1n47 s TYR 127 Cb 0.15 -0.82 -0.02 0.00 0.42 0.00 0.00 41.96 41.69 1n47 s TYR 127 CO 0.20 -0.39 1.78 -1.12 0.64 0.00 0.00 175.55 176.66 1n47 s SER 128 N 1.97 5.41 0.72 4.32 0.01 -1.26 -4.97 113.70 119.90 1n47 s SER 128 Ca 0.04 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.25 1n47 s SER 128 Cb -0.13 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.65 1n47 s SER 128 CO -0.06 -2.34 1.02 0.20 0.41 0.00 0.00 173.24 172.47 1n47 s ASN 129 N 7.41 4.52 0.20 2.44 0.02 -1.26 -4.90 114.94 123.36 1n47 s ASN 129 Ca 0.63 0.16 0.12 0.00 -1.02 0.00 0.00 52.86 52.75 1n47 s ASN 129 Cb -0.11 -0.69 0.68 0.00 0.02 0.00 0.00 41.25 41.15 1n47 s ASN 129 CO 0.15 -1.76 1.36 0.00 0.02 0.00 0.00 177.10 176.87 1n47 n ALA 130 N -2.94 0.95 0.19 0.60 0.00 -1.26 -0.03 120.51 118.02 1n47 n ALA 130 Ca 0.11 0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.72 1n47 n ALA 130 Cb 0.60 -1.11 0.09 0.00 0.00 0.00 0.00 19.45 19.03 1n47 n ALA 130 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1n47 n TRP 131 N -1.93 0.20 -4.12 0.00 2.14 -1.26 -5.00 117.44 107.47 1n47 n TRP 131 Ca -0.01 -0.21 -0.26 0.00 2.07 0.00 0.00 57.50 59.08 1n47 n TRP 131 Cb 0.07 -0.01 -0.06 0.00 -0.81 0.00 0.00 31.31 30.49 1n47 n TRP 131 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1n47 s ASP 132 N -0.96 5.28 0.66 -0.67 -0.00 0.95 -4.78 116.67 117.16 1n47 s ASP 132 Ca 0.17 -0.21 -0.15 0.00 -0.00 0.00 0.00 52.55 52.37 1n47 s ASP 132 Cb 0.11 -1.31 0.00 0.00 -0.00 0.00 0.00 42.92 41.72 1n47 s ASP 132 CO 0.15 0.08 1.10 -2.16 -0.00 0.00 0.00 175.17 174.34 1n47 s PRO 133 N -3.04 2.82 -0.22 8.23 0.04 -1.26 -4.77 135.00 136.80 1n47 s PRO 133 Ca 0.30 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 1n47 s PRO 133 Cb -0.10 -1.96 -0.23 0.00 0.04 0.00 0.00 34.50 32.25 1n47 s PRO 133 CO 0.22 -1.23 3.51 0.09 0.04 0.00 0.00 177.00 179.63 1n47 n ASN 134 N -2.48 5.74 -3.53 6.66 5.03 -1.26 -4.76 115.26 120.66 1n47 n ASN 134 Ca 0.10 -2.53 -0.13 0.00 0.87 0.00 0.00 54.58 52.90 1n47 n ASN 134 Cb 0.52 -1.43 -0.05 0.00 -1.02 0.00 0.00 39.78 37.81 1n47 n ASN 134 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 1n47 s TYR 135 N 1.01 -0.48 0.41 3.10 -0.85 -1.26 -5.06 117.35 114.22 1n47 s TYR 135 Ca 0.67 0.70 -0.25 0.00 -0.52 0.00 0.00 57.07 57.67 1n47 s TYR 135 Cb 0.31 0.46 -0.10 0.00 0.38 0.00 0.00 41.96 43.00 1n47 s TYR 135 CO -0.02 -0.51 1.12 2.41 -1.52 0.00 0.00 175.55 177.02 1n47 n THR 136 N 0.51 2.47 -3.50 -3.49 -1.04 -1.26 -4.91 114.28 103.07 1n47 n THR 136 Ca -0.14 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.26 1n47 n THR 136 Cb 0.59 -1.31 -0.02 0.00 -1.82 0.00 0.00 70.33 67.76 1n47 n THR 136 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1n47 s HIS 137 N -1.23 -0.45 -0.12 -1.42 -0.00 -0.87 -2.31 115.29 108.89 1n47 s HIS 137 Ca 0.62 0.20 -0.05 0.00 -0.00 0.00 0.00 55.06 55.84 1n47 s HIS 137 Cb -0.55 0.54 -0.04 0.00 -0.00 0.00 0.00 32.58 32.54 1n47 s HIS 137 CO 0.57 -0.88 0.05 0.42 -0.00 0.00 0.00 174.74 174.90 1n47 s ILE 138 N -3.78 4.69 0.01 -5.38 1.01 -0.56 -1.59 121.20 115.60 1n47 s ILE 138 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1n47 s ILE 138 Cb -0.01 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1n47 s ILE 138 CO -0.10 0.57 0.05 -0.83 0.00 0.00 0.00 174.94 174.62 1n47 s GLY 139 N -0.54 0.13 -0.25 6.18 0.00 -0.74 -1.58 107.32 110.51 1n47 s GLY 139 Ca 0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 44.72 44.39 1n47 s GLY 139 CO 0.02 -0.40 0.24 -0.42 0.00 0.00 0.00 173.10 172.54 1n47 s ILE 140 N -1.24 5.29 -0.28 0.90 -1.09 -0.48 -0.87 121.20 123.42 1n47 s ILE 140 Ca -0.13 0.33 -0.06 0.00 -2.23 0.00 0.00 60.65 58.55 1n47 s ILE 140 Cb -0.08 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 1n47 s ILE 140 