#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 0.04 0.03 -2.82 2.02 -0.84 -4.99 118.70 112.14 1n47 s GLU 2 Ca 0.00 0.08 0.01 0.00 0.02 0.00 0.00 54.97 55.08 1n47 s GLU 2 Cb 0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.20 1n47 s GLU 2 CO 0.00 -0.03 -0.04 -1.54 0.02 0.00 0.00 175.26 173.67 1n47 s SER 3 N 0.15 0.39 -0.00 -0.19 1.04 -1.26 -0.83 113.70 113.00 1n47 s SER 3 Ca -0.01 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1n47 s SER 3 Cb -0.02 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1n47 s SER 3 CO -0.00 -0.28 -0.11 -0.89 0.98 0.00 0.00 173.24 172.94 1n47 s THR 4 N -1.44 0.85 -0.09 2.02 2.01 -1.01 -4.95 115.64 113.03 1n47 s THR 4 Ca -0.15 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.13 1n47 s THR 4 Cb -0.10 -0.72 0.05 0.00 0.01 0.00 0.00 72.50 71.74 1n47 s THR 4 CO -0.01 0.20 0.50 -0.94 -0.69 0.00 0.00 174.62 173.69 1n47 s SER 5 N -0.35 -0.46 0.05 3.53 1.04 -1.26 -1.03 113.70 115.21 1n47 s SER 5 Ca 0.04 0.63 -0.19 0.00 0.48 0.00 0.00 55.95 56.91 1n47 s SER 5 Cb -0.05 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.77 1n47 s SER 5 CO -0.00 -0.40 0.42 0.72 0.98 0.00 0.00 173.24 174.96 1n47 s PHE 6 N -0.70 -0.28 -0.06 5.02 -0.71 -0.84 -4.99 117.98 115.42 1n47 s PHE 6 Ca -0.08 0.24 -0.15 0.00 -1.04 0.00 0.00 56.93 55.91 1n47 s PHE 6 Cb -0.03 0.24 0.03 0.00 -1.21 0.00 0.00 43.02 42.04 1n47 s PHE 6 CO 0.05 -0.58 0.35 -1.54 -1.34 0.00 0.00 175.22 172.15 1n47 s SER 7 N -2.03 -0.28 -0.06 1.98 1.04 -1.26 -0.85 113.70 112.24 1n47 s SER 7 Ca -0.05 0.35 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 1n47 s SER 7 Cb -0.01 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1n47 s SER 7 CO -0.03 -0.34 -0.02 -0.36 0.98 0.00 0.00 173.24 173.47 1n47 s PHE 8 N -0.79 0.74 -0.54 5.02 0.08 0.44 -4.99 117.98 117.95 1n47 s PHE 8 Ca -0.09 -0.21 0.23 0.00 0.12 0.00 0.00 56.93 56.98 1n47 s PHE 8 Cb -0.04 -0.77 0.19 0.00 -0.57 0.00 0.00 43.02 41.83 1n47 s PHE 8 CO 0.03 -0.28 1.18 2.41 -0.10 0.00 0.00 175.22 178.45 1n47 n THR 9 N 4.70 0.36 -3.65 0.64 -1.04 -1.26 -1.79 114.28 112.24 1n47 n THR 9 Ca -0.15 -0.33 -0.02 0.00 -2.04 0.00 0.00 64.05 61.52 1n47 n THR 9 Cb 0.50 -0.09 -0.01 0.00 -1.82 0.00 0.00 70.33 68.91 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 -4.40 -0.13 0.44 8.00 4.22 -1.26 -4.69 114.94 117.12 1n47 s ASN 10 Ca 0.04 -0.19 0.06 0.00 -2.14 0.00 0.00 52.86 50.63 1n47 s ASN 10 Cb 0.13 0.28 -0.04 0.00 1.28 0.00 0.00 41.25 42.89 1n47 s ASN 10 CO 0.76 -0.50 0.14 -0.36 -2.04 0.00 0.00 177.10 175.09 1n47 s PHE 11 N -2.75 2.37 0.07 1.54 0.08 -1.09 -5.07 117.98 113.15 1n47 s PHE 11 Ca 0.12 -0.69 0.07 0.00 0.12 0.00 0.00 56.93 56.56 1n47 s PHE 11 Cb 0.02 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1n47 s PHE 11 CO -0.02 0.19 -0.20 -0.80 -0.10 0.00 0.00 175.22 174.28 1n47 s ASN 12 N -3.89 2.40 0.48 1.36 0.01 -1.26 -4.48 114.94 109.55 1n47 s ASN 12 Ca 0.33 -0.61 0.21 0.00 -0.71 0.00 0.00 52.86 52.09 1n47 s ASN 12 Cb 0.04 -0.16 1.24 0.00 0.41 0.00 0.00 41.25 42.78 1n47 s ASN 12 CO 0.18 0.09 1.94 -0.65 -1.51 0.00 0.00 177.10 177.15 1n47 h PRO 13 N 4.44 0.21 -1.71 -0.60 0.11 -1.82 -2.42 132.00 130.20 1n47 h PRO 13 Ca -0.44 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 64.95 1n47 h PRO 13 Cb 1.17 -0.05 -0.32 0.00 0.11 0.00 0.00 31.00 31.92 1n47 h PRO 13 CO 0.41 0.14 0.51 0.27 -0.21 0.00 0.00 178.00 179.12 1n47 n ASN 14 N -4.42 6.73 -4.57 -2.05 6.94 -1.26 -4.81 115.26 111.82 1n47 n ASN 14 Ca 0.14 -3.80 -0.26 0.00 -0.02 0.00 0.00 54.58 50.63 1n47 n ASN 14 Cb 0.63 -0.87 -0.06 0.00 -2.36 0.00 0.00 39.78 37.12 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 -3.89 2.41 0.00 -3.83 2.00 -0.91 -4.75 119.66 110.68 1n47 s GLN 15 Ca 0.52 -0.74 0.11 0.00 -2.00 0.00 0.00 55.36 53.26 1n47 s GLN 15 Cb 0.44 -5.15 0.58 0.00 0.80 0.00 0.00 33.01 29.68 1n47 s GLN 15 CO -0.29 -3.86 1.27 0.09 -0.50 0.00 0.00 175.29 171.99 1n47 n ASN 16 N 14.69 0.00 -1.20 6.67 5.03 -1.26 -2.19 115.26 136.99 1n47 n ASN 16 Ca 0.43 0.12 0.10 0.00 0.87 0.00 0.00 54.58 56.10 1n47 n ASN 16 Cb 0.47 -0.28 0.29 0.00 -1.02 0.00 0.00 39.78 39.23 1n47 n ASN 16 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1n47 n ASN 17 N -1.28 3.49 -4.50 6.41 0.23 -1.26 -4.86 115.26 113.48 1n47 n ASN 17 Ca 0.05 -2.00 -0.27 0.00 -0.53 0.00 0.00 54.58 51.84 1n47 n ASN 17 Cb 0.09 -0.44 -0.10 0.00 -2.08 0.00 0.00 39.78 37.25 1n47 n ASN 17 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1n47 s LEU 18 N -1.00 2.73 -0.30 -4.53 1.43 -0.93 -2.14 118.68 113.93 1n47 s LEU 18 Ca 0.44 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1n47 s LEU 18 Cb 0.23 -1.43 0.04 0.00 0.03 0.00 0.00 46.19 45.06 1n47 s LEU 18 CO 0.30 0.11 0.01 -0.63 0.23 0.00 0.00 176.35 176.37 1n47 s ILE 19 N -1.71 3.16 -0.24 -0.59 1.01 0.85 -4.81 121.20 118.86 1n47 s ILE 19 Ca 0.23 -1.26 -0.14 0.00 0.00 0.00 0.00 60.65 59.48 1n47 s ILE 19 Cb -0.08 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1n47 s ILE 19 CO 0.13 -0.07 0.34 -0.76 0.00 0.00 0.00 174.94 174.58 1n47 s LEU 20 N 1.30 4.09 0.01 2.97 1.02 -1.26 -1.50 118.68 125.31 1n47 s LEU 20 Ca -0.04 0.33 0.04 0.00 0.02 0.00 0.00 54.13 54.48 1n47 s LEU 20 Cb -0.19 -2.40 -0.03 0.00 0.02 0.00 0.00 46.19 43.59 1n47 s LEU 20 CO -0.01 -0.11 -0.08 -1.10 0.02 0.00 0.00 176.35 175.07 1n47 s GLN 21 N 1.67 2.48 5.56 1.70 -0.21 0.24 -4.95 119.66 126.14 1n47 s GLN 21 Ca 0.15 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.77 1n47 s GLN 21 Cb -0.15 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.40 1n47 s GLN 21 CO 0.09 0.59 0.00 0.39 -2.12 0.00 0.00 175.29 174.24 1n47 n GLU 22 N 1.53 0.00 0.14 2.91 -0.58 -1.26 -2.37 120.64 121.01 1n47 n GLU 22 Ca -0.15 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.61 1n47 n GLU 22 Cb 0.52 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.48 1n47 n GLU 22 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1n47 h ASP 23 N 0.00 0.00 -1.81 1.62 3.45 -1.51 -3.48 116.42 114.69 1n47 h ASP 23 Ca 0.00 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.83 1n47 h ASP 23 Cb 0.00 0.00 0.12 0.00 -0.56 0.00 0.00 39.33 38.89 1n47 h ASP 23 CO 0.00 0.52 -0.35 0.00 -1.57 0.00 0.00 179.24 177.84 1n47 n ALA 24 N -2.25 -1.80 -3.48 3.45 0.00 -1.15 -4.80 120.51 110.49 1n47 n ALA 24 Ca 0.01 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 1n47 n ALA 24 Cb 0.70 -1.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 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 2.09 -0.48 -0.17 0.00 0.20 -0.91 -4.76 118.68 114.66 1n47 s LEU 25 Ca 0.62 0.14 -0.04 0.00 0.69 0.00 0.00 54.13 55.53 1n47 s LEU 25 Cb -0.76 2.28 -0.03 0.00 -0.43 0.00 0.00 46.19 47.26 1n47 s LEU 25 CO 0.58 -0.72 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.21 1n47 s VAL 26 N -2.88 3.94 0.96 1.68 1.01 -1.26 -0.85 120.40 123.00 1n47 s VAL 26 Ca 0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1n47 s VAL 26 Cb -0.01 -2.74 0.13 0.00 0.00 0.00 0.00 36.38 33.76 1n47 s VAL 26 CO -0.07 0.47 0.88 0.59 0.00 0.00 0.00 175.10 176.98 1n47 n ASN 27 N 3.75 -0.66 0.19 3.32 4.13 -0.97 -4.58 115.26 120.43 1n47 n ASN 27 Ca -0.17 0.31 0.05 0.00 1.68 0.00 0.00 54.58 56.45 1n47 n ASN 27 Cb 0.52 -1.36 0.32 0.00 -1.54 0.00 0.00 39.78 37.73 1n47 n ASN 27 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1n47 h SER 28 N -1.90 0.00 -0.12 6.41 4.64 -1.98 -1.41 113.55 119.19 1n47 h SER 28 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1n47 h SER 28 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1n47 h SER 28 CO 0.40 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 1n47 n ALA 29 N -2.30 2.54 -2.93 5.18 0.00 -1.26 -4.94 120.51 116.80 1n47 n ALA 29 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1n47 n ALA 29 Cb 0.52 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 0.29 3.07 0.00 0.00 -0.53 -4.97 105.19 104.02 1n47 n GLY 30 Ca 0.14 