#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 0.15 -2.82 -1.05 -1.06 -5.00 118.70 109.57 1n47 s GLU 2 Ca 0.00 0.05 0.05 0.00 -0.15 0.00 0.00 54.97 54.92 1n47 s GLU 2 Cb 0.00 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 1n47 s GLU 2 CO 0.00 -0.17 -0.11 -1.12 0.95 0.00 0.00 175.26 174.82 1n47 s SER 3 N -0.91 1.88 -0.16 0.83 0.01 -1.26 -1.98 113.70 112.11 1n47 s SER 3 Ca -0.10 -0.99 -0.07 0.00 1.31 0.00 0.00 55.95 56.10 1n47 s SER 3 Cb -0.04 -0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.23 1n47 s SER 3 CO 0.04 -0.30 0.36 -0.89 0.41 0.00 0.00 173.24 172.86 1n47 s THR 4 N -3.17 -0.27 0.06 1.44 2.01 -1.13 -4.98 115.64 109.60 1n47 s THR 4 Ca 0.16 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 1n47 s THR 4 Cb 0.01 -0.55 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 1n47 s THR 4 CO 0.01 0.07 0.17 -0.94 -0.69 0.00 0.00 174.62 173.24 1n47 s SER 5 N 1.89 0.11 -0.00 3.53 1.04 -1.26 -1.00 113.70 118.01 1n47 s SER 5 Ca -0.05 -0.54 -0.28 0.00 0.48 0.00 0.00 55.95 55.55 1n47 s SER 5 Cb -0.10 0.30 0.10 0.00 0.10 0.00 0.00 66.02 66.42 1n47 s SER 5 CO -0.11 -0.63 0.86 0.72 0.98 0.00 0.00 173.24 175.05 1n47 s PHE 6 N -3.23 -0.38 -0.21 5.02 -0.71 -0.71 -5.02 117.98 112.74 1n47 s PHE 6 Ca 0.00 0.31 -0.24 0.00 -1.04 0.00 0.00 56.93 55.96 1n47 s PHE 6 Cb 0.02 0.53 0.06 0.00 -1.21 0.00 0.00 43.02 42.42 1n47 s PHE 6 CO -0.08 -0.56 0.65 -1.54 -1.34 0.00 0.00 175.22 172.35 1n47 s SER 7 N -2.32 -0.66 -0.11 1.98 1.04 -1.26 -1.18 113.70 111.18 1n47 s SER 7 Ca 0.03 1.19 0.01 0.00 0.48 0.00 0.00 55.95 57.66 1n47 s SER 7 Cb -0.01 1.19 0.02 0.00 0.10 0.00 0.00 66.02 67.32 1n47 s SER 7 CO -0.08 -0.29 -0.13 -0.36 0.98 0.00 0.00 173.24 173.36 1n47 s PHE 8 N 0.07 1.88 -0.19 5.02 0.08 0.12 -4.97 117.98 119.99 1n47 s PHE 8 Ca -0.02 -0.92 0.18 0.00 0.12 0.00 0.00 56.93 56.29 1n47 s PHE 8 Cb -0.04 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.00 1n47 s PHE 8 CO 0.02 -0.51 1.09 1.15 -0.10 0.00 0.00 175.22 176.87 1n47 h THR 9 N 6.02 0.40 -3.16 0.64 2.02 -1.87 -1.54 112.91 115.43 1n47 h THR 9 Ca -0.33 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.14 1n47 h THR 9 Cb 1.16 1.98 -0.11 0.00 -1.74 0.00 0.00 68.15 69.44 1n47 h THR 9 CO 0.48 0.23 0.11 0.54 0.37 0.00 0.00 175.52 177.25 1n47 s ASN 10 N -5.86 -0.39 0.45 4.18 4.22 -1.26 -4.62 114.94 111.65 1n47 s ASN 10 Ca 0.00 -0.25 0.07 0.00 -2.14 0.00 0.00 52.86 50.54 1n47 s ASN 10 Cb 0.08 0.58 -0.01 0.00 1.28 0.00 0.00 41.25 43.18 1n47 s ASN 10 CO 0.78 -1.01 0.33 -0.36 -2.04 0.00 0.00 177.10 174.80 1n47 s PHE 11 N -3.81 2.39 0.10 1.54 0.08 -1.12 -5.06 117.98 112.10 1n47 s PHE 11 Ca 0.05 -0.61 0.07 0.00 0.12 0.00 0.00 56.93 56.56 1n47 s PHE 11 Cb -0.01 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1n47 s PHE 11 CO -0.08 -0.14 -0.18 -0.80 -0.10 0.00 0.00 175.22 173.92 1n47 s ASN 12 N -4.11 2.29 0.54 1.36 0.01 -1.26 -4.43 114.94 109.32 1n47 s ASN 12 Ca 0.43 -0.70 0.20 0.00 -0.71 0.00 0.00 52.86 52.07 1n47 s ASN 12 Cb -0.01 -0.11 1.41 0.00 0.41 0.00 0.00 41.25 42.94 1n47 s ASN 12 CO 0.25 -0.01 2.17 -0.65 -1.51 0.00 0.00 177.10 177.35 1n47 h PRO 13 N 3.98 0.00 -1.55 -0.60 0.11 -1.81 -2.50 132.00 129.63 1n47 h PRO 13 Ca -0.44 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.99 1n47 h PRO 13 Cb 1.19 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.97 1n47 h PRO 13 CO 0.42 0.01 0.41 0.27 -0.21 0.00 0.00 178.00 178.90 1n47 n ASN 14 N -4.34 6.63 -4.57 -2.05 6.94 -1.26 -4.79 115.26 111.83 1n47 n ASN 14 Ca -0.03 -3.79 -0.28 0.00 -0.02 0.00 0.00 54.58 50.46 1n47 n ASN 14 Cb 0.10 -0.83 -0.05 0.00 -2.36 0.00 0.00 39.78 36.63 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 -3.85 2.58 0.47 -3.83 2.00 -0.94 -4.76 119.66 111.31 1n47 s GLN 15 Ca 0.54 -0.59 0.32 0.00 -2.00 0.00 0.00 55.36 53.62 1n47 s GLN 15 Cb 0.44 -5.13 1.53 0.00 0.80 0.00 0.00 33.01 30.65 1n47 s GLN 15 CO -0.23 -3.52 1.96 -0.91 -0.50 0.00 0.00 175.29 172.08 1n47 h ASN 16 N 10.75 0.00 -0.09 6.67 -0.26 -1.92 -1.97 115.58 128.75 1n47 h ASN 16 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1n47 h ASN 16 Cb 0.98 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.24 1n47 h ASN 16 CO 1.22 0.00 0.00 -0.46 -1.06 0.00 0.00 177.43 177.13 1n47 n ASN 17 N -2.71 1.54 -4.53 5.81 6.94 -1.26 -4.82 115.26 116.23 1n47 n ASN 17 Ca -0.00 -1.60 -0.30 0.00 -0.02 0.00 0.00 54.58 52.66 1n47 n ASN 17 Cb 0.17 -0.05 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.77 2.86 -0.31 -4.53 1.43 -0.74 -1.29 118.68 114.33 1n47 s LEU 18 Ca 0.35 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1n47 s LEU 18 Cb 0.19 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1n47 s