CO 0.00 0.27 0.06 -1.81 -1.23 0.00 0.00 174.94 172.23 1n47 s ASP 141 N 1.38 5.00 -0.57 3.58 -0.00 0.21 -0.23 116.67 126.04 1n47 s ASP 141 Ca 0.10 -0.70 -0.08 0.00 -0.00 0.00 0.00 52.55 51.88 1n47 s ASP 141 Cb -0.15 -1.85 0.15 0.00 -0.00 0.00 0.00 42.92 41.07 1n47 s ASP 141 CO 0.08 -0.17 0.43 -0.89 -0.00 0.00 0.00 175.17 174.62 1n47 s THR 142 N 1.48 4.23 -0.68 -1.27 2.01 -1.26 -1.01 115.64 119.14 1n47 s THR 142 Ca 0.03 -2.26 -0.02 0.00 0.31 0.00 0.00 61.69 59.74 1n47 s THR 142 Cb -0.17 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1n47 s THR 142 CO 0.01 -0.84 0.32 0.59 -0.69 0.00 0.00 174.62 174.01 1n47 n ASN 143 N 4.32 -3.66 0.00 3.53 3.02 -0.61 -4.93 115.26 116.93 1n47 n ASN 143 Ca 0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1n47 n ASN 143 Cb 0.41 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.08 1n47 n ASN 143 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n47 n GLY 144 N -1.11 1.91 0.18 7.41 0.00 -1.26 -1.99 105.19 110.34 1n47 n GLY 144 Ca -0.04 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.48 1n47 n GLY 144 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n47 h ILE 145 N 1.07 0.00 -3.10 -0.61 6.09 -1.83 -3.40 117.51 115.73 1n47 h ILE 145 Ca 0.00 -0.54 -0.63 0.00 -1.37 0.00 0.00 64.86 62.32 1n47 h ILE 145 Cb 0.00 1.47 -0.14 0.00 0.47 0.00 0.00 36.82 38.62 1n47 h ILE 145 CO 0.00 0.00 0.44 -0.70 -3.07 0.00 0.00 178.15 174.82 1n47 s GLU 146 N -3.32 3.24 0.64 2.19 2.12 -1.26 -5.00 118.70 117.31 1n47 s GLU 146 Ca 0.06 -0.52 -0.17 0.00 0.36 0.00 0.00 54.97 54.69 1n47 s GLU 146 Cb 0.09 -4.10 -0.07 0.00 0.26 0.00 0.00 34.13 30.31 1n47 s GLU 146 CO 0.55 -1.49 0.49 0.43 -0.54 0.00 0.00 175.26 174.69 1n47 n SER 147 N 7.22 -1.25 0.08 -1.70 7.64 -1.26 -4.82 113.62 119.53 1n47 n SER 147 Ca -0.01 0.66 -0.07 0.00 1.01 0.00 0.00 58.87 60.46 1n47 n SER 147 Cb 0.47 -1.18 0.07 0.00 -1.01 0.00 0.00 64.21 62.56 1n47 n SER 147 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1n47 h LYS 148 N -0.06 0.26 -1.97 1.43 1.63 -0.97 -3.47 116.57 113.43 1n47 h LYS 148 Ca -0.45 -0.21 -0.04 0.00 -0.85 0.00 0.00 60.65 59.10 1n47 h LYS 148 Cb 1.38 0.04 -0.20 0.00 -0.60 0.00 0.00 32.23 32.85 1n47 h LYS 148 CO 0.44 0.85 0.19 0.21 -3.45 0.00 0.00 179.45 177.70 1n47 s LYS 149 N -3.59 0.94 0.03 1.90 2.20 -1.24 -5.01 119.74 114.97 1n47 s LYS 149 Ca -0.04 0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 56.09 1n47 s LYS 149 Cb 0.11 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.86 1n47 s LYS 149 CO 0.81 -0.23 0.02 0.95 -0.36 0.00 0.00 175.35 176.55 1n47 s THR 150 N -0.54 0.15 0.03 3.43 -4.23 -1.26 -1.38 115.64 111.83 1n47 s THR 150 Ca -0.06 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1n47 s THR 150 Cb -0.02 -0.82 -0.02 0.00 1.34 0.00 0.00 72.50 72.98 1n47 s THR 150 CO 0.06 -0.66 -0.06 0.42 -0.54 0.00 0.00 174.62 173.84 1n47 s THR 151 N -2.51 0.36 0.72 3.99 -4.23 -0.62 -4.98 115.64 108.37 1n47 s THR 151 Ca -0.06 -0.88 -0.13 0.00 -1.18 0.00 0.00 61.69 59.44 1n47 s THR 151 Cb -0.02 -0.43 0.03 0.00 1.34 0.00 0.00 72.50 73.41 1n47 s THR 151 CO -0.05 -0.35 1.11 -2.84 -0.54 0.00 0.00 174.62 171.96 1n47 s PRO 152 N -1.30 2.48 0.12 3.99 0.02 -1.26 -1.49 135.00 137.55 1n47 s PRO 152 Ca -0.10 1.34 -0.25 0.00 0.02 0.00 0.00 61.00 62.02 1n47 s PRO 152 Cb -0.09 -1.91 0.07 0.00 0.02 0.00 0.00 34.50 32.59 1n47 s PRO 152 CO -0.00 -1.49 0.63 -0.59 -0.33 0.00 0.00 177.00 175.22 1n47 s PHE 153 N -2.53 -0.54 -0.23 6.54 -0.71 -0.98 -4.76 117.98 114.77 1n47 s PHE 153 Ca 0.65 0.43 -0.05 0.00 -1.04 0.00 0.00 56.93 56.92 1n47 s PHE 153 Cb -0.20 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.13 1n47 s PHE 153 CO 0.48 -0.79 0.00 -0.51 -1.34 0.00 0.00 175.22 173.06 1n47 s ASP 154 N -2.52 4.65 0.51 1.98 