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.14 1.39 -0.58 2.61 2.01 -1.26 -2.66 115.64 114.02 1n47 s THR 31 Ca 0.22 -0.62 -0.27 0.00 0.31 0.00 0.00 61.69 61.33 1n47 s THR 31 Cb -0.10 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.16 1n47 s THR 31 CO 0.31 0.41 1.57 -0.22 -0.69 0.00 0.00 174.62 176.01 1n47 s LEU 32 N 0.67 3.35 -0.75 4.42 2.96 -0.75 -2.29 118.68 126.29 1n47 s LEU 32 Ca -0.14 0.31 -0.22 0.00 -0.22 0.00 0.00 54.13 53.85 1n47 s LEU 32 Cb -0.16 -2.88 0.07 0.00 0.50 0.00 0.00 46.19 43.72 1n47 s LEU 32 CO 0.04 -1.93 1.07 -1.61 -1.32 0.00 0.00 176.35 172.60 1n47 s GLU 33 N 6.01 3.24 0.11 1.98 2.02 -0.03 -1.10 118.70 130.93 1n47 s GLU 33 Ca 0.57 -0.94 -0.18 0.00 0.02 0.00 0.00 54.97 54.44 1n47 s GLU 33 Cb -0.12 -4.43 -0.05 0.00 0.10 0.00 0.00 34.13 29.63 1n47 s GLU 33 CO 0.23 -1.88 1.66 -0.07 0.02 0.00 0.00 175.26 175.22 1n47 h LEU 34 N 11.52 0.40 -9.86 1.80 3.38 -1.71 -2.42 115.31 118.41 1n47 h LEU 34 Ca -0.17 -0.16 -0.52 0.00 0.09 0.00 0.00 57.88 57.13 1n47 h LEU 34 Cb 1.05 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1n47 h LEU 34 CO 1.20 0.45 -0.53 0.42 0.09 0.00 0.00 178.44 180.07 1n47 s THR 35 N -5.58 3.90 0.30 0.22 -4.23 -1.26 -2.91 115.64 106.07 1n47 s THR 35 Ca -0.13 -1.52 -0.29 0.00 -1.18 0.00 0.00 61.69 58.56 1n47 s THR 35 Cb 0.09 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.62 1n47 s THR 35 CO 0.73 -0.30 1.20 0.00 -0.54 0.00 0.00 174.62 175.71 1n47 s ALA 36 N -2.24 3.45 -0.16 3.99 0.00 -1.26 -4.76 121.76 120.77 1n47 s ALA 36 Ca 0.35 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1n47 s ALA 36 Cb -0.07 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1n47 s ALA 36 CO 0.24 -0.39 -0.18 0.08 0.00 0.00 0.00 175.76 175.51 1n47 s VAL 37 N -1.11 1.88 0.00 0.00 1.01 -1.26 -2.10 120.40 118.82 1n47 s VAL 37 Ca 0.47 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1n47 s VAL 37 Cb -0.36 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1n47 s VAL 37 CO 0.46 0.51 0.00 0.00 0.00 0.00 0.00 175.10 176.08 1n47 n ALA 38 N 4.62 0.00 -1.17 5.51 0.00 0.68 -4.87 120.51 125.29 1n47 n ALA 38 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1n47 n ALA 38 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1n47 n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n47 n ALA 39 N -2.24 0.00 -1.98 0.00 0.00 -1.26 -4.75 120.51 110.28 1n47 n ALA 39 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1n47 n ALA 39 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1n47 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n47 n GLY 40 N 2.82 2.88 3.35 0.00 0.00 -1.26 -5.04 105.19 107.94 1n47 n GLY 40 Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.49 2.30 0.23 4.61 0.00 -1.26 -4.96 121.76 121.19 1n47 s ALA 41 Ca 0.32 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 1n47 s ALA 41 Cb 0.34 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 22.67 1n47 s ALA 41 CO -0.10 0.51 1.23 -2.14 0.00 0.00 0.00 175.76 175.26 1n47 s PRO 42 N -0.53 4.46 -0.02 0.00 0.02 -1.26 -0.23 135.00 137.45 1n47 s PRO 42 Ca 0.07 1.98 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 1n47 s PRO 42 Cb -0.11 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 1n47 s PRO 42 CO 0.00 -0.10 0.31 0.08 -0.33 0.00 0.00 177.00 176.97 1n47 s VAL 43 N -0.41 5.21 0.78 3.83 1.01 -0.89 -4.87 120.40 125.06 1n47 s VAL 43 Ca 0.52 0.49 -0.12 0.00 0.00 0.00 0.00 61.98 62.87 1n47 s VAL 43 Cb -0.35 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.50 1n47 s VAL 43 CO 0.41 0.51 1.12 -2.16 0.00 0.00 0.00 175.10 174.97 1n47 s PRO 44 N -1.32 2.23 -0.77 2.72 0.04 -1.26 -4.11 135.00 132.53 1n47 s PRO 44 Ca 0.24 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1n47 s PRO 44 Cb -0.14 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1n47 s PRO 44 CO 0.12 -1.47 0.00 -3.47 0.04 0.00 0.00 177.00 172.22 1n47 n ASP 45 N -3.29 -4.36 -4.85 6.66 -0.08 -0.29 -4.98 116.55 105.36 1n47 n ASP 45 Ca 0.07 0.18 -0.34 0.00 -1.51 0.00 0.00 54.79 53.19 1n47 n ASP 45 Cb 0.58 -2.49 -0.06 0.00 2.34 0.00 0.00 41.12 41.49 1n47 n ASP 45 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1n47 s SER 46 N -2.61 6.80 -0.04 1.67 0.15 -1.26 -4.93 113.70 113.48 1n47 s SER 46 Ca 0.00 1.16 -0.00 0.00 0.70 0.00 0.00 55.95 57.80 1n47 s SER 46 Cb 0.00 -2.32 0.03 0.00 -1.71 0.00 0.00 66.02 62.02 1n47 s SER 46 CO 0.00 -0.05 0.00 -0.22 1.20 0.00 0.00 173.24 174.17 1n47 s LEU 47 N -2.51 0.91 0.06 3.45 0.20 -1.26 -2.47 118.68 117.05 1n47 s LEU 47 Ca 0.46 -0.04 0.03 0.00 0.69 0.00 0.00 54.13 55.27 1n47 s LEU 47 Cb -0.13 -0.29 -0.03 0.00 -0.43 0.00 0.00 46.19 45.31 1n47 s LEU 47 CO 0.19 -0.14 -0.09 -0.83 -0.29 0.00 0.00 176.35 175.20 1n47 s GLY 48 N 1.39 0.63 -0.13 7.98 0.00 -0.71 -1.41 107.32 115.07 1n47 s GLY 48 Ca -0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 1n47 s GLY 48 CO -0.02 -0.95 0.33 0.50 0.00 0.00 0.00 173.10 172.96 1n47 s ARG 49 N -1.90 0.38 -0.05 2.90 0.52 -1.00 -1.30 118.95 118.51 1n47 s ARG 49 Ca -0.05 0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.64 1n47 s ARG 49 Cb -0.08 0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.58 1n47 s ARG 49 CO 0.00 -0.05 -0.04 0.00 0.02 0.00 0.00 175.30 175.23 1n47 s ALA 50 N 0.26 0.68 0.22 2.13 0.00 -0.00 -0.60 121.76 124.45 1n47 s ALA 50 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 51.96 52.00 1n47 s ALA 50 Cb -0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1n47 s ALA 50 CO -0.00 -0.10 -0.21 -0.51 0.00 0.00 0.00 175.76 174.93 1n47 s LEU 51 N 1.10 2.53 0.24 0.00 1.43 -0.56 -1.31 118.68 122.12 1n47 s LEU 51 Ca -0.08 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 51.83 1n47 s LEU 51 Cb -0.14 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.80 1n47 s LEU 51 CO -0.01 0.09 1.02 -0.47 0.23 0.00 0.00 176.35 177.21 1n47 s TYR 52 N -1.94 3.79 0.40 0.29 5.04 -0.47 -0.11 117.35 124.36 1n47 s TYR 52 Ca 0.24 1.80 0.21 0.00 -2.44 0.00 0.00 57.07 56.87 1n47 s TYR 52 Cb -0.07 -3.13 1.15 0.00 0.35 0.00 0.00 41.96 40.26 1n47 s TYR 52 CO 0.12 -0.04 1.99 0.00 -1.34 0.00 0.00 175.55 176.28 1n47 h ALA 53 N 4.21 1.41 -2.98 3.97 0.00 -1.75 -3.42 119.26 120.70 1n47 h ALA 53 Ca -0.45 -0.18 -0.60 0.00 0.00 0.00 0.00 54.91 53.68 1n47 h ALA 53 Cb 1.21 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 1n47 h ALA 53 CO 0.68 0.24 -0.27 0.00 0.00 0.00 0.00 179.25 179.91 1n47 s ALA 54 N -4.30 3.57 0.78 0.00 0.00 -1.26 -5.05 121.76 115.50 1n47 s ALA 54 Ca -0.03 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 1n47 s ALA 54 Cb 0.14 -2.51 0.05 0.00 0.00 0.00 0.00 23.12 20.80 1n47 s ALA 54 CO 0.65 -0.11 1.11 -2.30 0.00 0.00 0.00 175.76 175.11 1n47 n PRO 55 N 4.02 0.31 -4.30 0.00 -0.02 -1.26 -4.80 135.00 128.95 1n47 n PRO 55 Ca -0.10 0.18 -0.23 0.00 -2.02 0.00 0.00 63.50 61.33 1n47 n PRO 55 Cb 0.51 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1n47 n PRO 55 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1n47 s ILE 56 N -2.00 1.54 -0.69 4.25 -5.25 0.25 -4.92 121.20 114.37 1n47 s ILE 56 Ca 0.73 -1.42 -0.20 0.00 -0.99 0.00 0.00 60.65 58.77 1n47 s ILE 56 Cb -0.31 -1.40 0.10 0.00 2.95 0.00 0.00 42.46 43.80 1n47 s ILE 56 CO 0.51 -0.07 0.89 -2.28 -1.79 0.00 0.00 174.94 172.20 1n47 s HIS 57 N -1.13 2.92 -0.89 1.37 5.65 -1.26 -1.79 115.29 120.16 1n47 s HIS 57 Ca 0.04 -0.93 0.22 0.00 0.25 0.00 0.00 55.06 54.65 1n47 s HIS 57 Cb -0.10 -4.17 0.02 0.00 -1.18 0.00 0.00 32.58 27.15 1n47 s HIS 57 CO 0.03 -1.46 1.05 1.51 -0.65 0.00 0.00 174.74 175.22 1n47 n ILE 58 N 5.62 0.03 -3.58 0.89 0.00 -0.19 -4.77 119.36 117.35 1n47 n ILE 58 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 62.75 62.62 1n47 n ILE 58 Cb 0.45 0.61 -0.04 0.00 0.00 0.00 0.00 39.64 40.67 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 -3.05 -0.25 -0.24 9.51 -3.43 -1.19 -1.80 115.29 114.83 1n47 s HIS 59 Ca 0.07 0.34 0.11 0.00 -0.80 0.00 0.00 55.06 54.79 1n47 s HIS 59 Cb 0.16 0.48 0.45 0.00 -1.43 0.00 0.00 32.58 32.25 1n47 s HIS 59 CO 0.81 -0.28 1.33 -0.40 -2.00 0.00 0.00 174.74 174.21 1n47 n ASP 60 N 0.39 2.16 0.00 7.38 5.68 -0.81 -4.36 116.55 127.00 1n47 n ASP 60 Ca -0.06 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.47 1n47 n ASP 60 Cb 0.59 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1n47 n ASP 60 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1n47 n ASN 61 N -1.12 0.00 -0.02 -1.12 3.02 -1.26 -4.53 115.26 110.23 1n47 n ASN 61 Ca 0.25 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.83 1n47 n ASN 61 Cb 0.85 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.93 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 0.17 -5.09 3.41 -2.24 -1.26 -4.99 114.28 104.27 1n47 n THR 62 Ca 0.00 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.20 1n47 n THR 62 Cb 0.00 0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.65 1.75 0.26 4.28 2.01 -1.26 -5.13 115.64 114.90 1n47 s THR 63 Ca -0.04 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 1n47 s THR 63 Cb 0.06 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 1n47 s THR 63 CO 0.45 0.49 0.50 -0.76 -0.69 0.00 0.00 174.62 174.62 1n47 s LEU 64 N -0.47 4.11 0.10 4.42 1.43 -1.26 -1.93 118.68 125.08 1n47 s LEU 64 Ca 0.07 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1n47 s LEU 64 Cb -0.09 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1n47 s LEU 64 CO -0.00 -0.15 0.25 0.00 0.23 0.00 0.00 176.35 176.67 1n47 s ALA 65 N -2.03 3.97 0.15 4.21 0.00 -0.75 -4.62 121.76 122.70 1n47 s ALA 65 Ca 0.42 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 1n47 s ALA 65 Cb -0.11 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 1n47 s ALA 65 CO 0.30 0.73 0.35 -1.12 0.00 0.00 0.00 175.76 176.02 1n47 s SER 66 N -2.70 6.43 0.03 0.00 0.01 0.14 -4.32 113.70 113.28 1n47 s SER 66 Ca 0.36 0.46 -0.20 0.00 1.31 0.00 0.00 55.95 57.87 1n47 s SER 66 Cb -0.12 -2.04 0.04 0.00 0.21 0.00 0.00 66.02 64.11 1n47 s SER 66 CO 0.28 0.03 0.46 0.72 0.41 0.00 0.00 173.24 175.14 1n47 s PHE 67 N -1.72 -0.34 0.03 2.43 -0.12 -0.93 -0.75 117.98 116.58 1n47 s PHE 67 Ca 0.39 0.38 0.03 0.00 -0.05 0.00 0.00 56.93 57.68 1n47 s PHE 67 Cb -0.12 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 1n47 s PHE 67 CO 0.27 -0.58 -0.09 0.99 -0.05 0.00 0.00 175.22 175.76 1n47 s THR 68 N -2.22 0.68 -0.08 -4.49 2.01 -0.64 -0.86 115.64 110.03 1n47 s THR 68 Ca -0.07 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 1n47 s THR 68 Cb -0.01 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.87 1n47 s THR 68 CO -0.00 -0.11 0.26 0.28 -0.69 0.00 0.00 174.62 174.36 1n47 s THR 69 N -0.84 0.02 -0.06 -0.82 -1.32 -0.16 -1.76 115.64 110.70 1n47 s THR 69 Ca -0.03 -0.12 0.03 0.00 -1.21 0.00 0.00 61.69 60.35 1n47 s THR 69 Cb -0.07 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.51 1n47 s THR 69 CO 0.00 -0.07 -0.13 -0.44 -2.21 0.00 0.00 174.62 171.77 1n47 s SER 70 N -0.19 1.82 0.08 8.08 0.01 -0.25 -1.06 113.70 122.19 1n47 s SER 70 Ca -0.03 -0.30 -0.05 0.00 1.31 0.00 0.00 55.95 56.88 1n47 s SER 70 Cb -0.03 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.47 1n47 s SER 70 CO 0.01 0.07 0.09 0.72 0.41 0.00 0.00 173.24 174.54 1n47 s PHE 71 N 0.44 0.39 0.04 2.43 -0.12 -1.00 0.32 117.98 120.47 1n47 s PHE 71 Ca -0.11 -0.86 0.08 0.00 -0.05 0.00 0.00 56.93 55.99 1n47 s PHE 71 Cb -0.14 -0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 41.99 1n47 s PHE 71 CO 0.03 -0.48 -0.22 -1.12 -0.05 0.00 0.00 175.22 173.38 1n47 s SER 72 N -2.91 2.58 0.18 1.98 0.01 -1.05 -1.32 113.70 113.17 1n47 s SER 72 Ca 0.08 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 1n47 s SER 72 Cb 0.06 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 1n47 s SER 72 CO -0.09 0.18 0.16 0.72 0.41 0.00 0.00 173.24 174.63 1n47 s PHE 73 N -0.77 0.89 -0.04 2.43 -0.12 -0.90 -1.19 117.98 118.28 1n47 s PHE 73 Ca 0.08 -1.19 -0.02 0.00 -0.05 0.00 0.00 56.93 55.75 1n47 s PHE 73 Cb -0.09 -0.39 0.02 0.00 -0.63 0.00 0.00 43.02 41.93 1n47 s PHE 73 CO 0.02 -0.65 0.10 0.08 -0.05 0.00 0.00 175.22 174.72 1n47 s VAL 74 N -4.09 -0.03 -0.07 -2.49 1.01 -0.43 -0.43 120.40 113.87 1n47 s VAL 74 Ca 0.30 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1n47 s VAL 74 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 1n47 s VAL 74 CO 0.07 0.05 -0.16 -0.04 0.00 0.00 0.00 175.10 175.02 1n47 s MET 75 N 0.69 2.76 0.21 2.72 -1.94 -1.26 -1.57 119.30 120.91 1n47 s MET 75 Ca -0.05 -0.74 0.12 0.00 -1.71 0.00 0.00 55.69 53.31 1n47 s MET 75 Cb -0.07 -2.41 -0.05 0.00 2.01 0.00 0.00 34.83 34.32 1n47 s MET 75 CO -0.03 0.46 -0.23 0.00 -0.01 0.00 0.00 175.02 175.21 1n47 s ALA 76 N -0.31 2.59 -0.27 3.03 0.00 -1.26 -1.04 121.76 124.51 1n47 s ALA 76 Ca 0.02 -1.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.21 1n47 s ALA 76 Cb -0.13 -0.32 0.13 0.00 0.00 0.00 0.00 23.12 22.80 1n47 s ALA 76 CO 0.03 0.39 0.56 0.00 0.00 0.00 0.00 175.76 176.74 1n47 s ALA 77 N -1.87 -1.77 0.49 0.00 0.00 -1.26 -1.34 121.76 116.00 1n47 s ALA 77 Ca 0.23 1.95 0.33 0.00 0.00 0.00 0.00 51.96 54.46 1n47 s ALA 77 Cb -0.07 -1.71 1.44 0.00 0.00 0.00 0.00 23.12 22.78 1n47 s ALA 77 CO 0.11 -0.97 1.73 -1.35 0.00 0.00 0.00 175.76 175.29 1n47 h PRO 78 N 8.06 0.11 -3.18 0.00 0.11 -1.93 -3.32 132.00 131.85 1n47 h PRO 78 Ca -0.18 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.39 1n47 h PRO 78 Cb 1.11 -0.03 -0.40 0.00 0.11 0.00 0.00 31.00 31.80 1n47 h PRO 78 CO 0.14 0.08 -0.77 0.00 -0.21 0.00 0.00 178.00 177.24 1n47 s ALA 79 N -5.14 0.91 -1.19 -0.75 0.00 -1.26 -5.03 121.76 109.29 1n47 s ALA 79 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1n47 s ALA 79 Cb 0.25 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1n47 s ALA 79 CO 0.82 -1.48 0.73 0.00 0.00 0.00 0.00 175.76 175.82 1n47 n ALA 80 N 5.11 1.02 -0.02 0.00 0.00 -1.25 -2.01 120.51 123.35 1n47 n ALA 80 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.40 1n47 n ALA 80 Cb 0.44 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 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 2.15 -3.43 0.00 0.00 -1.26 -4.75 120.51 112.00 1n47 n ALA 81 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.63 1n47 n ALA 81 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.53 4.47 0.09 0.00 0.00 -0.85 -5.01 121.76 117.92 1n47 s ALA 82 Ca -0.04 -3.74 0.08 0.00 0.00 0.00 0.00 51.96 48.26 1n47 s ALA 82 Cb 0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1n47 s ALA 82 CO 0.41 -2.20 -0.21 0.14 0.00 0.00 0.00 175.76 173.90 1n47 s VAL 83 N -1.02 1.71 -0.16 0.00 -7.23 -1.26 -0.98 120.40 111.47 1n47 s VAL 83 Ca 0.27 -1.44 -0.33 0.00 -1.81 0.00 0.00 61.98 58.67 1n47 s VAL 83 Cb -0.10 -1.53 0.13 0.00 0.56 0.00 0.00 36.38 35.44 1n47 s VAL 83 CO -0.09 0.02 1.13 0.00 -0.31 0.00 0.00 175.10 175.85 1n47 s ALA 84 N -1.05 -2.01 -0.07 1.32 0.00 -1.20 -4.48 121.76 114.28 1n47 s ALA 84 Ca 0.07 1.50 0.07 0.00 0.00 0.00 0.00 51.96 53.60 1n47 s ALA 84 Cb -0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 23.12 22.71 1n47 s ALA 84 CO 0.04 -0.54 0.17 -0.25 0.00 0.00 0.00 175.76 175.17 1n47 n ASP 85 N 0.04 2.80 0.00 0.00 8.00 0.66 -2.96 116.55 125.09 1n47 n ASP 85 Ca -0.03 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1n47 n ASP 85 Cb 0.59 1.24 0.00 0.00 -0.02 0.00 0.00 41.12 42.92 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 1.91 0.91 3.28 0.44 0.00 -1.14 -2.68 105.19 107.91 1n47 n GLY 86 Ca -0.01 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.70 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 2.29 -0.08 0.99 0.05 -1.02 -2.43 118.68 118.47 1n47 s LEU 87 Ca 0.00 -1.14 -0.13 0.00 0.05 0.00 0.00 54.13 52.91 1n47 s LEU 87 Cb 0.00 -0.23 0.03 0.00 -2.05 0.00 0.00 46.19 43.94 1n47 s LEU 87 CO 0.00 -0.47 0.32 0.00 -0.55 0.00 0.00 176.35 175.65 1n47 s ALA 88 N -3.46 -0.81 -0.10 1.48 0.00 0.24 -0.25 121.76 118.87 1n47 s ALA 88 Ca 0.23 0.70 -0.09 0.00 0.00 0.00 0.00 51.96 52.80 