LEU 18 CO 0.30 0.20 0.11 -0.63 0.23 0.00 0.00 176.35 176.55 1n47 s ILE 19 N -1.12 4.14 -0.19 -0.59 1.01 0.48 -4.84 121.20 120.08 1n47 s ILE 19 Ca 0.19 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1n47 s ILE 19 Cb -0.11 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1n47 s ILE 19 CO 0.11 0.02 0.22 -0.76 0.00 0.00 0.00 174.94 174.53 1n47 s LEU 20 N 1.52 4.21 0.07 2.97 1.02 -1.26 -0.55 118.68 126.66 1n47 s LEU 20 Ca 0.03 0.36 0.09 0.00 0.02 0.00 0.00 54.13 54.63 1n47 s LEU 20 Cb -0.18 -2.25 -0.03 0.00 0.02 0.00 0.00 46.19 43.76 1n47 s LEU 20 CO 0.04 0.12 -0.26 -1.10 0.02 0.00 0.00 176.35 175.17 1n47 s GLN 21 N 0.52 1.61 5.88 1.70 -0.21 0.17 -4.98 119.66 124.35 1n47 s GLN 21 Ca 0.12 -1.15 0.00 0.00 0.02 0.00 0.00 55.36 54.35 1n47 s GLN 21 Cb -0.12 -1.86 0.00 0.00 1.00 0.00 0.00 33.01 32.02 1n47 s GLN 21 CO 0.02 0.47 0.00 0.39 -2.12 0.00 0.00 175.29 174.05 1n47 n GLU 22 N 1.53 0.00 0.23 2.91 -0.58 -1.26 -2.42 120.64 121.05 1n47 n GLU 22 Ca -0.17 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.70 1n47 n GLU 22 Cb 0.52 0.00 0.31 0.00 -0.57 0.00 0.00 31.44 31.70 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 -1.68 1.62 3.45 -1.49 -3.48 116.42 114.85 1n47 h ASP 23 Ca 0.00 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.78 1n47 h ASP 23 Cb 0.00 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 38.84 1n47 h ASP 23 CO 0.00 0.00 0.27 0.00 -1.57 0.00 0.00 179.24 177.94 1n47 n ALA 24 N -2.08 -1.32 -3.31 3.45 0.00 -1.14 -4.71 120.51 111.41 1n47 n ALA 24 Ca 0.03 0.50 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 1n47 n ALA 24 Cb 0.47 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 0.62 -0.01 -0.11 0.00 0.20 -1.17 -4.74 118.68 113.46 1n47 s LEU 25 Ca 0.79 -0.38 0.02 0.00 0.69 0.00 0.00 54.13 55.26 1n47 s LEU 25 Cb -0.95 2.21 -0.01 0.00 -0.43 0.00 0.00 46.19 47.02 1n47 s LEU 25 CO 0.51 -1.02 -0.20 -0.69 -0.29 0.00 0.00 176.35 174.66 1n47 s VAL 26 N -3.84 2.47 1.24 1.68 1.01 -1.26 -0.92 120.40 120.76 1n47 s VAL 26 Ca 0.07 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 1n47 s VAL 26 Cb -0.01 -1.98 0.28 0.00 0.00 0.00 0.00 36.38 34.67 1n47 s VAL 26 CO -0.06 0.55 0.75 0.59 0.00 0.00 0.00 175.10 176.93 1n47 n ASN 27 N 3.50 -2.53 -0.01 3.32 3.02 0.28 -4.60 115.26 118.23 1n47 n ASN 27 Ca -0.19 -0.35 0.14 0.00 -0.03 0.00 0.00 54.58 54.16 1n47 n ASN 27 Cb 0.53 -1.11 0.62 0.00 -0.61 0.00 0.00 39.78 39.20 1n47 n ASN 27 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n47 n SER 28 N -4.36 0.11 -0.65 6.41 3.41 -1.26 -3.12 113.62 114.16 1n47 n SER 28 Ca 0.04 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.88 1n47 n SER 28 Cb 0.56 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.38 3.19 -0.47 7.33 0.00 -1.26 -4.96 120.51 122.96 1n47 n ALA 29 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1n47 n ALA 29 Cb 0.31 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.40 1.04 3.57 0.00 0.00 -1.18 -4.96 105.19 105.05 1n47 n GLY 30 Ca 0.11 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 3.72 -0.66 2.61 2.01 -1.26 -2.78 115.64 117.28 1n47 s THR 31 Ca 0.00 -0.47 -0.22 0.00 0.31 0.00 0.00 61.69 61.31 1n47 s THR 31 Cb 0.00 -2.53 0.07 0.00 0.01 0.00 0.00 72.50 70.05 1n47 s THR 31 CO 0.00 0.58 0.95 -0.22 -0.69 0.00 0.00 174.62 175.24 1n47 s LEU 32 N -0.63 4.46 -1.02 4.42 2.96 -0.66 -0.55 118.68 127.66 1n47 s LEU 32 Ca 0.10 -1.03 -0.23 0.00 -0.22 0.00 0.00 54.13 52.74 1n47 s LEU 32 Cb -0.12 -2.41 0.05 0.00 0.50 0.00 0.00 46.19 44.22 1n47 s LEU 32 CO 0.02 -1.42 1.44 -1.61 -1.32 0.00 0.00 176.35 173.47 1n47 s GLU 33 N 3.95 3.59 0.19 1.98 2.02 -0.10 -0.83 118.70 129.50 1n47 s GLU 33 Ca 0.21 -1.14 -0.12 0.00 0.02 0.00 0.00 54.97 53.94 1n47 s GLU 33 Cb -0.17 -5.35 0.21 0.00 0.10 0.00 0.00 34.13 28.91 1n47 s GLU 33 CO 0.10 -2.20 1.72 -0.07 0.02 0.00 0.00 175.26 174.83 1n47 h LEU 34 N 12.74 0.03 -9.54 1.80 3.38 -1.65 -3.11 115.31 118.97 1n47 h LEU 34 Ca 0.20 0.09 -0.62 0.00 0.09 0.00 0.00 57.88 57.64 1n47 h LEU 34 Cb 1.01 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.77 1n47 h LEU 34 CO 1.42 0.04 -0.64 0.42 0.09 0.00 0.00 178.44 179.77 1n47 s THR 35 N -6.13 4.01 0.35 0.22 -4.23 -1.26 -3.17 115.64 105.43 1n47 s THR 35 Ca -0.13 -1.15 -0.29 0.00 -1.18 0.00 0.00 61.69 58.94 1n47 s THR 35 Cb 0.16 -2.97 -0.11 0.00 1.34 0.00 0.00 72.50 70.91 1n47 s THR 35 CO 0.73 -0.00 1.48 0.00 -0.54 0.00 0.00 174.62 176.29 1n47 n ALA 36 N 0.16 2.24 -3.75 3.99 0.00 -1.26 -4.72 120.51 117.17 1n47 n ALA 36 Ca -0.10 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 1n47 n ALA 36 Cb 0.53 -2.40 -0.15 0.00 0.00 0.00 0.00 19.45 17.43 1n47 n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n47 