1.01 -1.26 -4.49 116.67 116.55 1n47 s ASP 154 Ca -0.00 -0.31 -0.21 0.00 0.71 0.00 0.00 52.55 52.74 1n47 s ASP 154 Cb -0.01 -1.81 -0.06 0.00 1.01 0.00 0.00 42.92 42.04 1n47 s ASP 154 CO -0.10 -0.02 1.15 -0.04 0.21 0.00 0.00 175.17 176.38 1n47 s MET 155 N 1.51 3.49 -0.21 8.23 -1.94 -1.26 -5.02 119.30 124.11 1n47 s MET 155 Ca 0.06 1.71 0.00 0.00 -1.71 0.00 0.00 55.69 55.75 1n47 s MET 155 Cb -0.15 -2.17 0.05 0.00 2.01 0.00 0.00 34.83 34.57 1n47 s MET 155 CO -0.00 -0.76 -0.07 0.08 -0.01 0.00 0.00 175.02 174.26 1n47 s VAL 156 N -1.65 1.47 0.54 -6.03 1.01 -1.26 -5.13 120.40 109.34 1n47 s VAL 156 Ca 0.69 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 1n47 s VAL 156 Cb -0.27 -1.64 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 1n47 s VAL 156 CO 0.31 0.05 1.02 -0.31 0.00 0.00 0.00 175.10 176.17 1n47 s TYR 157 N 1.45 3.19 0.00 5.22 1.51 -1.26 -3.49 117.35 123.97 1n47 s TYR 157 Ca -0.03 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 1n47 s TYR 157 Cb -0.17 -2.92 0.00 0.00 -0.11 0.00 0.00 41.96 38.76 1n47 s TYR 157 CO -0.07 -0.72 0.00 0.41 -1.11 0.00 0.00 175.55 174.06 1n47 n GLY 158 N -1.09 0.41 3.21 0.71 0.00 -0.72 -4.99 105.19 102.73 1n47 n GLY 158 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1n47 n GLY 158 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n47 s GLU 159 N -0.64 3.10 0.04 1.61 2.12 -1.23 -5.03 118.70 118.67 1n47 s GLU 159 Ca 0.00 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 1n47 s GLU 159 Cb 0.00 -2.51 -0.09 0.00 0.26 0.00 0.00 34.13 31.80 1n47 s GLU 159 CO 0.00 0.01 1.86 0.21 -0.54 0.00 0.00 175.26 176.80 1n47 s LYS 160 N 0.80 4.15 0.02 4.30 2.20 -1.26 -4.71 119.74 125.24 1n47 s LYS 160 Ca -0.07 2.52 -0.01 0.00 -0.36 0.00 0.00 55.97 58.05 1n47 s LYS 160 Cb -0.16 -3.98 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 1n47 s LYS 160 CO -0.01 -0.90 0.20 0.00 -0.36 0.00 0.00 175.35 174.28 1n47 s ALA 161 N 3.90 3.98 -0.23 3.13 0.00 0.17 -4.45 121.76 128.27 1n47 s ALA 161 Ca 0.83 -0.80 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1n47 s ALA 161 Cb -0.42 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1n47 s ALA 161 CO 0.38 0.79 -0.06 -0.80 0.00 0.00 0.00 175.76 176.07 1n47 s ASN 162 N -2.22 4.23 0.00 0.00 0.01 -0.90 -1.65 114.94 114.42 1n47 s ASN 162 Ca 0.31 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.94 1n47 s ASN 162 Cb -0.13 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.80 1n47 s ASN 162 CO 0.23 -0.06 -0.11 -0.63 -1.51 0.00 0.00 177.10 175.02 1n47 s ILE 163 N 1.42 3.28 -0.06 0.60 1.01 0.10 -1.42 121.20 126.13 1n47 s ILE 163 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1n47 s ILE 163 Cb -0.15 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.96 1n47 s ILE 163 CO -0.04 0.42 -0.03 -0.69 0.00 0.00 0.00 174.94 174.60 1n47 s VAL 164 N -0.92 0.51 -0.13 2.92 1.01 -0.84 -1.85 120.40 121.11 1n47 s VAL 164 Ca 0.15 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1n47 s VAL 164 Cb -0.11 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1n47 s VAL 164 CO 0.05 0.25 -0.17 -0.63 0.00 0.00 0.00 175.10 174.60 1n47 s ILE 165 N 1.35 1.71 0.04 2.22 1.01 -0.50 -0.55 121.20 126.48 1n47 s ILE 165 Ca -0.04 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 59.92 1n47 s ILE 165 Cb -0.13 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1n47 s ILE 165 CO -0.02 0.48 -0.19 0.28 0.00 0.00 0.00 174.94 175.49 1n47 s THR 166 N 1.03 1.52 -0.19 2.92 -1.32 0.39 -1.73 115.64 118.26 1n47 s THR 166 Ca -0.04 -1.12 0.01 0.00 -1.21 0.00 0.00 61.69 59.33 1n47 s THR 166 Cb -0.15 -1.33 0.04 0.00 -1.51 0.00 0.00 72.50 69.55 1n47 s THR 166 CO -0.04 0.17 -0.12 -0.47 -2.21 0.00 0.00 174.62 171.95 1n47 s TYR 167 N -0.78 2.44 -0.24 9.09 6.14 -0.00 -0.04 117.35 133.95 1n47 s TYR 167 Ca 0.06 -1.54 -0.14 0.00 0.64 0.00 0.00 57.07 56.09 1n47 s TYR 167 Cb -0.08 -1.67 -0.04 0.00 0.42 0.00 0.00 41.96 40.58 1n47 s TYR 167 CO 0.01 -0.74 0.30 -1.14 0.64 0.00 0.00 175.55 174.63 1n47 s GLN 168 N 1.39 4.07 0.25 4.97 0.74 -0.45 -1.82 119.66 128.81 1n47 s GLN 168 Ca 0.01 -0.04 0.05 0.00 0.05 0.00 0.00 55.36 55.43 1n47 s GLN 168 Cb -0.15 -3.59 0.29 0.00 1.10 0.00 0.00 33.01 30.66 1n47 s GLN 168 CO -0.09 -0.10 1.59 0.00 -0.55 0.00 0.00 175.29 176.13 1n47 h ALA 169 N 7.78 0.90 0.00 1.58 0.00 -1.88 -0.50 119.26 127.14 1n47 h ALA 169 Ca -0.35 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.01 1n47 h ALA 169 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1n47 h ALA 169 CO 0.66 0.71 -0.16 0.66 0.00 0.00 0.00 179.25 181.11 1n47 h SER 170 N 0.18 0.00 -0.00 0.00 4.64 -1.94 -2.87 113.55 113.56 1n47 h SER 170 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n47 h SER 170 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1n47 h SER 170 CO 0.09 0.16 -0.06 0.35 -0.87 0.00 0.00 176.83 176.50 1n47 n THR 171 N -3.44 0.00 -3.62 2.95 -2.24 -1.22 -5.00 114.28 101.70 1n47 n THR 171 Ca -0.01 -0.47 -0.26 0.00 -2.27 0.00 0.00 64.05 61.04 1n47 n THR 171 Cb 0.33 1.05 0.05 0.00 -2.10 0.00 0.00 70.33 69.67 1n47 n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n47 n LYS 172 N -0.27 -6.55 -3.80 -0.78 5.02 -0.22 -4.87 118.16 106.70 1n47 n LYS 172 Ca 0.02 0.75 -0.37 0.00 -2.02 0.00 0.00 58.31 56.68 1n47 n LYS 172 Cb 0.08 -5.71 -0.06 0.00 -0.02 0.00 0.00 35.03 29.32 1n47 n LYS 172 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n47 s ALA 173 N -3.28 3.81 -0.21 7.82 0.00 -1.05 -1.77 121.76 127.10 1n47 s ALA 173 Ca 0.57 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 1n47 s ALA 173 Cb -0.27 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 20.79 1n47 s ALA 173 CO 0.71 0.50 -0.11 -1.17 0.00 0.00 0.00 175.76 175.69 1n47 s LEU 174 N -0.71 2.64 -0.02 0.00 0.20 -0.61 -1.34 118.68 118.83 1n47 s LEU 174 Ca 0.15 -0.57 0.07 0.00 0.69 0.00 0.00 54.13 54.47 1n47 s LEU 174 Cb -0.12 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 1n47 s LEU 174 CO 0.04 -0.03 -0.24 0.00 -0.29 0.00 0.00 176.35 175.83 1n47 s ALA 175 N 1.38 2.01 0.01 5.97 0.00 0.94 -2.38 121.76 129.70 1n47 s ALA 175 Ca 0.05 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.01 1n47 s ALA 175 Cb -0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1n47 s ALA 175 CO -0.07 0.49 -0.14 0.00 0.00 0.00 0.00 175.76 176.04 1n47 s ALA 176 N -0.58 1.16 0.05 0.00 0.00 0.49 -0.46 121.76 122.42 1n47 s ALA 176 Ca 0.09 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1n47 s ALA 176 Cb -0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1n47 s ALA 176 CO -0.01 0.25 -0.07 -1.54 0.00 0.00 0.00 175.76 174.39 1n47 s SER 177 N -0.72 0.87 -0.05 0.00 1.04 0.29 -0.91 113.70 114.21 1n47 s SER 177 Ca 0.04 -0.63 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 1n47 s SER 177 Cb -0.07 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.13 1n47 s SER 177 CO 0.00 -0.26 0.02 -0.22 0.98 0.00 0.00 173.24 173.76 1n47 s LEU 178 N -1.85 0.61 0.01 2.42 2.96 -0.02 -1.98 118.68 120.83 1n47 s LEU 178 Ca -0.06 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 1n47 s LEU 178 Cb -0.07 -0.29 -0.02 0.00 0.50 0.00 0.00 46.19 46.31 1n47 s LEU 178 CO -0.01 -0.19 -0.20 0.68 -1.32 0.00 0.00 176.35 175.31 1n47 s VAL 179 N 1.78 1.63 -0.68 1.68 -7.23 -0.51 -1.11 120.40 115.95 1n47 s VAL 179 Ca 0.01 -0.99 -0.14 0.00 -1.81 0.00 0.00 61.98 59.05 1n47 s VAL 179 Cb -0.13 -1.38 0.17 0.00 0.56 0.00 0.00 36.38 35.61 1n47 s VAL 179 CO -0.04 0.36 0.62 -0.36 -0.31 0.00 0.00 175.10 175.37 1n47 s PHE 180 N -0.59 3.52 0.20 2.82 0.08 0.88 -2.11 117.98 