1n47 s ALA 88 Cb 0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1n47 s ALA 88 CO 0.04 -0.20 0.19 0.12 0.00 0.00 0.00 175.76 175.92 1n47 s PHE 89 N -0.42 3.62 0.09 0.00 5.36 -0.89 -1.33 117.98 124.40 1n47 s PHE 89 Ca -0.05 0.61 -0.09 0.00 -0.96 0.00 0.00 56.93 56.44 1n47 s PHE 89 Cb -0.04 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 1n47 s PHE 89 CO 0.02 0.70 0.20 -0.59 -1.46 0.00 0.00 175.22 174.10 1n47 s PHE 90 N -0.99 0.13 -0.04 10.12 -0.71 1.00 -1.39 117.98 126.10 1n47 s PHE 90 Ca 0.16 -0.55 0.05 0.00 -1.04 0.00 0.00 56.93 55.56 1n47 s PHE 90 Cb -0.13 -0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.63 1n47 s PHE 90 CO 0.06 -0.55 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.67 1n47 s LEU 91 N -2.84 2.00 0.35 -1.99 1.02 0.20 -2.24 118.68 115.18 1n47 s LEU 91 Ca 0.05 -0.42 -0.16 0.00 0.02 0.00 0.00 54.13 53.62 1n47 s LEU 91 Cb 0.05 -1.14 0.04 0.00 0.02 0.00 0.00 46.19 45.15 1n47 s LEU 91 CO -0.11 0.21 0.74 0.00 0.02 0.00 0.00 176.35 177.22 1n47 s ALA 92 N -0.16 -0.77 0.48 4.21 0.00 -1.13 -1.06 121.76 123.33 1n47 s ALA 92 Ca -0.01 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 51.04 1n47 s ALA 92 Cb -0.12 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 23.70 1n47 s ALA 92 CO 0.02 -0.99 1.30 -2.14 0.00 0.00 0.00 175.76 173.96 1n47 s PRO 93 N -2.83 3.55 0.42 0.00 0.02 -1.25 -1.64 135.00 133.26 1n47 s PRO 93 Ca 0.15 2.12 0.20 0.00 0.02 0.00 0.00 61.00 63.49 1n47 s PRO 93 Cb -0.05 -2.45 1.14 0.00 0.02 0.00 0.00 34.50 33.15 1n47 s PRO 93 CO 0.11 -0.83 1.80 -1.35 -0.33 0.00 0.00 177.00 176.40 1n47 h PRO 94 N 1.98 0.35 -0.54 5.54 0.11 -1.87 -1.40 132.00 136.17 1n47 h PRO 94 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1n47 h PRO 94 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1n47 h PRO 94 CO 0.60 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 178.22 1n47 n ASP 95 N -4.56 1.78 -4.69 -2.05 5.75 -1.26 -4.84 116.55 106.68 1n47 n ASP 95 Ca 0.24 -2.14 -0.43 0.00 -0.01 0.00 0.00 54.79 52.45 1n47 n ASP 95 Cb 0.86 -0.35 -0.01 0.00 -1.03 0.00 0.00 41.12 40.59 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 0.16 1.83 -4.32 2.12 5.66 -0.53 -5.02 114.28 114.17 1n47 n THR 96 Ca 0.08 -0.46 -0.23 0.00 -3.05 0.00 0.00 64.05 60.39 1n47 n THR 96 Cb 0.36 -1.55 -0.12 0.00 -1.55 0.00 0.00 70.33 67.47 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 -1.62 1.23 0.31 1.09 -1.52 -1.26 -5.11 119.66 112.78 1n47 s GLN 97 Ca 0.58 -1.31 -0.30 0.00 -1.95 0.00 0.00 55.36 52.38 1n47 s GLN 97 Cb -0.58 -1.42 -0.12 0.00 -0.22 0.00 0.00 33.01 30.68 1n47 s GLN 97 CO 0.60 0.31 1.58 -2.30 -0.25 0.00 0.00 175.29 175.23 1n47 n PRO 98 N 0.64 2.69 0.00 2.91 -0.02 -1.26 -4.97 135.00 135.00 1n47 n PRO 98 Ca -0.16 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1n47 n PRO 98 Cb 0.55 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 1.87 3.72 -2.40 -0.52 1.13 -0.82 -4.99 117.38 115.37 1n47 n GLN 99 Ca 0.07 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.77 1n47 n GLN 99 Cb 0.37 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.70 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 -3.19 3.00 0.99 -1.58 0.00 -0.99 -4.56 121.76 115.44 1n47 s ALA 100 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1n47 s ALA 100 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1n47 s ALA 100 CO 0.00 -0.44 0.00 2.89 0.00 0.00 0.00 175.76 178.21 1n47 n ARG 101 N -0.39 1.08 0.00 0.00 1.85 -1.26 -0.25 116.66 117.69 1n47 n ARG 101 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1n47 n ARG 101 Cb 0.49 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 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 3.36 0.00 2.89 0.00 -1.26 -2.04 105.19 113.14 1n47 n GLY 102 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.66 0.21 -0.02 0.00 -1.26 -1.78 105.19 101.68 1n47 n GLY 103 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.27 0.00 -0.95 1.61 3.72 -0.87 -4.94 117.46 114.76 1n47 n PHE 104 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1n47 n PHE 104 Cb 0.09 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.77 0.98 -0.61 4.37 4.77 -0.73 -2.01 117.00 122.99 1n47 n LEU 105 Ca 0.11 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 1n47 n LEU 105 Cb 0.34 -2.36 -0.02 0.00 -2.33 0.00 0.00 43.42 39.06 1n47 n LEU 105 CO 0.27 -0.93 -0.07 0.61 -1.33 0.00 0.00 177.39 175.94 1n47 n GLY 106 N 0.62 0.56 0.00 -0.72 0.00 0.65 -4.09 105.19 102.21 1n47 n GLY 106 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.83 0.00 -4.18 0.99 4.77 -0.85 -1.94 117.00 114.96 1n47 n LEU 107 Ca -0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 1n47 n LEU 107 Cb 0.36 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1n47 n LEU 107 CO 0.10 0.00 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.39 1n47 s PHE 108 N -1.74 1.02 -0.13 -1.77 0.08 -1.19 -4.77 117.98 109.48 1n47 s PHE 108 Ca 0.00 -0.74 0.21 0.00 0.12 0.00 0.00 56.93 56.52 1n47 s PHE 108 Cb 0.00 -0.56 -0.18 0.00 -0.57 0.00 0.00 43.02 41.71 1n47 s PHE 108 CO 0.00 -0.04 0.70 0.00 -0.10 0.00 0.00 175.22 175.78 1n47 n ALA 109 N 0.32 2.47 -3.00 5.36 0.00 -1.26 -2.34 120.51 122.06 1n47 n ALA 109 Ca -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1n47 n ALA 109 Cb 0.59 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.54 0.00 -0.99 0.00 3.85 -1.26 -4.82 116.55 110.78 1n47 n ASP 110 Ca -0.06 -0.79 0.12 0.00 -0.71 0.00 0.00 54.79 53.35 1n47 n ASP 110 Cb 0.65 0.00 0.24 0.00 -1.35 0.00 0.00 41.12 40.66 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 0.00 2.31 -3.43 0.11 1.85 -1.26 -4.72 116.66 111.52 1n47 n ARG 111 Ca 0.00 -1.96 -0.34 0.00 -1.00 0.00 0.00 57.85 54.55 1n47 n ARG 111 Cb 0.00 -1.48 -0.06 0.00 -1.05 0.00 0.00 32.46 29.87 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 -1.65 3.61 0.44 2.89 0.00 -1.26 -4.58 121.76 121.21 1n47 s ALA 112 Ca 0.36 -0.23 -0.23 0.00 0.00 0.00 0.00 51.96 51.85 1n47 s ALA 112 Cb 0.21 -2.44 -0.08 0.00 0.00 0.00 0.00 23.12 20.82 1n47 s ALA 112 CO 0.30 0.50 1.15 -1.58 0.00 0.00 0.00 175.76 176.13 1n47 s HIS 113 N -1.56 2.96 -0.30 0.00 2.46 -1.26 -4.80 115.29 112.79 1n47 s HIS 113 Ca 0.40 1.55 -0.11 0.00 0.47 0.00 0.00 55.06 57.37 1n47 s HIS 113 Cb -0.14 -3.35 0.16 0.00 -0.13 0.00 0.00 32.58 29.13 1n47 s HIS 113 CO 0.20 -1.35 0.84 0.34 -2.47 0.00 0.00 174.74 172.29 1n47 s ASP 114 N -1.35 -0.86 0.52 9.88 2.15 -0.95 -5.04 116.67 121.03 1n47 s ASP 114 Ca 0.62 1.00 0.30 0.00 0.43 0.00 0.00 52.55 54.89 1n47 s ASP 114 Cb -0.28 1.90 1.64 0.00 -0.30 0.00 0.00 42.92 45.88 1n47 s ASP 114 CO 0.34 -0.16 1.91 0.00 -0.17 0.00 0.00 175.17 177.09 1n47 h ALA 115 N 7.78 1.11 0.00 3.66 0.00 -1.96 -1.82 119.26 128.03 1n47 h ALA 115 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1n47 h ALA 115 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1n47 h ALA 115 CO 0.09 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 1n47 n SER 116 N -2.65 0.00 -0.10 0.00 3.41 -1.26 -3.06 113.62 109.96 1n47 n SER 116 Ca -0.02 0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.80 1n47 n SER 116 Cb 0.17 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 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 0.87 -6.02 7.33 0.05 -1.67 -3.47 116.97 114.05 1n47 h TYR 117 Ca 0.00 -0.25 -0.40 0.00 0.05 0.00 0.00 58.73 58.13 1n47 h TYR 117 Cb 0.39 -0.19 0.07 0.00 1.01 0.00 0.00 36.73 38.01 1n47 h TYR 117 CO 0.00 0.99 -0.83 1.04 -1.05 0.00 0.00 178.16 178.31 1n47 n GLN 118 N -4.26 -4.85 -4.18 4.88 6.02 -1.17 -4.74 117.38 109.06 1n47 n GLN 118 Ca -0.03 0.65 -0.17 0.00 -0.01 0.00 0.00 57.00 57.44 1n47 n GLN 118 Cb 0.46 -5.23 -0.15 0.00 1.02 0.00 0.00 30.24 26.34 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 -3.62 0.47 -0.08 5.09 2.01 -1.26 -3.87 115.64 114.38 1n47 s THR 119 Ca 0.04 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1n47 s THR 119 Cb -0.01 