s VAL 37 N -0.85 0.87 0.00 0.00 1.01 -1.26 -1.46 120.40 118.71 1n47 s VAL 37 Ca 0.56 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1n47 s VAL 37 Cb -0.50 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1n47 s VAL 37 CO 0.60 -0.57 0.01 0.00 0.00 0.00 0.00 175.10 175.13 1n47 n ALA 38 N 4.87 0.00 -0.14 5.51 0.00 -0.55 -4.73 120.51 125.47 1n47 n ALA 38 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1n47 n ALA 38 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.53 -0.17 -1.90 0.00 0.00 -1.26 -4.74 120.51 111.91 1n47 n ALA 39 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1n47 n ALA 39 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.89 0.50 3.23 0.00 0.00 -1.26 -5.11 105.19 103.44 1n47 n GLY 40 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 1.52 0.75 4.61 0.00 -1.26 -5.06 121.76 122.32 1n47 s ALA 41 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 1n47 s ALA 41 Cb 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.97 1n47 s ALA 41 CO 0.00 0.29 1.16 -2.14 0.00 0.00 0.00 175.76 175.07 1n47 s PRO 42 N -1.65 2.12 -0.06 0.00 0.02 -1.26 -1.48 135.00 132.70 1n47 s PRO 42 Ca 0.03 1.56 0.02 0.00 0.02 0.00 0.00 61.00 62.63 1n47 s PRO 42 Cb -0.10 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 1n47 s PRO 42 CO 0.03 -1.80 -0.12 0.08 -0.33 0.00 0.00 177.00 174.86 1n47 s VAL 43 N -2.30 3.27 0.82 3.83 1.01 -0.53 -4.78 120.40 121.72 1n47 s VAL 43 Ca 0.70 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1n47 s VAL 43 Cb -0.24 -2.31 0.08 0.00 0.00 0.00 0.00 36.38 33.91 1n47 s VAL 43 CO 0.48 0.59 1.09 -2.84 0.00 0.00 0.00 175.10 174.41 1n47 s PRO 44 N -0.66 1.91 -1.14 2.72 0.02 -1.26 -3.91 135.00 132.68 1n47 s PRO 44 Ca 0.10 0.89 0.00 0.00 0.02 0.00 0.00 61.00 62.00 1n47 s PRO 44 Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.53 1n47 s PRO 44 CO 0.01 -1.81 0.00 -0.25 -0.33 0.00 0.00 177.00 174.63 1n47 n ASP 45 N -3.60 -4.86 -4.87 2.53 8.00 -0.48 -4.97 116.55 108.30 1n47 n ASP 45 Ca 0.08 0.27 -0.35 0.00 0.71 0.00 0.00 54.79 55.49 1n47 n ASP 45 Cb 0.55 -3.31 -0.05 0.00 -0.02 0.00 0.00 41.12 38.29 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 -2.62 6.60 -0.04 -2.24 0.15 -1.25 -4.94 113.70 109.36 1n47 s SER 46 Ca 0.00 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1n47 s SER 46 Cb 0.00 -2.15 0.02 0.00 -1.71 0.00 0.00 66.02 62.19 1n47 s SER 46 CO 0.00 0.23 -0.02 -0.22 1.20 0.00 0.00 173.24 174.43 1n47 s LEU 47 N -1.73 1.11 -0.01 3.45 0.20 -1.26 -1.95 118.68 118.49 1n47 s LEU 47 Ca 0.29 -0.07 -0.01 0.00 0.69 0.00 0.00 54.13 55.03 1n47 s LEU 47 Cb -0.14 -0.35 0.00 0.00 -0.43 0.00 0.00 46.19 45.28 1n47 s LEU 47 CO 0.16 -0.10 0.02 -0.83 -0.29 0.00 0.00 176.35 175.31 1n47 s GLY 48 N 1.17 -0.01 0.05 7.98 0.00 -0.82 -1.32 107.32 114.36 1n47 s GLY 48 Ca -0.07 0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.70 1n47 s GLY 48 CO -0.02 0.04 -0.05 0.50 0.00 0.00 0.00 173.10 173.58 1n47 s ARG 49 N 0.00 0.54 -0.16 2.90 0.52 -1.01 -1.66 118.95 120.08 1n47 s ARG 49 Ca -0.00 -0.93 -0.07 0.00 -0.52 0.00 0.00 55.73 54.21 1n47 s ARG 49 Cb -0.00 -0.02 0.07 0.00 0.52 0.00 0.00 34.95 35.51 1n47 s ARG 49 CO 0.00 -0.03 0.36 0.00 0.02 0.00 0.00 175.30 175.65 1n47 s ALA 50 N -2.46 -0.91 0.23 2.13 0.00 -0.61 -0.65 121.76 119.48 1n47 s ALA 50 Ca -0.04 1.32 0.09 0.00 0.00 0.00 0.00 51.96 53.33 1n47 s ALA 50 Cb -0.03 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 1n47 s ALA 50 CO -0.04 -0.51 -0.15 -0.51 0.00 0.00 0.00 175.76 174.55 1n47 s LEU 51 N 2.04 2.56 0.22 0.00 1.02 0.28 -1.76 118.68 123.04 1n47 s LEU 51 Ca -0.04 -1.04 -0.29 0.00 0.02 0.00 0.00 54.13 52.77 1n47 s LEU 51 Cb -0.11 -0.78 -0.09 0.00 0.02 0.00 0.00 46.19 45.24 1n47 s LEU 51 CO -0.11 -0.14 0.90 -0.47 0.02 0.00 0.00 176.35 176.55 1n47 s TYR 52 N -2.86 3.96 0.14 0.29 5.04 -0.72 -0.39 117.35 122.82 1n47 s TYR 52 Ca 0.25 1.84 -0.23 0.00 -2.44 0.00 0.00 57.07 56.50 1n47 s TYR 52 Cb -0.01 -2.93 -0.01 0.00 0.35 0.00 0.00 41.96 39.36 1n47 s TYR 52 CO 0.10 0.47 1.65 0.00 -1.34 0.00 0.00 175.55 176.42 1n47 h ALA 53 N 4.24 -0.14 -2.43 3.97 0.00 -1.52 -3.42 119.26 119.97 1n47 h ALA 53 Ca -0.45 0.05 -0.54 0.00 0.00 0.00 0.00 54.91 53.96 1n47 h ALA 53 Cb 1.20 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1n47 h ALA 53 CO 0.68 -0.65 0.54 0.00 0.00 0.00 0.00 179.25 179.82 1n47 s ALA 54 N -6.11 3.35 0.70 0.00 0.00 -1.26 -5.02 121.76 113.42 1n47 s ALA 54 Ca -0.15 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 1n47 s ALA 54 Cb 0.11 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 1n47 s ALA 54 CO 0.67 -0.45 1.00 -2.30 0.00 0.00 0.00 175.76 174.69 1n47 n