122.78 1n47 s PHE 180 Ca 0.08 -1.75 -0.11 0.00 0.12 0.00 0.00 56.93 55.27 1n47 s PHE 180 Cb -0.08 -3.76 0.22 0.00 -0.57 0.00 0.00 43.02 38.83 1n47 s PHE 180 CO 0.00 -0.99 1.75 -1.00 -0.10 0.00 0.00 175.22 174.88 1n47 h PRO 181 N 8.22 0.41 0.05 0.24 0.13 -1.83 0.79 132.00 140.00 1n47 h PRO 181 Ca -0.08 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.91 1n47 h PRO 181 Cb 1.06 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.11 1n47 h PRO 181 CO 0.87 0.27 -0.47 0.28 -0.23 0.00 0.00 178.00 178.72 1n47 h VAL 182 N 0.42 1.55 0.00 1.56 2.07 -1.92 -3.21 116.25 116.72 1n47 h VAL 182 Ca 0.27 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.56 1n47 h VAL 182 Cb 0.29 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1n47 h VAL 182 CO -0.26 0.62 0.00 -1.20 0.02 0.00 0.00 177.57 176.76 1n47 n SER 183 N -4.34 0.36 -2.56 0.57 7.64 -1.14 -4.91 113.62 109.25 1n47 n SER 183 Ca -0.11 0.58 -0.16 0.00 1.01 0.00 0.00 58.87 60.19 1n47 n SER 183 Cb 0.64 -0.66 0.05 0.00 -1.01 0.00 0.00 64.21 63.23 1n47 n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n47 n GLN 184 N -1.89 -5.30 -4.40 1.43 6.02 0.27 -5.03 117.38 108.48 1n47 n GLN 184 Ca 0.03 0.56 -0.23 0.00 -0.01 0.00 0.00 57.00 57.34 1n47 n GLN 184 Cb 0.22 -4.77 -0.13 0.00 1.02 0.00 0.00 30.24 26.58 1n47 n GLN 184 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1n47 s THR 185 N -3.21 1.57 0.05 5.09 -4.23 -1.00 -4.96 115.64 108.95 1n47 s THR 185 Ca 0.39 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.52 1n47 s THR 185 Cb -0.17 -1.41 -0.02 0.00 1.34 0.00 0.00 72.50 72.23 1n47 s THR 185 CO 0.48 0.02 0.05 -0.94 -0.54 0.00 0.00 174.62 173.69 1n47 s SER 186 N -1.56 0.29 -0.01 3.99 1.04 -1.26 -0.08 113.70 116.11 1n47 s SER 186 Ca 0.05 -0.72 -0.06 0.00 0.48 0.00 0.00 55.95 55.70 1n47 s SER 186 Cb -0.09 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1n47 s SER 186 CO 0.03 -0.56 0.13 -0.31 0.98 0.00 0.00 173.24 173.51 1n47 s TYR 187 N -3.18 0.03 -0.03 5.02 1.51 -0.27 -4.99 117.35 115.44 1n47 s TYR 187 Ca -0.00 -0.08 -0.12 0.00 -1.01 0.00 0.00 57.07 55.86 1n47 s TYR 187 Cb 0.02 -0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.85 1n47 s TYR 187 CO -0.07 -0.25 0.26 0.00 -1.11 0.00 0.00 175.55 174.38 1n47 s ALA 188 N -1.16 -0.64 -0.02 3.71 0.00 -1.26 -0.84 121.76 121.55 1n47 s ALA 188 Ca -0.13 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1n47 s ALA 188 Cb -0.07 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1n47 s ALA 188 CO 0.01 -0.22 0.28 0.08 0.00 0.00 0.00 175.76 175.91 1n47 s VAL 189 N -1.03 0.06 -0.03 0.00 1.01 -0.08 -4.99 120.40 115.33 1n47 s VAL 189 Ca -0.11 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1n47 s VAL 189 Cb -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1n47 s VAL 189 CO 0.03 -0.26 0.11 -0.55 0.00 0.00 0.00 175.10 174.43 1n47 s SER 190 N -1.22 -0.06 0.07 3.32 0.15 -1.26 -0.38 113.70 114.32 1n47 s SER 190 Ca -0.13 0.06 -0.07 0.00 0.70 0.00 0.00 55.95 56.52 1n47 s SER 190 Cb -0.05 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.47 1n47 s SER 190 CO 0.03 -0.15 0.13 0.00 1.20 0.00 0.00 173.24 174.45 1n47 s ALA 191 N -0.45 -0.04 -0.13 5.45 0.00 -1.00 -5.03 121.76 120.56 1n47 s ALA 191 Ca -0.05 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1n47 s ALA 191 Cb -0.03 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1n47 s ALA 191 CO 0.00 -0.45 0.10 1.03 0.00 0.00 0.00 175.76 176.44 1n47 s ARG 192 N -3.68 3.50 -0.22 0.00 0.52 -1.26 -1.58 118.95 116.23 1n47 s ARG 192 Ca 0.04 -0.23 -0.15 0.00 -0.52 0.00 0.00 55.73 54.87 1n47 s ARG 192 Cb 0.05 -3.13 0.07 0.00 0.52 0.00 0.00 34.95 32.45 1n47 s ARG 192 CO -0.10 0.64 0.56 0.54 0.02 0.00 0.00 175.30 176.96 1n47 s VAL 193 N -0.64 -0.01 -0.36 3.52 