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1n47 s THR 119 CO 0.80 0.15 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.07 1n47 s VAL 120 N 0.05 1.18 0.02 3.82 1.01 -0.22 -1.69 120.40 124.56 1n47 s VAL 120 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1n47 s VAL 120 Cb -0.04 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1n47 s VAL 120 CO -0.00 0.37 -0.05 0.00 0.00 0.00 0.00 175.10 175.41 1n47 s ALA 121 N 0.81 0.41 -0.30 5.51 0.00 -0.14 -0.63 121.76 127.42 1n47 s ALA 121 Ca -0.12 -0.43 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1n47 s ALA 121 Cb -0.15 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1n47 s ALA 121 CO 0.02 0.02 0.10 0.08 0.00 0.00 0.00 175.76 175.98 1n47 s VAL 122 N -0.69 4.12 -0.04 0.00 1.01 -0.48 0.51 120.40 124.82 1n47 s VAL 122 Ca -0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1n47 s VAL 122 Cb -0.05 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1n47 s VAL 122 CO -0.00 0.07 0.07 -1.83 0.00 0.00 0.00 175.10 173.41 1n47 s GLU 123 N 1.53 3.11 -0.53 2.72 -1.05 0.75 -2.10 118.70 123.12 1n47 s GLU 123 Ca 0.03 -0.41 -0.05 0.00 -0.15 0.00 0.00 54.97 54.39 1n47 s GLU 123 Cb -0.17 -2.90 0.14 0.00 -0.44 0.00 0.00 34.13 30.76 1n47 s GLU 123 CO 0.03 0.68 0.36 -0.06 0.95 0.00 0.00 175.26 177.23 1n47 s PHE 124 N -1.09 3.50 -0.42 4.83 0.40 0.66 -2.04 117.98 123.81 1n47 s PHE 124 Ca 0.19 -2.36 -0.14 0.00 -0.60 0.00 0.00 56.93 54.01 1n47 s PHE 124 Cb -0.12 -3.33 0.03 0.00 0.51 0.00 0.00 43.02 40.12 1n47 s PHE 124 CO 0.09 -0.93 0.31 0.34 0.70 0.00 0.00 175.22 175.73 1n47 s ASP 125 N 1.65 6.06 0.00 1.36 -1.08 0.29 -2.43 116.67 122.52 1n47 s ASP 125 Ca 0.11 -1.03 0.24 0.00 -0.52 0.00 0.00 52.55 51.36 1n47 s ASP 125 Cb -0.22 -2.15 0.44 0.00 -1.46 0.00 0.00 42.92 39.53 1n47 s ASP 125 CO -0.03 -0.49 1.40 0.35 0.52 0.00 0.00 175.17 176.91 1n47 n THR 126 N 5.14 0.12 -3.75 1.71 -2.24 -1.09 -2.17 114.28 112.01 1n47 n THR 126 Ca -0.11 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.02 1n47 n THR 126 Cb 0.46 1.13 -0.15 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.88 -0.07 -0.18 4.78 6.14 -1.26 -4.63 117.35 120.26 1n47 s TYR 127 Ca 0.32 0.33 -0.29 0.00 0.64 0.00 0.00 57.07 58.08 1n47 s TYR 127 Cb 0.21 -0.18 -0.00 0.00 0.42 0.00 0.00 41.96 42.40 1n47 s TYR 127 CO 0.31 -0.14 1.11 -1.12 0.64 0.00 0.00 175.55 176.34 1n47 s SER 128 N 1.25 7.08 0.46 4.32 0.01 -1.26 -5.00 113.70 120.56 1n47 s SER 128 Ca -0.08 1.53 0.06 0.00 1.31 0.00 0.00 55.95 58.77 1n47 s SER 128 Cb -0.12 -2.54 0.06 0.00 0.21 0.00 0.00 66.02 63.63 1n47 s SER 128 CO -0.05 -0.65 0.52 0.59 0.41 0.00 0.00 173.24 174.06 1n47 n ASN 129 N 6.08 1.99 0.27 2.44 4.13 -1.26 -4.93 115.26 123.99 1n47 n ASN 129 Ca 0.12 -2.36 0.10 0.00 1.68 0.00 0.00 54.58 54.12 1n47 n ASN 129 Cb 0.46 -0.22 0.72 0.00 -1.54 0.00 0.00 39.78 39.20 1n47 n ASN 129 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n47 h ALA 130 N 0.39 1.73 -0.02 5.41 0.00 -1.99 -1.10 119.26 123.68 1n47 h ALA 130 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1n47 h ALA 130 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1n47 h ALA 130 CO 0.36 0.05 -0.07 -2.67 0.00 0.00 0.00 179.25 176.92 1n47 n TRP 131 N -4.19 0.00 -3.11 0.00 2.14 -1.26 -4.94 117.44 106.07 1n47 n TRP 131 Ca -0.03 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.34 1n47 n TRP 131 Cb 0.13 -0.02 0.01 0.00 -0.81 0.00 0.00 31.31 30.61 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 -2.12 5.77 0.71 -0.67 -0.00 -0.42 -4.79 116.67 115.17 1n47 s ASP 132 Ca 0.32 -0.02 -0.11 0.00 -0.00 0.00 0.00 52.55 52.74 1n47 s ASP 132 Cb 0.20 -1.21 0.02 0.00 -0.00 0.00 0.00 42.92 41.93 1n47 s ASP 132 CO 0.37 -0.68 1.07 -2.84 -0.00 0.00 0.00 175.17 173.09 1n47 s PRO 133 N -4.42 2.79 -0.02 8.23 0.02 -1.26 -4.78 135.00 135.56 1n47 s PRO 133 Ca 0.49 0.88 -0.01 0.00 0.02 0.00 0.00 61.00 62.39 1n47 s PRO 133 Cb -0.10 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1n47 s PRO 133 CO 0.35 -1.18 2.19 0.27 -0.33 0.00 0.00 177.00 178.30 1n47 n ASN 134 N -3.18 5.42 -3.43 2.53 2.04 -1.26 -4.77 115.26 112.60 1n47 n ASN 134 Ca 0.07 -2.47 -0.13 0.00 -0.44 0.00 0.00 54.58 51.62 1n47 n ASN 134 Cb 0.54 -1.16 -0.02 0.00 -2.53 0.00 0.00 39.78 36.61 1n47 n ASN 134 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1n47 s TYR 135 N -0.02 -0.55 0.21 -2.53 -0.85 -1.26 -5.06 117.35 107.29 1n47 s TYR 135 Ca 0.10 0.41 -0.32 0.00 -0.52 0.00 0.00 57.07 56.74 1n47 s TYR 135 Cb 0.05 0.54 -0.14 0.00 0.38 0.00 0.00 41.96 42.79 1n47 s TYR 135 CO -0.00 -0.82 1.41 2.41 -1.52 0.00 0.00 175.55 177.03 1n47 n THR 136 N -0.24 0.73 -3.98 -3.49 -1.04 -1.26 -4.91 114.28 100.08 1n47 n THR 136 Ca -0.17 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.05 61.56 1n47 n THR 136 Cb 0.64 -1.39 -0.07 0.00 -1.82 0.00 0.00 70.33 67.69 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 0.13 0.45 -0.15 -1.42 -3.43 -0.92 -2.39 115.29 107.55 1n47 s HIS 137 Ca 0.71 -0.80 -0.00 0.00 -0.80 0.00 0.00 55.06 54.17 1n47 s HIS 137 Cb -0.69 -0.05 -0.01 0.00 -1.43 0.00 0.00 32.58 30.40 1n47 s HIS 137 CO 0.48 -0.76 -0.13 0.42 -2.00 0.00 0.00 174.74 172.75 1n47 s ILE 138 N -3.99 2.92 0.12 -5.38 1.01 -0.56 -0.55 121.20 114.78 1n47 s ILE 138 Ca 0.20 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.20 1n47 s ILE 138 Cb 0.03 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1n47 s ILE 138 CO 0.02 0.51 -0.11 -0.83 0.00 0.00 0.00 174.94 174.53 1n47 s GLY 139 N 0.66 0.99 -0.24 6.18 0.00 -0.87 -1.85 107.32 112.19 1n47 s GLY 139 Ca -0.07 -1.32 -0.09 0.00 0.00 0.00 0.00 44.72 43.24 1n47 s GLY 139 CO 0.02 -1.40 0.13 -0.42 0.00 0.00 0.00 173.10 171.43 1n47 s ILE 140 N -2.64 5.01 -0.21 0.90 -1.09 -0.34 -0.18 121.20 122.65 1n47 s ILE 140 Ca 0.10 0.06 -0.04 0.00 -2.23 0.00 0.00 60.65 58.54 1n47 s ILE 140 Cb -0.02 -3.33 -0.01 0.00 -1.58 0.00 0.00 42.46 37.51 1n47 s ILE 140 CO 0.01 0.35 -0.03 -1.81 -1.23 0.00 0.00 174.94 172.23 1n47 s ASP 141 N 1.19 4.48 -0.45 3.58 -0.00 0.18 -1.25 116.67 124.41 1n47 s ASP 141 Ca 0.06 -0.32 0.01 0.00 -0.00 0.00 0.00 52.55 52.30 1n47 s ASP 141 Cb -0.14 -1.77 0.12 0.00 -0.00 0.00 0.00 42.92 41.13 1n47 s ASP 141 CO 0.05 0.01 0.20 -0.89 -0.00 0.00 0.00 175.17 174.55 1n47 s THR 142 N 1.28 2.82 -1.20 -1.27 2.01 -1.26 -0.97 115.64 117.04 1n47 s THR 142 Ca 0.03 -2.63 0.00 0.00 0.31 0.00 0.00 61.69 59.40 1n47 s THR 142 Cb -0.14 -2.96 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1n47 s THR 142 CO -0.01 -0.72 0.00 0.59 -0.69 0.00 0.00 174.62 173.80 1n47 n ASN 143 N 3.91 -4.25 0.00 3.53 3.02 -0.68 -4.90 115.26 115.89 1n47 n ASN 143 Ca 0.03 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 1n47 n ASN 143 Cb 0.39 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.26 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 -1.10 0.81 0.15 7.41 0.00 -1.26 -2.23 105.19 108.97 1n47 n GLY 144 Ca -0.15 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.30 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 0.09 0.98 -2.65 -0.61 6.09 -1.84 -3.41 117.51 116.15 1n47 h ILE 145 Ca 0.00 -2.07 -0.54 0.00 -1.37 0.00 0.00 64.86 60.88 1n47 h ILE 145 Cb 0.00 2.26 -0.06 0.00 0.47 0.00 0.00 36.82 39.50 1n47 h ILE 145 CO 0.00 0.50 1.15 -0.70 -3.07 0.00 0.00 178.15 176.03 1n47 s GLU 146 N -3.21 3.20 0.69 2.19 2.12 -1.26 -4.95 118.70 117.48 1n47 s GLU 146 Ca 0.02 0.50 -0.17 0.00 0.36 0.00 0.00 54.97 55.68 1n47 s GLU 146 Cb 0.09 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.31 1n47 s GLU 146 CO 0.73 -2.06 1.10 0.43 -0.54 0.00 0.00 175.26 174.91 1n47 n SER 147 N 10.09 1.08 -0.07 -1.70 7.64 -1.26 -4.79 113.62 124.61 1n47 n SER 147 Ca 0.14 0.73 0.12 0.00 1.01 0.00 0.00 58.87 60.86 1n47 n SER 147 Cb 0.49 -1.46 0.21 0.00 -1.01 0.00 0.00 64.21 62.44 1n47 n SER 147 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1n47 n LYS 148 N -1.92 0.21 -3.64 1.43 4.81 -0.38 -4.89 118.16 113.78 1n47 n LYS 148 Ca 0.14 -0.13 -0.08 0.00 -0.87 0.00 0.00 58.31 57.37 1n47 n LYS 148 Cb 0.49 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.97 1n47 n LYS 148 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1n47 s LYS 149 N -2.88 0.48 0.07 1.64 2.20 -1.25 -5.01 119.74 114.99 1n47 s LYS 149 Ca 0.13 0.61 -0.04 0.00 -0.36 0.00 0.00 55.97 56.31 1n47 s LYS 149 Cb 0.18 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.69 1n47 s LYS 149 CO 0.69 -0.06 0.07 0.95 -0.36 0.00 0.00 175.35 176.63 1n47 s THR 150 N 0.40 0.18 0.02 3.43 -4.23 -1.26 -1.20 115.64 112.98 1n47 s THR 150 Ca 0.01 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1n47 s THR 150 Cb -0.05 -1.50 -0.02 0.00 1.34 0.00 0.00 72.50 72.27 1n47 s THR 150 CO -0.08 -0.81 -0.01 0.42 -0.54 0.00 0.00 174.62 173.60 1n47 s THR 151 N -3.91 0.11 0.63 3.99 -4.23 -0.77 -5.00 115.64 106.46 1n47 s THR 151 Ca 0.08 -0.93 -0.14 0.00 -1.18 0.00 0.00 61.69 59.52 1n47 s THR 151 Cb 0.07 -0.33 -0.02 0.00 1.34 0.00 0.00 72.50 73.55 1n47 s THR 151 CO -0.09 -0.51 1.06 -2.84 -0.54 0.00 0.00 174.62 171.69 1n47 s PRO 152 N -1.56 3.19 0.18 3.99 0.02 -1.26 -1.49 135.00 138.06 1n47 s PRO 152 Ca -0.15 1.11 -0.20 0.00 0.02 0.00 0.00 61.00 61.78 1n47 s PRO 152 Cb -0.09 -2.02 0.05 0.00 0.02 0.00 0.00 34.50 32.46 1n47 s PRO 152 CO -0.01 -0.91 0.57 -0.59 -0.33 0.00 0.00 177.00 175.73 1n47 s PHE 153 N -2.67 -0.35 -0.17 6.54 -0.71 -1.01 -4.82 117.98 114.79 1n47 s PHE 153 Ca 0.61 0.06 0.01 0.00 -1.04 0.00 0.00 56.93 56.58 1n47 s PHE 153 Cb -0.15 0.50 0.02 0.00 -1.21 0.00 0.00 43.02 42.17 1n47 s PHE 153 CO 0.43 -0.89 -0.19 -0.51 -1.34 0.00 0.00 175.22 172.72 1n47 s ASP 154 N -2.81 3.23 0.78 1.98 1.01 -1.26 -4.51 116.67 115.10 1n47 s ASP 154 Ca 0.04 -0.61 -0.12 0.00 0.71 0.00 0.00 52.55 52.56 1n47 s ASP 154 Cb -0.01 -1.50 0.07 0.00 1.01 0.00 0.00 42.92 42.49 1n47 s ASP 154 CO -0.08 0.02 1.15 -0.04 0.21 0.00 0.00 175.17 176.42 1n47 s MET 155 N 1.19 1.96 -0.36 8.23 -1.94 -1.26 -5.01 119.30 122.11 1n47 s MET 155 Ca 0.02 1.50 0.02 0.00 -1.71 0.00 0.00 55.69 55.52 1n47 s MET 155 Cb -0.14 -1.84 0.11 0.00 2.01 0.00 0.00 34.83 34.97 1n47 s MET 155 CO -0.10 -1.92 0.12 0.08 -0.01 0.00 0.00 175.02 173.19 1n47 s VAL 156 N -2.45 1.61 0.42 -6.03 1.01 -1.26 -5.12 120.40 108.57 1n47 s VAL 156 Ca 0.68 -2.11 -0.26 0.00 0.00 0.00 0.00 61.98 60.29 1n47 s VAL 156 Cb -0.23 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1n47 s VAL 156 CO 0.51 -0.70 1.37 -0.31 0.00 0.00 0.00 175.10 175.97 1n47 s TYR 157 N 0.97 2.66 -0.03 5.22 1.51 -1.26 -2.44 117.35 123.98 1n47 s TYR 157 Ca 0.12 1.33 0.00 0.00 -1.01 0.00 0.00 57.07 57.51 1n47 s TYR 157 Cb -0.20 -3.80 0.00 0.00 -0.11 0.00 0.00 41.96 37.85 1n47 s TYR 157 CO -0.12 -2.50 0.00 0.41 -1.11 0.00 0.00 175.55 172.23 1n47 n GLY 158 N 0.62 0.47 3.07 0.71 0.00 -0.20 -5.01 105.19 104.85 1n47 n GLY 158 Ca 0.04 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.51 1.98 0.25 1.61 2.12 -1.02 -5.05 118.70 118.08 1n47 s GLU 159 Ca 0.00 -0.51 -0.31 0.00 0.36 0.00 0.00 54.97 54.51 1n47 s GLU 159 Cb 0.00 -1.59 -0.11 0.00 0.26 0.00 0.00 34.13 32.69 1n47 s GLU 159 CO 0.00 0.07 1.60 0.21 -0.54 0.00 0.00 175.26 176.60 1n47 s LYS 160 N 0.57 4.15 0.06 4.30 2.20 -1.26 -4.66 119.74 125.11 1n47 s LYS 160 Ca -0.15 2.53 0.06 0.00 -0.36 0.00 0.00 55.97 58.05 1n47 s LYS 160 Cb -0.16 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1n47 s LYS 160 CO 0.05 -0.63 -0.09 0.00 -0.36 0.00 0.00 175.35 174.31 1n47 s ALA 161 N 0.40 2.95 -0.13 3.13 0.00 0.43 -4.45 121.76 124.09 1n47 s ALA 161 Ca 0.66 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 1n47 s ALA 161 Cb -0.47 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1n47 s ALA 161 CO 0.42 0.63 -0.11 -0.80 0.00 0.00 0.00 175.76 175.90 1n47 s ASN 162 N -1.88 4.21 0.01 0.00 0.01 -0.37 -2.11 114.94 114.81 1n47 s ASN 162 Ca 0.20 -0.27 0.06 0.00 -0.71 0.00 0.00 52.86 52.13 1n47 s ASN 162 Cb -0.11 -1.63 -0.02 0.00 0.41 0.00 0.00 41.25 39.90 1n47 s ASN 162 CO 0.11 0.17 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.06 1n47 s ILE 163 N 0.31 1.45 -0.05 0.60 1.01 -0.43 -0.07 121.20 124.02 1n47 s ILE 163 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1n47 s ILE 163 Cb -0.15 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.11 1n47 s ILE 163 CO 0.05 0.31 -0.03 -0.69 0.00 0.00 0.00 174.94 174.58 1n47 s VAL 164 N -0.56 0.45 -0.16 2.92 1.01 -0.78 -2.38 120.40 120.90 1n47 s VAL 164 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1n47 s VAL 164 Cb -0.07 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1n47 s VAL 164 CO 0.00 0.22 -0.15 -0.63 0.00 0.00 0.00 175.10 174.53 1n47 s ILE 165 N 1.07 1.70 0.02 2.22 1.01 -0.22 -1.44 121.20 125.57 1n47 s ILE 165 Ca -0.09 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 59.91 1n47 s ILE 165 Cb -0.14 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1n47 s ILE 165 CO -0.01 0.46 -0.22 0.28 0.00 0.00 0.00 174.94 175.45 1n47 s THR 166 N 1.43 2.46 -0.15 2.92 -1.32 -0.50 -0.99 115.64 119.49 1n47 s THR 166 Ca 0.05 -1.21 0.01 0.00 -1.21 0.00 0.00 61.69 59.33 1n47 s THR 166 Cb -0.13 -1.97 0.02 0.00 -1.51 0.00 0.00 72.50 68.91 1n47 s THR 166 CO -0.11 0.41 -0.16 -0.47 -2.21 0.00 0.00 174.62 172.08 1n47 s TYR 167 N -0.81 2.33 -0.36 9.09 6.14 -0.04 -1.00 117.35 132.70 1n47 s TYR 167 Ca 0.12 -1.30 -0.09 0.00 0.64 0.00 0.00 57.07 56.44 1n47 s TYR 167 Cb -0.10 -1.67 0.03 0.00 0.42 0.00 0.00 41.96 40.64 1n47 s TYR 167 CO 0.03 -0.68 0.17 -1.14 0.64 0.00 0.00 175.55 174.57 1n47 s GLN 168 N 1.35 2.82 0.25 4.97 0.74 -0.91 -2.18 119.66 126.70 1n47 s GLN 168 Ca 0.03 -1.07 -0.03 0.00 0.05 0.00 0.00 55.36 54.34 1n47 s GLN 168 Cb -0.13 -3.63 0.45 0.00 1.10 0.00 0.00 33.01 30.80 1n47 s GLN 168 CO -0.10 -0.66 1.78 0.00 -0.55 0.00 0.00 175.29 175.76 1n47 h ALA 169 N 8.36 1.19 0.00 1.58 0.00 -1.90 0.13 119.26 128.62 1n47 h ALA 169 Ca -0.26 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1n47 h ALA 169 Cb 1.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1n47 h ALA 169 CO 0.64 -0.02 -0.19 0.66 0.00 0.00 0.00 179.25 180.34 1n47 h SER 170 N 0.67 0.00 -0.00 0.00 4.64 -1.94 -3.02 113.55 113.90 1n47 h SER 170 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1n47 h SER 170 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1n47 h SER 170 CO -0.31 0.19 -0.04 0.35 -0.87 0.00 0.00 176.83 176.15 1n47 n THR 171 N -3.46 0.00 -2.40 2.95 -2.24 -1.00 -4.99 114.28 103.14 1n47 n THR 171 Ca -0.00 -0.48 -0.19 0.00 -2.27 0.00 0.00 64.05 61.11 1n47 n THR 171 Cb 0.37 1.08 -0.01 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 -0.03 -1.83 -3.01 -0.78 5.02 0.00 -4.87 118.16 112.66 1n47 n LYS 172 Ca 0.02 0.91 -0.41 0.00 -2.02 0.00 0.00 58.31 56.81 1n47 n LYS 172 Cb 0.11 -5.55 -0.05 0.00 -0.02 0.00 0.00 35.03 29.52 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 -2.92 3.53 -0.20 7.82 0.00 -1.20 -1.13 121.76 127.66 1n47 s ALA 173 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 1n47 s ALA 173 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1n47 s ALA 173 CO 0.00 -0.61 0.10 -1.17 0.00 0.00 0.00 175.76 174.08 1n47 s LEU 174 N 2.04 3.91 -0.00 0.00 0.20 0.16 -2.13 118.68 122.85 1n47 s LEU 174 Ca 0.33 0.08 0.02 0.00 0.69 0.00 0.00 54.13 55.25 1n47 s LEU 174 Cb -0.16 -2.01 -0.00 0.00 -0.43 0.00 0.00 46.19 43.58 1n47 s LEU 174 CO 0.11 0.13 -0.06 0.00 -0.29 0.00 0.00 176.35 176.25 1n47 s ALA 175 N 0.64 0.48 0.01 5.97 0.00 -0.17 -0.52 121.76 128.16 1n47 s ALA 175 Ca 0.05 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.82 1n47 s ALA 175 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1n47 s ALA 175 CO 0.01 0.12 -0.16 0.00 0.00 0.00 0.00 175.76 175.73 1n47 s ALA 176 N -0.12 1.32 0.05 0.00 0.00 -0.22 -1.41 121.76 121.38 1n47 s ALA 176 Ca 0.02 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1n47 s ALA 176 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1n47 s ALA 176 CO -0.00 0.30 -0.11 -1.54 0.00 0.00 0.00 175.76 174.41 1n47 s SER 177 N -0.69 1.24 -0.05 0.00 1.04 -0.52 -1.57 113.70 113.15 1n47 s SER 177 Ca 0.05 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1n47 s SER 177 Cb -0.07 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1n47 s SER 177 CO 0.00 -0.11 -0.03 -0.22 0.98 0.00 0.00 173.24 173.86 1n47 s LEU 178 N -1.51 1.16 -0.02 2.42 2.96 -0.17 -1.86 118.68 121.67 1n47 s LEU 178 Ca -0.05 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1n47 s LEU 178 Cb -0.09 -0.44 -0.01 0.00 0.50 0.00 0.00 46.19 46.15 1n47 s LEU 178 CO 0.01 -0.09 -0.14 0.54 -1.32 0.00 0.00 176.35 175.35 1n47 s VAL 179 N 1.16 1.12 -0.54 1.68 0.11 0.90 -1.47 120.40 123.36 1n47 s VAL 179 Ca -0.07 -0.60 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 1n47 s VAL 179 Cb -0.14 -0.94 0.13 0.00 -1.53 0.00 0.00 36.38 33.90 1n47 s VAL 179 CO -0.01 0.32 0.49 -0.36 -3.33 0.00 0.00 175.10 172.20 1n47 s PHE 180 N -0.25 3.29 0.33 1.54 0.08 0.32 -1.24 117.98 122.06 1n47 s PHE 180 Ca 0.04 -1.40 0.05 0.00 0.12 0.00 0.00 56.93 55.73 1n47 s PHE 180 Cb -0.06 -3.76 0.58 0.00 -0.57 0.00 0.00 43.02 39.21 1n47 s PHE 180 CO -0.00 -1.02 1.84 -1.35 -0.10 0.00 0.00 175.22 174.59 1n47 h PRO 181 N 8.79 0.46 0.23 0.24 0.11 -1.85 0.77 132.00 140.74 1n47 h PRO 181 Ca -0.27 -0.12 -0.34 0.00 0.11 0.00 0.00 66.00 65.37 1n47 h PRO 181 Cb 1.09 -0.06 0.03 0.00 0.11 0.00 0.00 31.00 32.17 1n47 h PRO 181 CO 1.00 0.56 -1.60 0.28 -0.21 0.00 0.00 178.00 178.04 1n47 h VAL 182 N 0.43 1.14 0.00 3.15 2.07 -1.92 -3.26 116.25 117.86 1n47 h VAL 182 Ca 0.08 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1n47 h VAL 182 Cb 0.44 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1n47 h VAL 182 CO 0.02 0.83 -0.15 -1.20 0.02 0.00 0.00 177.57 177.10 1n47 n SER 183 N -3.66 0.27 -2.30 0.57 7.64 -1.12 -4.96 113.62 110.06 1n47 n SER 183 Ca -0.20 0.32 -0.16 0.00 1.01 0.00 0.00 58.87 59.84 1n47 n SER 183 Cb 1.09 -0.34 0.03 0.00 -1.01 0.00 0.00 64.21 63.99 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 -1.65 -3.89 -4.85 1.43 6.02 0.27 -5.03 117.38 109.68 1n47 n GLN 184 Ca 0.06 0.64 -0.31 0.00 -0.01 0.00 0.00 57.00 57.39 1n47 n GLN 184 Cb 0.36 -4.97 -0.14 0.00 1.02 0.00 0.00 30.24 26.51 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 -3.03 2.57 0.03 5.09 -4.23 -1.06 -4.96 115.64 110.04 1n47 s THR 185 Ca 0.25 -1.15 -0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1n47 s THR 185 Cb -0.11 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 1n47 s THR 185 CO 0.31 0.42 -0.03 -0.94 -0.54 0.00 0.00 174.62 173.84 1n47 s SER 186 N -1.16 0.29 0.01 3.99 1.04 -1.26 -0.52 113.70 116.09 1n47 s SER 186 Ca 0.13 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.97 1n47 s SER 186 Cb -0.10 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1n47 s SER 186 CO 0.03 -0.36 -0.04 -0.31 0.98 0.00 0.00 173.24 173.54 1n47 s TYR 187 N -1.94 0.33 -0.00 5.02 1.51 -0.54 -4.99 117.35 116.74 1n47 s TYR 187 Ca -0.11 -0.29 -0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1n47 s TYR 187 Cb -0.06 -0.21 -0.00 0.00 -0.11 0.00 0.00 41.96 41.57 1n47 s TYR 187 CO -0.03 -0.08 0.04 0.00 -1.11 0.00 0.00 175.55 174.37 1n47 s ALA 188 N -0.77 -0.07 0.06 3.71 0.00 -1.26 -1.00 121.76 122.43 1n47 s ALA 188 Ca -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 1n47 s ALA 188 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1n47 s ALA 188 CO -0.00 -0.10 0.08 0.08 0.00 0.00 0.00 175.76 175.81 1n47 s VAL 189 N -0.75 0.17 -0.13 0.00 1.01 -0.61 -5.02 120.40 115.07 1n47 s VAL 189 Ca -0.08 -1.42 -0.15 0.00 0.00 0.00 0.00 61.98 60.33 1n47 s VAL 189 Cb -0.05 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 35.05 1n47 s VAL 189 CO -0.00 -0.78 0.41 -0.55 0.00 0.00 0.00 175.10 174.17 1n47 s SER 190 N -2.73 -0.40 0.07 3.32 0.15 -1.26 -1.06 113.70 111.80 1n47 s SER 190 Ca 0.04 0.70 -0.03 0.00 0.70 0.00 0.00 55.95 57.35 1n47 s SER 190 Cb 0.05 0.74 -0.03 0.00 -1.71 0.00 0.00 66.02 65.07 1n47 s SER 190 CO -0.09 -0.22 0.05 0.00 1.20 0.00 0.00 173.24 174.18 1n47 s ALA 191 N -0.11 0.32 -0.21 5.45 0.00 0.32 -4.98 121.76 122.55 1n47 s ALA 191 Ca -0.03 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.81 1n47 s ALA 191 Cb -0.03 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 1n47 s ALA 191 CO 0.02 -0.43 0.04 0.50 0.00 0.00 0.00 175.76 175.89 1n47 s ARG 192 N -3.92 3.73 -0.17 0.00 3.52 -1.26 0.36 118.95 121.21 1n47 s ARG 192 Ca 0.08 -0.46 -0.13 0.00 -0.13 0.00 0.00 55.73 55.09 1n47 s ARG 192 Cb 0.07 -3.20 0.05 0.00 -1.56 0.00 0.00 34.95 30.31 1n47 s ARG 192 CO -0.09 0.02 0.44 0.54 -0.81 0.00 0.00 175.30 175.40 1n47 s VAL 193 N 1.02 -0.01 -0.67 7.11 0.11 -0.28 -4.98 120.40 122.70 1n47 s VAL 193 Ca 0.03 0.04 -0.16 0.00 -2.93 0.00 0.00 61.98 58.95 1n47 s VAL 193 Cb -0.14 -0.63 0.15 0.00 -1.53 0.00 0.00 36.38 34.23 1n47 s VAL 193 CO 0.02 0.01 0.69 -0.62 -3.33 0.00 0.00 175.10 171.88 1n47 s ASP 194 N 0.73 6.40 0.47 3.54 -1.08 -1.26 -4.73 116.67 120.74 1n47 s ASP 194 Ca -0.04 -1.99 0.26 0.00 -0.52 0.00 0.00 52.55 50.27 1n47 s ASP 194 Cb -0.05 -2.25 1.31 0.00 -1.46 0.00 0.00 42.92 40.47 1n47 s ASP 194 CO -0.05 -0.86 1.81 -0.07 0.52 0.00 0.00 175.17 176.52 1n47 h LEU 195 N 8.98 0.22 -1.81 -1.34 3.38 -1.98 -0.33 115.31 122.43 1n47 h LEU 195 Ca -0.14 0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.08 1n47 h LEU 195 Cb 1.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1n47 h LEU 195 CO 0.98 0.05 0.57 0.03 0.09 0.00 0.00 178.44 180.16 1n47 h ARG 196 N 0.20 0.15 0.00 1.13 3.08 -1.91 0.17 114.38 117.20 1n47 h ARG 196 Ca 0.54 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1n47 h ARG 196 Cb 1.73 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1n47 h ARG 196 CO -0.14 0.10 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.14 1n47 h ASP 197 N 0.16 0.00 0.00 7.04 3.32 -1.47 -3.40 116.42 122.06 1n47 h ASP 197 Ca 0.40 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 57.22 1n47 h ASP 197 Cb 1.35 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.86 1n47 h ASP 197 CO -0.07 0.01 -1.84 -0.38 -1.72 0.00 0.00 179.24 175.24 1n47 n ILE 198 N -2.84 0.85 -4.25 0.35 2.08 0.36 -5.06 119.36 110.85 1n47 n ILE 198 Ca 0.03 -0.34 -0.25 0.00 0.56 0.00 0.00 62.75 62.75 1n47 n ILE 198 Cb 0.52 -1.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.33 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 -5.79 3.24 0.75 1.39 1.43 0.13 -4.59 118.68 115.24 1n47 s LEU 199 Ca -0.19 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 1n47 s LEU 199 Cb 0.05 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1n47 s LEU 199 CO 0.35 0.05 1.08 -2.16 0.23 0.00 0.00 176.35 175.90 1n47 s PRO 200 N -3.25 2.45 0.28 1.29 0.04 -1.26 -4.76 135.00 129.79 1n47 s PRO 200 Ca 0.29 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1n47 s PRO 200 Cb -0.08 -1.93 0.68 0.00 0.04 0.00 0.00 34.50 33.21 1n47 s PRO 200 CO 0.19 -1.45 1.64 0.93 0.04 0.00 0.00 177.00 178.35 1n47 h GLU 201 N -0.98 0.19 -5.31 4.56 5.08 -1.96 -3.40 114.58 112.76 1n47 h GLU 201 Ca -0.45 -0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.25 1n47 h GLU 201 Cb 1.23 -0.04 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 1n47 h GLU 201 CO 0.55 0.12 -0.72 0.71 -1.00 0.00 0.00 179.01 178.68 1n47 s TYR 202 N -5.96 2.91 0.26 4.33 1.51 -1.26 -1.02 117.35 118.12 1n47 s TYR 202 Ca -0.12 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.49 1n47 s TYR 202 Cb 0.25 -1.90 -0.06 0.00 -0.11 0.00 0.00 41.96 40.15 1n47 s TYR 202 CO 0.77 -0.13 0.00 0.14 -1.11 0.00 0.00 175.55 175.22 1n47 s VAL 203 N 0.35 1.18 0.22 0.71 -7.23 -0.74 -4.27 120.40 110.63 1n47 s VAL 203 Ca -0.08 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.12 1n47 s VAL 203 Cb -0.15 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1n47 s VAL 203 CO 0.04 -0.24 0.06 -0.13 -0.31 0.00 0.00 175.10 174.53 1n47 s ARG 204 N -3.85 2.55 0.13 4.82 0.52 -0.65 0.86 118.95 123.33 1n47 s ARG 204 Ca 0.31 -1.16 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 1n47 s ARG 204 Cb 0.06 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 1n47 s ARG 204 CO 0.11 0.42 -0.10 0.14 0.02 0.00 0.00 175.30 175.88 1n47 s VAL 205 N -2.01 1.11 -5.00 3.52 -7.23 -1.26 -2.84 120.40 106.69 1n47 s VAL 205 Ca 0.30 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1n47 s VAL 205 Cb -0.08 -1.67 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1n47 s VAL 205 CO 0.21 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1n47 n GLY 206 N 0.10 -0.37 3.38 2.32 0.00 -0.95 -1.37 105.19 108.30 1n47 n GLY 206 Ca -0.12 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.48 2.18 0.01 1.61 0.40 -0.43 -0.00 117.98 118.28 1n47 s PHE 207 Ca 0.00 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1n47 s PHE 207 Cb 0.00 -1.14 -0.01 0.00 0.51 0.00 0.00 43.02 42.39 1n47 s PHE 207 CO 0.00 0.38 -0.04 0.45 0.70 0.00 0.00 175.22 176.71 1n47 s SER 208 N -2.33 0.39 0.05 1.36 0.15 -0.44 -0.82 113.70 112.07 1n47 s SER 208 Ca 0.16 -0.20 -0.15 0.00 0.70 0.00 0.00 55.95 56.46 1n47 s SER 208 Cb -0.09 -0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 1n47 s SER 208 CO 0.07 -0.06 0.34 0.00 1.20 0.00 0.00 173.24 174.79 1n47 s ALA 209 N -0.49 -0.77 -0.00 5.45 0.00 -0.42 -0.59 121.76 124.94 1n47 s ALA 209 Ca -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 1n47 s ALA 209 Cb -0.04 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.46 1n47 s ALA 209 CO -0.00 -0.46 0.09 0.95 0.00 0.00 0.00 175.76 176.34 1n47 s THR 210 N -2.74 0.07 0.21 0.00 -4.23 -1.02 -1.74 115.64 106.19 1n47 s THR 210 Ca -0.04 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1n47 s THR 210 Cb -0.00 -0.33 -0.03 0.00 1.34 0.00 0.00 72.50 73.47 1n47 s THR 210 CO -0.04 -0.33 0.24 0.42 -0.54 0.00 0.00 174.62 174.37 1n47 s THR 211 N -1.10 4.82 0.85 3.99 -4.23 -1.03 -0.24 115.64 118.70 1n47 s THR 211 Ca -0.12 -1.10 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 1n47 s THR 211 Cb -0.07 -3.55 0.11 0.00 1.34 0.00 0.00 72.50 70.33 1n47 s THR 211 CO 0.01 -0.24 1.16 -0.83 -0.54 0.00 0.00 174.62 174.17 1n47 s GLY 212 N -3.60 1.85 0.00 3.99 0.00 -1.16 -3.79 107.32 104.61 1n47 s GLY 212 Ca 0.33 0.63 0.29 0.00 0.00 0.00 0.00 44.72 45.97 1n47 s GLY 212 CO 0.26 1.04 1.92 1.04 0.00 0.00 0.00 173.10 177.37 1n47 n LEU 213 N -3.80 0.01 -4.37 0.66 4.77 -1.26 -1.13 117.00 111.87 1n47 n LEU 213 Ca 0.12 0.49 -0.32 0.00 -0.03 0.00 0.00 56.01 56.27 1n47 n LEU 213 Cb 0.52 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.97 1n47 n LEU 213 CO 0.49 0.00 -0.50 0.20 -1.33 0.00 0.00 177.39 176.26 1n47 s ASN 214 N -2.99 3.62 0.19 -1.43 -0.87 -1.26 -4.71 114.94 107.49 1n47 s ASN 214 Ca 0.14 -0.35 -0.31 0.00 -1.57 0.00 0.00 52.86 50.77 1n47 s ASN 214 Cb 0.19 -0.95 -0.16 0.00 -0.02 0.00 0.00 41.25 40.31 1n47 s ASN 214 CO 0.53 0.27 0.93 0.00 -2.57 0.00 0.00 177.10 176.27 1n47 n ALA 215 N 2.77 -1.52 -1.04 0.60 0.00 -1.26 -2.30 120.51 117.75 1n47 n ALA 215 Ca -0.17 0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.70 1n47 n ALA 215 Cb 0.52 -1.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 1n47 n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n47 n GLY 216 N 1.75 0.52 2.36 0.00 0.00 -1.26 -4.97 105.19 103.59 1n47 n GLY 216 Ca 0.15 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.92 0.99 -3.63 1.61 0.31 -0.97 -4.71 118.33 109.00 1n47 n VAL 217 Ca -0.02 -4.66 -0.10 0.00 -0.01 0.00 0.00 64.34 59.55 1n47 n VAL 217 Cb 0.07 -2.03 -0.04 0.00 -0.91 0.00 0.00 33.84 30.93 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 -1.82 0.05 0.08 2.52 0.11 -0.15 -3.12 120.40 118.07 1n47 s VAL 218 Ca 0.37 -0.55 -0.20 0.00 -2.93 0.00 0.00 61.98 58.67 1n47 s VAL 218 Cb 0.14 -1.26 0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1n47 s VAL 218 CO -0.07 -0.21 0.48 -1.83 -3.33 0.00 0.00 175.10 170.14 1n47 s GLU 219 N -3.82 1.06 0.68 1.54 -1.05 -1.23 -4.60 118.70 111.28 1n47 s GLU 219 Ca 0.04 -0.42 -0.11 0.00 -0.15 0.00 0.00 54.97 54.34 1n47 s GLU 219 Cb 0.01 0.48 0.01 0.00 -0.44 0.00 0.00 34.13 34.18 1n47 s GLU 219 CO -0.10 -0.40 1.06 0.95 0.95 0.00 0.00 175.26 177.73 1n47 s THR 220 N -2.99 3.61 -0.43 1.83 -4.23 -0.45 -4.84 115.64 108.14 1n47 s THR 220 Ca -0.02 0.44 0.07 0.00 -1.18 0.00 0.00 61.69 60.99 1n47 s THR 220 Cb -0.00 -3.51 0.22 0.00 1.34 0.00 0.00 72.50 70.56 1n47 s THR 220 CO -0.06 -0.65 0.48 1.41 -0.54 0.00 0.00 174.62 175.26 1n47 n HIS 221 N -2.92 -0.10 -3.43 3.99 -0.00 -1.26 -4.00 115.22 107.50 1n47 n HIS 221 Ca 0.06 -3.56 -0.38 0.00 -0.00 0.00 0.00 57.72 53.85 1n47 n HIS 221 Cb 0.57 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.99 30.31 1n47 n HIS 221 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1n47 s ASP 222 N -0.91 6.85 -0.18 0.41 1.01 -0.61 -2.26 116.67 120.97 1n47 s ASP 222 Ca 0.34 1.00 -0.03 0.00 0.71 0.00 0.00 52.55 54.58 1n47 s ASP 222 Cb 0.12 -2.28 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1n47 s ASP 222 CO -0.13 0.27 -0.06 -0.63 0.21 0.00 0.00 175.17 174.83 1n47 s ILE 223 N -0.86 3.41 -0.21 0.77 -1.09 -0.26 -1.32 121.20 121.64 1n47 s ILE 223 Ca 0.25 -0.50 0.11 0.00 -2.23 0.00 0.00 60.65 58.28 1n47 s ILE 223 Cb -0.17 -2.51 -0.22 0.00 -1.58 0.00 0.00 42.46 37.98 1n47 s ILE 223 CO 0.14 0.46 0.01 0.52 -1.23 0.00 0.00 174.94 174.85 1n47 n VAL 224 N 4.22 1.45 -3.79 2.92 0.31 -0.33 -1.81 118.33 121.29 1n47 n VAL 224 Ca -0.18 -0.75 -0.09 0.00 -0.01 0.00 0.00 64.34 63.31 1n47 n VAL 224 Cb 0.52 -0.88 -0.04 0.00 -0.91 0.00 0.00 33.84 32.53 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 -5.95 -0.24 -0.28 4.52 1.04 -1.24 -4.27 113.70 107.27 1n47 s SER 225 Ca -0.19 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.46 1n47 s SER 225 Cb 0.07 0.61 0.12 0.00 0.10 0.00 0.00 66.02 66.93 1n47 s SER 225 CO 0.75 -1.12 0.97 0.86 0.98 0.00 0.00 173.24 175.67 1n47 s TRP 226 N -3.90 -0.57 0.04 5.02 -0.00 -0.74 -2.53 118.94 116.27 1n47 s TRP 226 Ca 0.11 1.28 -0.07 0.00 -0.00 0.00 0.00 56.10 57.42 1n47 s TRP 226 Cb -0.02 0.37 -0.01 0.00 -0.00 0.00 0.00 33.47 33.82 1n47 s TRP 226 CO 0.01 -0.28 0.13 -1.54 -0.00 0.00 0.00 176.95 175.27 1n47 s SER 227 N 0.70 0.14 0.00 5.86 1.04 0.15 -0.42 113.70 121.17 1n47 s SER 227 Ca -0.02 -0.50 -0.13 0.00 0.48 0.00 0.00 55.95 55.78 1n47 s SER 227 Cb -0.05 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1n47 s SER 227 CO -0.10 -0.54 0.27 0.12 0.98 0.00 0.00 173.24 173.97 1n47 s PHE 228 N -2.73 -0.11 -0.25 5.02 5.36 -0.03 -1.09 117.98 124.14 1n47 s PHE 228 Ca -0.04 0.11 -0.14 0.00 -0.96 0.00 0.00 56.93 55.90 1n47 s PHE 228 Cb -0.00 0.06 0.08 0.00 -0.34 0.00 0.00 43.02 42.81 1n47 s PHE 228 CO -0.05 -0.39 0.62 0.00 -1.46 0.00 0.00 175.22 173.95 1n47 s ALA 229 N -1.58 -1.69 0.13 11.12 0.00 -0.72 -1.98 121.76 127.04 1n47 s ALA 229 Ca -0.12 2.21 0.08 0.00 0.00 0.00 0.00 51.96 54.13 1n47 s ALA 229 Cb -0.05 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1n47 s ALA 229 CO 0.02 -0.38 -0.19 0.14 0.00 0.00 0.00 175.76 175.35 1n47 s VAL 230 N 1.65 1.69 -0.12 0.00 -7.23 -0.20 -1.62 120.40 114.58 1n47 s VAL 230 Ca -0.10 -1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 58.35 1n47 s VAL 230 Cb -0.06 -1.64 0.06 0.00 0.56 0.00 0.00 36.38 35.30 1n47 s VAL 230 CO -0.18 -0.19 0.17 -0.44 -0.31 0.00 0.00 175.10 174.15 1n47 s SER 231 N -2.23 0.95 -0.63 4.85 0.01 0.07 -2.41 113.70 114.32 1n47 s SER 231 Ca 0.10 0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.52 1n47 s SER 231 Cb -0.08 0.29 0.16 0.00 0.21 0.00 0.00 66.02 66.60 1n47 s SER 231 CO 0.05 -0.27 0.44 -0.22 0.41 0.00 0.00 173.24 173.65 1n47 s LEU 232 N 2.30 5.08 0.00 2.44 2.96 -0.01 -0.68 118.68 130.77 1n47 s LEU 232 Ca 0.04 -2.98 0.28 0.00 -0.22 0.00 0.00 54.13 51.25 1n47 s LEU 232 Cb -0.13 -1.82 1.12 0.00 0.50 0.00 0.00 46.19 45.87 1n47 s LEU 232 CO -0.07 -0.32 1.79 0.00 -1.32 0.00 0.00 176.35 176.42