PRO 55 N 4.18 0.61 -4.63 0.00 -0.02 -1.26 -4.80 135.00 129.07 1n47 n PRO 55 Ca 0.09 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 1n47 n PRO 55 Cb 0.47 -2.25 -0.13 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.74 2.69 -0.50 4.25 -5.25 0.23 -4.89 121.20 115.99 1n47 s ILE 56 Ca 0.75 -1.28 -0.22 0.00 -0.99 0.00 0.00 60.65 58.91 1n47 s ILE 56 Cb -0.36 -2.14 0.04 0.00 2.95 0.00 0.00 42.46 42.96 1n47 s ILE 56 CO 0.49 0.30 0.77 -2.28 -1.79 0.00 0.00 174.94 172.42 1n47 s HIS 57 N -0.94 2.95 -0.11 1.37 5.65 -1.26 -1.44 115.29 121.51 1n47 s HIS 57 Ca 0.15 -0.14 0.22 0.00 0.25 0.00 0.00 55.06 55.53 1n47 s HIS 57 Cb -0.10 -3.71 -0.30 0.00 -1.18 0.00 0.00 32.58 27.29 1n47 s HIS 57 CO 0.05 -1.10 0.56 1.51 -0.65 0.00 0.00 174.74 175.11 1n47 n ILE 58 N 5.96 0.05 -3.51 0.89 0.13 -0.69 -4.82 119.36 117.37 1n47 n ILE 58 Ca -0.01 -0.47 -0.09 0.00 -1.10 0.00 0.00 62.75 61.07 1n47 n ILE 58 Cb 0.47 0.03 -0.02 0.00 -0.84 0.00 0.00 39.64 39.28 1n47 n ILE 58 CO 0.00 0.00 0.00 -1.38 2.80 0.00 0.00 176.55 177.97 1n47 s HIS 59 N -3.47 -0.39 -0.35 9.51 -3.43 -1.21 -1.00 115.29 114.95 1n47 s HIS 59 Ca -0.06 0.20 0.11 0.00 -0.80 0.00 0.00 55.06 54.50 1n47 s HIS 59 Cb 0.14 0.56 0.45 0.00 -1.43 0.00 0.00 32.58 32.30 1n47 s HIS 59 CO 0.90 -0.72 1.10 -0.40 -2.00 0.00 0.00 174.74 173.62 1n47 n ASP 60 N -0.32 3.69 0.00 7.38 5.75 -0.81 -4.60 116.55 127.63 1n47 n ASP 60 Ca -0.11 -3.28 0.00 0.00 -0.01 0.00 0.00 54.79 51.38 1n47 n ASP 60 Cb 0.63 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 -0.49 0.00 -0.07 -1.12 3.02 -1.26 -4.31 115.26 111.03 1n47 n ASN 61 Ca 0.30 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.76 1n47 n ASN 61 Cb 0.80 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.90 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 0.82 -4.23 3.41 -2.24 -1.26 -4.98 114.28 105.79 1n47 n THR 62 Ca 0.00 -0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 61.06 1n47 n THR 62 Cb 0.00 -0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 67.23 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 -2.29 4.62 0.18 4.28 2.01 -1.26 -5.10 115.64 118.09 1n47 s THR 63 Ca -0.15 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 1n47 s THR 63 Cb 0.05 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1n47 s THR 63 CO 0.38 0.58 0.38 -0.76 -0.69 0.00 0.00 174.62 174.51 1n47 s LEU 64 N -1.01 4.24 0.45 4.42 1.43 -1.26 -1.92 118.68 125.03 1n47 s LEU 64 Ca 0.15 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1n47 s LEU 64 Cb -0.12 -3.20 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 1n47 s LEU 64 CO 0.04 -0.01 0.70 0.00 0.23 0.00 0.00 176.35 177.31 1n47 s ALA 65 N -1.81 3.58 0.13 4.21 0.00 -0.17 -4.68 121.76 123.02 1n47 s ALA 65 Ca 0.39 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1n47 s ALA 65 Cb -0.11 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1n47 s ALA 65 CO 0.28 -0.34 0.13 -1.12 0.00 0.00 0.00 175.76 174.71 1n47 s SER 66 N -4.16 5.64 0.03 0.00 0.01 0.61 -4.28 113.70 111.57 1n47 s SER 66 Ca 0.47 -0.04 -0.18 0.00 1.31 0.00 0.00 55.95 57.51 1n47 s SER 66 Cb -0.10 -1.53 0.04 0.00 0.21 0.00 0.00 66.02 64.64 1n47 s SER 66 CO 0.40 0.11 0.41 0.72 0.41 0.00 0.00 173.24 175.29 1n47 s PHE 67 N -1.61 -0.27 -0.02 2.43 -0.12 -0.86 -1.42 117.98 116.10 1n47 s PHE 67 Ca 0.31 0.27 0.00 0.00 -0.05 0.00 0.00 56.93 57.46 1n47 s PHE 67 Cb -0.11 0.21 0.02 0.00 -0.63 0.00 0.00 43.02 42.51 1n47 s PHE 67 CO 0.24 -0.55 0.00 0.99 -0.05 0.00 0.00 175.22 175.85 1n47 s THR 68 N -2.25 0.13 0.02 -4.49 2.01 -0.45 -0.41 115.64 110.20 1n47 s THR 68 Ca -0.07 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1n47 s THR 68 Cb -0.01 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 1n47 s THR 68 CO -0.01 0.12 -0.11 0.28 -0.69 0.00 0.00 174.62 174.21 1n47 s THR 69 N 0.87 0.85 -0.05 -0.82 -1.32 -0.84 -1.16 115.64 113.16 1n47 s THR 69 Ca -0.08 -0.74 0.03 0.00 -1.21 0.00 0.00 61.69 59.69 1n47 s THR 69 Cb -0.12 -0.77 0.01 0.00 -1.51 0.00 0.00 72.50 70.11 1n47 s THR 69 CO -0.02 0.04 -0.13 -0.44 -2.21 0.00 0.00 174.62 171.86 1n47 s SER 70 N -0.79 1.76 0.11 8.08 0.01 0.20 -1.78 113.70 121.29 1n47 s SER 70 Ca 0.01 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 1n47 s SER 70 Cb -0.06 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 1n47 s SER 70 CO 0.00 0.08 0.10 0.72 0.41 0.00 0.00 173.24 174.56 1n47 s PHE 71 N 0.35 0.57 -0.02 2.43 -0.12 -0.76 0.08 117.98 120.50 1n47 s PHE 71 Ca -0.08 -0.99 0.06 0.00 -0.05 0.00 0.00 56.93 55.86 1n47 s PHE 71 Cb -0.13 -0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 41.95 1n47 s PHE 71 CO 0.02 -0.53 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.35 