0.11 -0.73 -4.99 120.40 117.31 1n47 s VAL 193 Ca 0.12 0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 58.98 1n47 s VAL 193 Cb -0.12 -0.81 0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1n47 s VAL 193 CO 0.02 0.01 0.75 -0.62 -3.33 0.00 0.00 175.10 171.94 1n47 s ASP 194 N 1.22 6.54 0.58 3.54 -1.08 -1.26 -4.69 116.67 121.51 1n47 s ASP 194 Ca -0.07 0.35 0.35 0.00 -0.52 0.00 0.00 52.55 52.65 1n47 s ASP 194 Cb -0.06 -2.38 1.75 0.00 -1.46 0.00 0.00 42.92 40.77 1n47 s ASP 194 CO -0.12 -0.69 2.15 -0.07 0.52 0.00 0.00 175.17 176.96 1n47 h LEU 195 N 9.64 0.00 -2.04 -1.34 3.38 -1.98 -2.94 115.31 120.02 1n47 h LEU 195 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1n47 h LEU 195 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1n47 h LEU 195 CO 0.89 0.05 -0.07 0.03 0.09 0.00 0.00 178.44 179.43 1n47 h ARG 196 N 0.00 0.00 -0.01 1.13 3.08 -1.91 -0.66 114.38 116.01 1n47 h ARG 196 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n47 h ARG 196 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1n47 h ARG 196 CO 0.01 0.07 -0.44 -0.25 -1.07 0.00 0.00 179.97 178.29 1n47 n ASP 197 N -3.42 1.01 -0.07 7.04 8.00 -1.11 -4.51 116.55 123.48 1n47 n ASP 197 Ca -0.02 -0.80 -0.12 0.00 0.71 0.00 0.00 54.79 54.57 1n47 n ASP 197 Cb 0.22 0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 1n47 n ASP 197 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1n47 n ILE 198 N -0.90 0.74 -4.18 0.53 2.08 -0.63 -5.07 119.36 111.92 1n47 n ILE 198 Ca 0.09 -0.24 -0.23 0.00 0.56 0.00 0.00 62.75 62.93 1n47 n ILE 198 Cb 0.36 -1.31 -0.06 0.00 -0.75 0.00 0.00 39.64 37.89 1n47 n ILE 198 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1n47 s LEU 199 N -6.22 3.55 0.94 1.39 1.43 -0.35 -4.60 118.68 114.81 1n47 s LEU 199 Ca -0.18 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 1n47 s LEU 199 Cb 0.06 -2.10 0.17 0.00 0.03 0.00 0.00 46.19 44.35 1n47 s LEU 199 CO 0.27 -0.00 1.25 -2.16 0.23 0.00 0.00 176.35 175.94 1n47 s PRO 200 N -3.62 0.87 0.31 1.29 0.05 -1.26 -4.78 135.00 127.86 1n47 s PRO 200 Ca 0.32 -0.18 0.00 0.00 0.05 0.00 0.00 61.00 61.19 1n47 s PRO 200 Cb -0.08 -1.85 0.51 0.00 0.05 0.00 0.00 34.50 33.13 1n47 s PRO 200 CO 0.22 -2.30 1.93 0.93 0.05 0.00 0.00 177.00 177.83 1n47 h GLU 201 N -1.56 0.87 -5.43 4.56 5.08 -1.96 -3.42 114.58 112.71 1n47 h GLU 201 Ca -0.45 -0.10 -0.67 0.00 -1.00 0.00 0.00 59.36 57.13 1n47 h GLU 201 Cb 1.27 -0.17 -0.33 0.00 0.50 0.00 0.00 28.75 30.03 1n47 h GLU 201 CO 0.47 0.66 -0.88 0.71 -1.00 0.00 0.00 179.01 178.98 1n47 s TYR 202 N -5.53 2.46 0.33 4.33 1.51 -1.26 -0.36 117.35 118.82 1n47 s TYR 202 Ca -0.10 -0.95 0.03 0.00 -1.01 0.00 0.00 57.07 55.04 1n47 s TYR 202 Cb 0.17 -1.64 -0.05 0.00 -0.11 0.00 0.00 41.96 40.32 1n47 s TYR 202 CO 0.78 -0.37 0.09 0.14 -1.11 0.00 0.00 175.55 175.08 1n47 s VAL 203 N 0.25 0.88 0.26 0.71 -7.23 -0.99 -4.24 120.40 110.03 1n47 s VAL 203 Ca -0.15 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.11 1n47 s VAL 203 Cb -0.17 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1n47 s VAL 203 CO 0.08 0.00 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.69 1n47 s ARG 204 N -3.88 2.18 0.10 4.82 0.52 0.37 -1.07 118.95 121.99 1n47 s ARG 204 Ca 0.34 -1.