1n47 s SER 72 N -2.97 2.34 0.25 1.98 0.01 -0.92 0.02 113.70 114.42 1n47 s SER 72 Ca 0.15 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.06 1n47 s SER 72 Cb 0.06 -0.38 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1n47 s SER 72 CO -0.04 0.22 0.11 0.72 0.41 0.00 0.00 173.24 174.67 1n47 s PHE 73 N -0.32 1.46 -0.06 2.43 -0.12 -1.02 -1.69 117.98 118.65 1n47 s PHE 73 Ca 0.04 -1.26 -0.03 0.00 -0.05 0.00 0.00 56.93 55.63 1n47 s PHE 73 Cb -0.09 -0.81 0.03 0.00 -0.63 0.00 0.00 43.02 41.52 1n47 s PHE 73 CO 0.00 -0.44 0.14 0.08 -0.05 0.00 0.00 175.22 174.96 1n47 s VAL 74 N -3.83 -0.04 -0.14 -2.49 1.01 -0.85 -0.64 120.40 113.43 1n47 s VAL 74 Ca 0.38 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1n47 s VAL 74 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1n47 s VAL 74 CO 0.14 0.06 -0.14 -0.04 0.00 0.00 0.00 175.10 175.12 1n47 s MET 75 N 0.98 3.33 0.09 2.72 -1.94 -1.26 -1.94 119.30 121.27 1n47 s MET 75 Ca -0.08 -0.71 0.08 0.00 -1.71 0.00 0.00 55.69 53.27 1n47 s MET 75 Cb -0.10 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 1n47 s MET 75 CO -0.05 0.15 -0.15 0.00 -0.01 0.00 0.00 175.02 174.95 1n47 s ALA 76 N 0.51 2.75 -0.07 3.03 0.00 -1.25 -1.76 121.76 124.97 1n47 s ALA 76 Ca -0.09 -1.27 -0.06 0.00 0.00 0.00 0.00 51.96 50.54 1n47 s ALA 76 Cb -0.16 -0.76 0.02 0.00 0.00 0.00 0.00 23.12 22.22 1n47 s ALA 76 CO 0.04 0.60 0.19 0.00 0.00 0.00 0.00 175.76 176.59 1n47 s ALA 77 N -1.10 -0.46 0.18 0.00 0.00 -1.26 -0.71 121.76 118.40 1n47 s ALA 77 Ca 0.18 0.58 -0.09 0.00 0.00 0.00 0.00 51.96 52.62 1n47 s ALA 77 Cb -0.11 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.74 1n47 s ALA 77 CO 0.10 -0.10 1.64 -1.35 0.00 0.00 0.00 175.76 176.04 1n47 h PRO 78 N 6.03 1.08 -3.35 0.00 0.11 -1.91 -3.41 132.00 130.56 1n47 h PRO 78 Ca -0.28 -0.35 -0.54 0.00 0.11 0.00 0.00 66.00 64.94 1n47 h PRO 78 Cb 1.19 -0.10 -0.40 0.00 0.11 0.00 0.00 31.00 31.80 1n47 h PRO 78 CO 0.39 1.06 -0.76 0.00 -0.21 0.00 0.00 178.00 178.47 1n47 s ALA 79 N -5.01 1.09 0.13 -0.75 0.00 -1.26 -5.03 121.76 110.92 1n47 s ALA 79 Ca -0.12 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1n47 s ALA 79 Cb 0.14 -1.40 0.11 0.00 0.00 0.00 0.00 23.12 21.97 1n47 s ALA 79 CO 0.86 -1.48 0.78 0.00 0.00 0.00 0.00 175.76 175.91 1n47 n ALA 80 N 5.03 0.14 -1.31 0.00 0.00 -1.26 -0.89 120.51 122.22 1n47 n ALA 80 Ca -0.05 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.48 1n47 n ALA 80 Cb 0.44 -0.17 0.13 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.24 2.43 -3.13 0.00 0.00 -1.26 -4.74 120.51 112.58 1n47 n ALA 81 Ca -0.00 -2.51 -0.17 0.00 0.00 0.00 0.00 53.44 50.76 1n47 n ALA 81 Cb 0.58 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.47 -0.12 0.00 0.00 0.00 -0.07 -5.12 121.76 113.98 1n47 s ALA 82 Ca 0.29 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1n47 s ALA 82 Cb 0.26 -2.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1n47 s ALA 82 CO 0.01 -2.09 0.01 0.14 0.00 0.00 0.00 175.76 173.83 1n47 s VAL 83 N 0.43 0.05 -0.15 0.00 -7.23 -1.26 -2.54 120.40 109.69 1n47 s VAL 83 Ca 0.31 -0.37 -0.34 0.00 -1.81 0.00 0.00 61.98 59.77 1n47 s VAL 83 Cb 0.02 -0.14 0.13 0.00 0.56 0.00 0.00 36.38 36.95 1n47 s VAL 83 CO -0.13 -0.20 1.15 0.00 -0.31 0.00 0.00 175.10 175.61 1n47 s ALA 84 N -0.61 -2.03 -0.56 1.32 0.00 -1.20 -4.52 121.76 114.17 1n47 s ALA 84 Ca -0.07 1.45 0.07 0.00 0.00 0.00 0.00 51.96 53.41 1n47 s ALA 84 Cb -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1n47 s ALA 84 CO -0.00 -0.63 0.46 -0.25 0.00 0.00 0.00 175.76 175.34 1n47 n ASP 85 N -0.14 0.84 0.00 0.00 8.00 0.73 -3.11 116.55 122.87 1n47 n ASP 85 Ca -0.01 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1n47 n ASP 85 Cb 0.59 0.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 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 0.85 2.02 3.25 0.44 0.00 -1.24 -2.91 105.19 107.61 1n47 n GLY 86 Ca 0.02 -2.21 -0.14 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 2.49 -0.01 0.99 0.05 -1.05 -2.96 118.68 118.19 1n47 s LEU 87 Ca 0.00 -1.03 -0.11 0.00 0.05 0.00 0.00 54.13 53.03 1n47 s LEU 87 Cb 0.00 -0.30 0.01 0.00 -2.05 0.00 0.00 46.19 43.85 1n47 s LEU 87 CO 0.00 -0.37 0.23 0.00 -0.55 0.00 0.00 176.35 175.67 1n47 s ALA 88 N -3.37 -0.58 -0.07 1.48 0.00 0.74 -1.54 121.76 118.42 1n47 s ALA 88 Ca 0.17 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 1n47 s ALA 88 Cb 0.03 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1n47 s ALA 88 CO 0.01 -0.23 0.05 0.12 0.00 0.00 0.00 175.76 175.71 1n47 s PHE 89 N -1.31 3.29 0.19 0.00 5.36 -0.98 -0.81 117.98 123.73 1n47 s PHE 89 Ca -0.14 0.27 -0.15 0.00 -0.96 0.00 0.00 56.93 55.96 1n47 