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.15 1n47 s ARG 204 Cb 0.07 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1n47 s ARG 204 CO 0.15 0.37 -0.11 0.14 0.02 0.00 0.00 175.30 175.87 1n47 s VAL 205 N -2.26 0.98 -3.48 3.52 -7.23 -1.26 -2.61 120.40 108.05 1n47 s VAL 205 Ca 0.30 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1n47 s VAL 205 Cb -0.07 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.53 1n47 s VAL 205 CO 0.19 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1n47 n GLY 206 N 0.61 -0.71 3.41 2.32 0.00 -1.09 -1.29 105.19 108.44 1n47 n GLY 206 Ca -0.16 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 1n47 n GLY 206 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n47 s PHE 207 N -3.00 2.11 -0.07 1.61 0.40 -0.30 -0.81 117.98 117.92 1n47 s PHE 207 Ca 0.00 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.78 1n47 s PHE 207 Cb 0.00 -0.97 0.03 0.00 0.51 0.00 0.00 43.02 42.59 1n47 s PHE 207 CO 0.00 0.54 0.35 0.45 0.70 0.00 0.00 175.22 177.26 1n47 s SER 208 N -3.14 -0.29 -0.08 1.36 0.15 -0.80 -1.25 113.70 109.65 1n47 s SER 208 Ca 0.24 0.40 -0.30 0.00 0.70 0.00 0.00 55.95 56.99 1n47 s SER 208 Cb -0.05 0.52 0.07 0.00 -1.71 0.00 0.00 66.02 64.85 1n47 s SER 208 CO 0.11 -0.31 0.69 0.00 1.20 0.00 0.00 173.24 174.94 1n47 s ALA 209 N -0.64 -1.78 0.04 5.45 0.00 -0.87 -0.75 121.76 123.22 1n47 s ALA 209 Ca -0.07 1.41 -0.01 0.00 0.00 0.00 0.00 51.96 53.29 1n47 s ALA 209 Cb -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1n47 s ALA 209 CO 0.03 -0.36 -0.03 0.95 0.00 0.00 0.00 175.76 176.34 1n47 s THR 210 N -1.01 0.21 0.32 0.00 -4.23 -1.16 -2.33 115.64 107.44 1n47 s THR 210 Ca -0.09 -1.62 0.08 0.00 -1.18 0.00 0.00 61.69 58.88 1n47 s THR 210 Cb -0.01 -1.25 -0.03 0.00 1.34 0.00 0.00 72.50 72.55 1n47 s THR 210 CO 0.09 -0.89 0.20 0.42 -0.54 0.00 0.00 174.62 173.90 1n47 s THR 211 N -3.38 3.44 0.76 3.99 -4.23 -1.01 -1.49 115.64 113.72 1n47 s THR 211 Ca 0.02 -1.54 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 1n47 s THR 211 Cb 0.04 -3.10 0.06 0.00 1.34 0.00 0.00 72.50 70.83 1n47 s THR 211 CO -0.08 -0.21 1.18 -0.83 -0.54 0.00 0.00 174.62 174.14 1n47 s GLY 212 N -3.90 2.18 -0.01 3.99 0.00 -1.14 -4.17 107.32 104.26 1n47 s GLY 212 Ca 0.38 0.77 0.01 0.00 0.00 0.00 0.00 44.72 45.88 1n47 s GLY 212 CO 0.24 1.17 0.61 1.04 0.00 0.00 0.00 173.10 176.17 1n47 n LEU 213 N -3.03 1.12 -3.91 0.66 4.77 -1.26 -2.21 117.00 113.14 1n47 n LEU 213 Ca 0.13 -0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 55.46 1n47 n LEU 213 Cb 0.51 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 1n47 n LEU 213 CO 0.48 0.24 -0.16 0.20 -1.33 0.00 0.00 177.39 176.82 1n47 s ASN 214 N -0.14 0.18 0.50 -1.43 -0.87 -1.26 -4.90 114.94 107.02 1n47 s ASN 214 Ca 0.03 -0.65 -0.21 0.00 -1.57 0.00 0.00 52.86 50.46 1n47 s ASN 214 Cb 0.02 0.29 -0.06 0.00 -0.02 0.00 0.00 41.25 41.47 1n47 s ASN 214 CO 0.01 -0.64 1.17 0.00 -2.57 0.00 0.00 177.10 175.06 1n47 s ALA 215 N -3.45 2.83 0.00 0.60 0.00 -1.26 -3.13 121.76 117.35 1n47 s ALA 215 Ca 0.02 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1n47 s ALA 215 Cb 0.03 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1n47 s ALA 215 CO -0.09 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1n47 n GLY 216 N 0.37 2.41 3.19 0.00 0.00 -1.26 -4.87 105.19 105.02 1n47 n GLY 216 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.68 1n47 n GLY 216 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n47 n VAL 217 N -1.92 4.69 -3.63 1.61 0.31 -1.18 -4.64 118.33 113.56 1n47 n VAL 217 Ca 0.00 -5.23 -0.13 0.00 -0.01 0.00 0.00 64.34 58.97 1n47 n VAL 217 Cb 0.00 -2.38 -0.06 0.00 -0.91 0.00 0.00 33.84 30.49 1n47 n VAL 217 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1n47 s VAL 218 N -0.81 0.05 0.01 2.52 0.11 -1.09 -2.89 120.40 118.29 1n47 s VAL 218 Ca 0.35 -0.37 -0.28 0.00 -2.93 0.00 0.00 61.98 58.75 1n47 s VAL 218 Cb -0.01 -0.95 0.07 0.00 -1.53 0.00 0.00 36.38 33.96 1n47 s VAL 218 CO 0.01 -0.21 0.63 -1.83 -3.33 0.00 0.00 175.10 170.37 1n47 s GLU 219 N -2.40 1.10 0.79 1.54 -1.05 -1.22 -4.54 118.70 112.92 1n47 s GLU 219 Ca -0.06 0.02 -0.11 0.00 -0.15 0.00 0.00 54.97 54.67 1n47 s GLU 219 Cb -0.01 0.51 0.06 0.00 -0.44 0.00 0.00 34.13 34.26 1n47 s GLU 219 CO -0.02 -0.38 1.09 