s PHE 89 Cb -0.06 -1.81 0.02 0.00 -0.34 0.00 0.00 43.02 40.82 1n47 s PHE 89 CO 0.03 0.55 0.46 -0.59 -1.46 0.00 0.00 175.22 174.21 1n47 s PHE 90 N -0.99 0.05 -0.01 10.12 -0.71 0.12 -1.85 117.98 124.71 1n47 s PHE 90 Ca 0.16 -0.40 0.08 0.00 -1.04 0.00 0.00 56.93 55.73 1n47 s PHE 90 Cb -0.12 0.27 -0.02 0.00 -1.21 0.00 0.00 43.02 41.94 1n47 s PHE 90 CO 0.05 -0.88 -0.25 -0.51 -1.34 0.00 0.00 175.22 172.29 1n47 s LEU 91 N -2.91 2.06 0.26 -1.99 1.02 -0.15 -1.93 118.68 115.04 1n47 s LEU 91 Ca 0.12 -0.47 -0.21 0.00 0.02 0.00 0.00 54.13 53.59 1n47 s LEU 91 Cb 0.00 -1.31 0.03 0.00 0.02 0.00 0.00 46.19 44.93 1n47 s LEU 91 CO -0.01 0.31 0.72 0.00 0.02 0.00 0.00 176.35 177.39 1n47 s ALA 92 N -0.62 -1.29 0.68 4.21 0.00 -0.95 -1.76 121.76 122.04 1n47 s ALA 92 Ca 0.10 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.70 1n47 s ALA 92 Cb -0.10 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1n47 s ALA 92 CO -0.01 -1.01 0.98 -2.30 0.00 0.00 0.00 175.76 173.43 1n47 n PRO 93 N -0.45 0.65 -0.12 0.00 -0.02 -1.25 -0.21 135.00 133.60 1n47 n PRO 93 Ca -0.06 0.28 0.22 0.00 -2.02 0.00 0.00 63.50 61.92 1n47 n PRO 93 Cb 0.60 -2.23 0.64 0.00 -0.02 0.00 0.00 33.50 32.49 1n47 n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n47 h PRO 94 N 0.00 0.13 -0.71 0.52 0.11 -1.88 -1.91 132.00 128.26 1n47 h PRO 94 Ca -0.48 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 1n47 h PRO 94 Cb 1.34 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.31 1n47 h PRO 94 CO 0.48 0.09 0.24 -0.40 -0.21 0.00 0.00 178.00 178.20 1n47 n ASP 95 N -4.38 4.87 -4.62 -2.05 5.75 -1.26 -4.86 116.55 109.99 1n47 n ASP 95 Ca 0.15 -3.21 -0.45 0.00 -0.01 0.00 0.00 54.79 51.26 1n47 n ASP 95 Cb 0.71 -0.74 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 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 -0.12 1.46 -4.40 2.12 5.66 -0.72 -5.00 114.28 113.29 1n47 n THR 96 Ca 0.39 -0.37 -0.26 0.00 -3.05 0.00 0.00 64.05 60.77 1n47 n THR 96 Cb 1.36 -1.17 -0.12 0.00 -1.55 0.00 0.00 70.33 68.86 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 -1.03 1.45 0.56 1.09 -1.52 -1.26 -5.09 119.66 113.86 1n47 s GLN 97 Ca 0.64 -1.49 -0.20 0.00 -1.95 0.00 0.00 55.36 52.36 1n47 s GLN 97 Cb -0.70 -1.71 -0.06 0.00 -0.22 0.00 0.00 33.01 30.32 1n47 s GLN 97 CO 0.56 0.37 0.98 -2.30 -0.25 0.00 0.00 175.29 174.65 1n47 n PRO 98 N 0.29 1.04 0.00 2.91 -0.02 -1.26 -4.96 135.00 133.00 1n47 n PRO 98 Ca -0.13 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1n47 n PRO 98 Cb 0.56 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.72 3.14 -2.38 -0.52 1.13 -0.79 -5.00 117.38 112.24 1n47 n GLN 99 Ca 0.12 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.81 1n47 n GLN 99 Cb 0.45 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.78 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 -2.08 3.08 0.73 -1.58 0.00 -1.00 -4.70 121.76 116.22 1n47 s ALA 100 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1n47 s ALA 100 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 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 -0.11 1.56 0.00 0.00 1.85 -1.26 -1.68 116.66 117.01 1n47 n ARG 101 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1n47 n ARG 101 Cb 0.48 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.89 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 2.54 0.00 2.89 0.00 -1.26 -2.96 105.19 111.40 1n47 n GLY 102 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.76 0.70 -0.02 0.00 -1.26 -2.59 105.19 101.26 1n47 n GLY 103 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.92 0.00 -0.87 1.61 3.72 -1.16 -4.95 117.46 114.90 1n47 n PHE 104 Ca 0.15 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.50 1n47 n PHE 104 Cb 0.07 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.66 -0.04 0.00 4.37 4.77 -1.07 -1.09 117.00 124.59 1n47 n LEU 105 Ca 0.15 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1n47 n LEU 105 Cb 0.49 -1.65 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1n47 n LEU 105 CO 0.18 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.30 1n47 n GLY 106 N 0.22 0.43 0.02 -0.72 0.00 -0.68 -4.07 105.19 100.38 1n47 n GLY 106 Ca -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 0.00 -4.18 0.99 4.77 -0.25 -1.88 117.00 116.45 1n47 n LEU 107 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1n47 n LEU 107 Cb 0.00 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1n47 n LEU 107 CO 0.00 0.08 -0.40 -0.36 -1.33 0.00 0.00 177.39 175.39 1n47 s PHE 108 N -2.37 0.97 -0.18 -1.77 0.08 -1.24 -4.84 117.98 108.63 1n47 s PHE 108 Ca -0.03 -0.82 -0.00 0.00 0.12 0.00 0.00 56.93 56.20 1n47 s PHE 108 Cb 0.04 -0.54 -0.22 