0.95 0.95 0.00 0.00 175.26 177.85 1n47 s THR 220 N -1.93 3.21 -0.40 1.83 -4.23 0.03 -4.87 115.64 109.27 1n47 s THR 220 Ca -0.08 0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 1n47 s THR 220 Cb -0.00 -3.10 0.16 0.00 1.34 0.00 0.00 72.50 70.90 1n47 s THR 220 CO 0.03 -0.51 0.34 -1.00 -0.54 0.00 0.00 174.62 172.94 1n47 s HIS 221 N -3.10 0.64 -0.17 3.99 0.09 -1.26 -4.00 115.29 111.48 1n47 s HIS 221 Ca 0.61 -1.87 -0.08 0.00 -0.00 0.00 0.00 55.06 53.72 1n47 s HIS 221 Cb -0.15 -0.76 -0.04 0.00 -0.00 0.00 0.00 32.58 31.63 1n47 s HIS 221 CO 0.55 -0.88 0.09 -0.51 -0.00 0.00 0.00 174.74 173.99 1n47 s ASP 222 N 0.50 5.94 -0.17 1.40 1.01 -0.47 -1.60 116.67 123.28 1n47 s ASP 222 Ca 0.28 0.22 -0.14 0.00 0.71 0.00 0.00 52.55 53.61 1n47 s ASP 222 Cb -0.05 -1.98 -0.05 0.00 1.01 0.00 0.00 42.92 41.86 1n47 s ASP 222 CO -0.12 0.25 0.30 -0.63 0.21 0.00 0.00 175.17 175.18 1n47 s ILE 223 N -0.05 5.29 -0.16 0.77 -1.09 0.06 -1.47 121.20 124.56 1n47 s ILE 223 Ca 0.08 0.56 0.11 0.00 -2.23 0.00 0.00 60.65 59.17 1n47 s ILE 223 Cb -0.12 -3.64 -0.17 0.00 -1.58 0.00 0.00 42.46 36.95 1n47 s ILE 223 CO 0.00 0.36 0.00 0.52 -1.23 0.00 0.00 174.94 174.60 1n47 n VAL 224 N 3.75 1.04 -3.45 2.92 0.31 0.69 -1.60 118.33 121.98 1n47 n VAL 224 Ca -0.11 -0.58 -0.12 0.00 -0.01 0.00 0.00 64.34 63.51 1n47 n VAL 224 Cb 0.52 -0.74 -0.03 0.00 -0.91 0.00 0.00 33.84 32.69 1n47 n VAL 224 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1n47 s SER 225 N -5.07 -0.53 -0.28 4.52 1.04 -1.24 -4.45 113.70 107.68 1n47 s SER 225 Ca -0.12 -0.01 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 1n47 s SER 225 Cb 0.05 0.58 0.10 0.00 0.10 0.00 0.00 66.02 66.85 1n47 s SER 225 CO 0.57 -0.94 0.80 0.86 0.98 0.00 0.00 173.24 175.51 1n47 s TRP 226 N -3.64 -0.88 0.03 5.02 -0.00 -0.22 -2.77 118.94 116.48 1n47 s TRP 226 Ca 0.01 1.77 0.00 0.00 -0.00 0.00 0.00 56.10 57.88 1n47 s TRP 226 Cb -0.01 0.53 -0.02 0.00 -0.00 0.00 0.00 33.47 33.97 1n47 s TRP 226 CO -0.12 -0.44 -0.04 -1.54 -0.00 0.00 0.00 176.95 174.81 1n47 s SER 227 N 1.53 0.41 -0.12 5.86 1.04 -0.15 0.61 113.70 122.87 1n47 s SER 227 Ca -0.10 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 1n47 s SER 227 Cb -0.04 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.21 1n47 s SER 227 CO -0.18 -0.32 0.32 0.12 0.98 0.00 0.00 173.24 174.17 1n47 s PHE 228 N -1.77 -0.36 -0.08 5.02 5.36 0.19 -1.55 117.98 124.80 1n47 s PHE 228 Ca -0.12 0.87 -0.05 0.00 -0.96 0.00 0.00 56.93 56.67 1n47 s PHE 228 Cb -0.08 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.76 1n47 s PHE 228 CO -0.02 -0.17 0.20 0.00 -1.46 0.00 0.00 175.22 173.77 1n47 s ALA 229 N 0.18 -0.44 0.13 11.12 0.00 -0.24 -1.67 121.76 130.84 1n47 s ALA 229 Ca -0.00 0.74 0.05 0.00 0.00 0.00 0.00 51.96 52.74 1n47 s ALA 229 Cb -0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1n47 s ALA 229 CO 0.00 -0.15 -0.11 0.14 0.00 0.00 0.00 175.76 175.65 1n47 s VAL 230 N 0.80 1.14 -0.09 0.00 -7.23 -0.75 -1.09 120.40 113.17 1n47 s VAL 230 Ca -0.06 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1n47 s VAL 230 Cb -0.07 -1.68 0.05 0.00 0.56 0.00 0.00 36.38 35.23 1n47 s VAL 230 CO -0.04 -0.65 0.20 -0.44 -0.31 0.00 0.00 175.10 173.86 1n47 s SER 231 N -2.88 -0.04 -0.32 4.85 0.01 -0.73 -2.23 113.70 112.35 1n47 s SER 231 Ca 0.13 0.43 -0.04 0.00 1.31 0.00 0.00 55.95 57.77 1n47 s SER 231 Cb 0.00 0.34 0.05 0.00 0.21 0.00 0.00 66.02 66.62 1n47 s SER 231 CO 0.01 -0.17 0.06 -0.22 0.41 0.00 0.00 173.24 173.32 1n47 s LEU 232 N 1.45 4.14 0.00 2.44 2.96 -0.15 -1.32 118.68 128.19 1n47 s LEU 232 Ca -0.07 -1.23 0.31 0.00 -0.22 0.00 0.00 54.13 52.92 1n47 s LEU 232 Cb -0.11 -1.79 1.68 0.00 0.50 0.00 0.00 46.19 46.47 1n47 s LEU 232 CO -0.07 -0.30 2.10 0.00 -1.32 0.00 0.00 176.35 176.76