0.00 -0.57 0.00 0.00 43.02 41.73 1n47 s PHE 108 CO 0.31 -0.08 0.10 0.00 -0.10 0.00 0.00 175.22 175.45 1n47 n ALA 109 N 0.12 1.21 -3.00 5.36 0.00 -1.26 -2.36 120.51 120.58 1n47 n ALA 109 Ca -0.13 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1n47 n ALA 109 Cb 0.60 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -3.31 0.00 -0.16 0.00 3.85 -1.26 -4.79 116.55 110.88 1n47 n ASP 110 Ca -0.37 0.00 0.07 0.00 -0.71 0.00 0.00 54.79 53.77 1n47 n ASP 110 Cb 1.03 0.00 0.11 0.00 -1.35 0.00 0.00 41.12 40.91 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 2.01 -1.91 0.11 1.85 -1.26 -4.74 116.66 112.72 1n47 n ARG 111 Ca 0.00 -2.28 -0.29 0.00 -1.00 0.00 0.00 57.85 54.28 1n47 n ARG 111 Cb 0.00 -1.38 0.07 0.00 -1.05 0.00 0.00 32.46 30.10 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 -2.26 2.75 -0.95 2.89 0.00 -1.26 -4.82 121.76 118.11 1n47 s ALA 112 Ca 0.24 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 1n47 s ALA 112 Cb 0.20 -2.97 0.24 0.00 0.00 0.00 0.00 23.12 20.59 1n47 s ALA 112 CO 0.03 -1.49 0.87 -1.58 0.00 0.00 0.00 175.76 173.60 1n47 s HIS 113 N -3.49 3.99 -0.21 0.00 2.46 -1.26 -4.66 115.29 112.12 1n47 s HIS 113 Ca 0.61 -2.84 -0.16 0.00 0.47 0.00 0.00 55.06 53.13 1n47 s HIS 113 Cb -0.11 -3.47 -0.04 0.00 -0.13 0.00 0.00 32.58 28.83 1n47 s HIS 113 CO 0.50 -0.83 0.42 0.34 -2.47 0.00 0.00 174.74 172.69 1n47 s ASP 114 N 0.53 6.43 0.11 9.88 2.15 -1.18 -4.96 116.67 129.63 1n47 s ASP 114 Ca 0.27 0.51 0.15 0.00 0.43 0.00 0.00 52.55 53.91 1n47 s ASP 114 Cb -0.09 -2.24 0.67 0.00 -0.30 0.00 0.00 42.92 40.96 1n47 s ASP 114 CO -0.10 -0.11 1.47 0.00 -0.17 0.00 0.00 175.17 176.25 1n47 n ALA 115 N 4.68 1.45 1.90 3.66 0.00 -1.26 -1.84 120.51 129.11 1n47 n ALA 115 Ca -0.08 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.53 1n47 n ALA 115 Cb 0.51 -1.24 0.79 0.00 0.00 0.00 0.00 19.45 19.51 1n47 n ALA 115 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n47 n SER 116 N -1.80 0.26 -0.00 0.00 3.41 -1.26 -3.28 113.62 110.94 1n47 n SER 116 Ca 0.02 -1.18 -0.12 0.00 -0.26 0.00 0.00 58.87 57.34 1n47 n SER 116 Cb 0.14 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.39 0.79 -6.54 7.33 0.05 -1.71 -3.47 116.97 113.80 1n47 h TYR 117 Ca 0.00 -0.31 -0.51 0.00 0.05 0.00 0.00 58.73 57.97 1n47 h TYR 117 Cb 0.08 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 1n47 h TYR 117 CO 0.00 1.08 -0.94 1.04 -1.05 0.00 0.00 178.16 178.30 1n47 n GLN 118 N -3.93 -1.81 -3.97 4.88 6.02 -1.21 -4.77 117.38 112.59 1n47 n GLN 118 Ca -0.04 0.33 -0.17 0.00 -0.01 0.00 0.00 57.00 57.11 1n47 n GLN 118 Cb 0.66 -3.94 -0.16 0.00 1.02 0.00 0.00 30.24 27.82 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 -3.75 0.22 -0.04 5.09 2.01 -1.26 -3.90 115.64 114.01 1n47 s THR 119 Ca 0.25 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.36 1n47 s THR 119 Cb -0.11 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1n47 s THR 119 CO 0.90 0.15 -0.22 -0.69 -0.69 0.00 0.00 174.62 174.07 1n47 s VAL 120 N 0.93 1.81 0.01 3.82 1.01 -0.72 -1.67 120.40 125.58 1n47 s VAL 120 Ca -0.10 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 1n47 s VAL 120 Cb -0.13 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1n47 s VAL 120 CO -0.01 0.51 0.23 0.00 0.00 0.00 0.00 175.10 175.83 1n47 s ALA 121 N -0.29 -0.54 -0.22 5.51 0.00 -0.01 -0.97 121.76 125.24 1n47 s ALA 121 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1n47 s ALA 121 Cb -0.11 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.23 1n47 s ALA 121 CO 0.01 -0.29 -0.10 0.08 0.00 0.00 0.00 175.76 175.47 1n47 s VAL 122 N -1.81 1.74 0.14 0.00 1.01 -0.77 -0.23 120.40 120.47 1n47 s VAL 122 Ca -0.11 -1.18 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1n47 s VAL 122 Cb -0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1n47 s VAL 122 CO 0.01 0.08 0.15 -1.83 0.00 0.00 0.00 175.10 173.51 1n47 s GLU 123 N 1.33 3.00 -0.46 2.72 -1.05 -0.32 -2.31 118.70 121.61 1n47 s GLU 123 Ca -0.04 -0.77 0.02 0.00 -0.15 0.00 0.00 54.97 54.03 1n47 s GLU 123 Cb -0.17 -2.73 0.12 0.00 -0.44 0.00 0.00 34.13 30.91 1n47 s GLU 123 CO -0.07 0.51 0.21 -0.06 0.95 0.00 0.00 175.26 176.80 1n47 s PHE 124 N -1.66 3.47 -0.27 4.83 0.40 -0.59 -1.85 117.98 122.31 1n47 s PHE 124 Ca 0.31 -2.95 -0.18 0.00 -0.60 0.00 0.00 56.93 53.52 1n47 s PHE 124 Cb -0.11 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.43 1n47 s PHE 124 CO 0.24 -0.86 0.51 0.34 0.70 0.00 0.00 175.22 176.16 1n47 s ASP 125 N 0.55 6.42 0.00 1.36 -1.08 0.30 -2.52 116.67 121.70 1n47 s ASP 125 Ca 0.14 0.47 0.16 0.00 -0.52 0.00 0.00 52.55 52.80 1n47 s ASP 125 Cb -0.22 -2.28 0.42 0.00 -1.46 0.00 0.00 42.92 39.37 1n47 s ASP 125 CO -0.04 -0.30 1.34 0.35 0.52 0.00 0.00 175.17 177.04 1n47 n THR 126 N 5.18 0.87 -3.69 1.71 -2.24 -1.14 -2.23 114.28 112.73 1n47 n THR 126 Ca -0.04 -0.93 -0.11 0.00 -2.27 0.00 0.00 64.05 60.69 1n47 n THR 126 Cb 0.50 0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.05 -0.54 -0.30 4.78 6.14 -1.26 -4.57 117.35 120.54 1n47 s TYR 127 Ca 0.33 1.15 -0.29 0.00 0.64 0.00 0.00 57.07 58.90 1n47 s TYR 127 Cb 0.18 0.17 0.01 0.00 0.42 0.00 0.00 41.96 42.73 1n47 s TYR 127 CO 0.23 -0.34 1.14 -1.12 0.64 0.00 0.00 175.55 176.09 1n47 s SER 128 N 1.78 6.88 0.49 4.32 0.01 -1.26 -5.01 113.70 120.91 1n47 s SER 128 Ca -0.06 1.14 0.04 0.00 1.31 0.00 0.00 55.95 58.37 1n47 s SER 128 Cb -0.10 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.66 1n47 s SER 128 CO -0.11 -0.91 0.59 0.59 0.41 0.00 0.00 173.24 173.81 1n47 n ASN 129 N 6.99 1.18 0.17 2.44 4.13 -1.26 -4.98 115.26 123.94 1n47 n ASN 129 Ca 0.13 -1.91 0.02 0.00 1.68 0.00 0.00 54.58 54.50 1n47 n ASN 129 Cb 0.47 -0.35 0.34 0.00 -1.54 0.00 0.00 39.78 38.70 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 -0.11 1.36 -0.01 5.41 0.00 -1.98 -2.28 119.26 121.66 1n47 h ALA 130 Ca -0.20 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1n47 h ALA 130 Cb 0.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1n47 h ALA 130 CO 0.25 0.47 -0.12 -2.67 0.00 0.00 0.00 179.25 177.18 1n47 n TRP 131 N -4.11 0.00 -3.41 0.00 2.14 -1.26 -4.93 117.44 105.88 1n47 n TRP 131 Ca -0.02 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.37 1n47 n TRP 131 Cb 0.40 -0.08 -0.00 0.00 -0.81 0.00 0.00 31.31 30.82 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 -2.27 5.93 0.80 -0.67 -0.00 -0.86 -4.82 116.67 114.79 1n47 s ASP 132 Ca 0.32 -0.22 -0.12 0.00 -0.00 0.00 0.00 52.55 52.53 1n47 s ASP 132 Cb 0.20 -1.15 0.07 0.00 -0.00 0.00 0.00 42.92 42.04 1n47 s ASP 132 CO 0.43 -0.48 1.11 -2.84 -0.00 0.00 0.00 175.17 173.39 1n47 s PRO 133 N -4.20 2.07 -0.20 8.23 0.02 -1.26 -4.80 135.00 134.86 1n47 s PRO 133 Ca 0.46 0.51 -0.00 0.00 0.02 0.00 0.00 61.00 61.99 1n47 s PRO 133 Cb -0.10 -1.93 0.14 0.00 0.02 0.00 0.00 34.50 32.64 1n47 s PRO 133 CO 0.31 -1.60 1.95 0.09 -0.33 0.00 0.00 177.00 177.42 1n47 n ASN 134 N -3.40 5.83 -3.64 2.53 5.03 -1.26 -4.70 115.26 115.65 1n47 n ASN 134 Ca 0.07 -2.80 -0.11 0.00 0.87 0.00 0.00 54.58 52.61 1n47 n ASN 134 Cb 0.57 -1.04 -0.05 0.00 -1.02 0.00 0.00 39.78 38.24 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 -1.14 -0.21 0.37 3.10 -0.85 -1.26 -5.03 117.35 112.32 1n47 s TYR 135 Ca 0.19 -0.06 -0.28 0.00 -0.52 0.00 0.00 57.07 56.40 1n47 s TYR 135 Cb 0.15 0.25 -0.11 0.00 0.38 0.00 0.00 41.96 42.64 1n47 s TYR 135 CO 0.00 -0.68 1.48 0.99 -1.52 0.00 0.00 175.55 175.81 1n47 s THR 136 N -3.61 2.12 0.18 -3.49 2.01 -1.26 -4.85 115.64 106.73 1n47 s THR 136 Ca 0.02 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.91 1n47 s THR 136 Cb 0.01 -3.07 0.06 0.00 0.01 0.00 0.00 72.50 69.51 1n47 s THR 136 CO -0.11 0.03 0.61 -1.38 -0.69 0.00 0.00 174.62 173.08 1n47 s HIS 137 N -1.04 -0.45 -0.15 4.92 -0.00 -0.95 -2.59 115.29 115.04 1n47 s HIS 137 Ca 0.53 0.19 -0.07 0.00 -0.00 0.00 0.00 55.06 55.72 1n47 s HIS 137 Cb -0.46 0.56 -0.04 0.00 -0.00 0.00 0.00 32.58 32.64 1n47 s HIS 137 CO 0.61 -0.91 0.09 0.42 -0.00 0.00 0.00 174.74 174.96 1n47 s ILE 138 N -3.78 5.07 0.06 -5.38 1.01 -0.35 -0.54 121.20 117.28 1n47 s ILE 138 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1n47 s ILE 138 Cb -0.02 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 1n47 s ILE 138 CO -0.09 0.53 -0.05 -0.83 0.00 0.00 0.00 174.94 174.50 1n47 s GLY 139 N -0.30 0.51 -0.38 6.18 0.00 -0.77 -1.47 107.32 111.09 1n47 s GLY 139 Ca 0.10 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 1n47 s GLY 139 CO 0.01 -1.14 0.16 -0.42 0.00 0.00 0.00 173.10 171.71 1n47 s ILE 140 N -2.91 3.37 -0.23 0.90 1.01 -0.08 -1.17 121.20 122.08 1n47 s ILE 140 Ca 0.01 -1.77 -0.21 0.00 0.00 0.00 0.00 60.65 58.68 1n47 s ILE 140 Cb 0.01 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1n47 s ILE 140 CO -0.05 -0.51 0.65 -1.81 0.00 0.00 0.00 174.94 173.22 1n47 s ASP 141 N 1.72 6.64 -0.59 3.58 -0.00 0.68 -1.17 116.67 127.53 1n47 s ASP 141 Ca 0.04 0.79 0.02 0.00 -0.00 0.00 0.00 52.55 53.40 1n47 s ASP 141 Cb -0.22 -2.35 0.15 0.00 -0.00 0.00 0.00 42.92 40.50 1n47 s ASP 141 CO -0.02 -0.35 0.36 -0.89 -0.00 0.00 0.00 175.17 174.27 1n47 s THR 142 N 2.31 3.03 -0.39 -1.27 2.01 -1.26 -0.83 115.64 119.23 1n47 s THR 142 Ca 0.28 -3.37 0.00 0.00 0.31 0.00 0.00 61.69 58.91 1n47 s THR 142 Cb -0.16 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1n47 s THR 142 CO 0.09 -0.86 0.00 0.59 -0.69 0.00 0.00 174.62 173.75 1n47 n ASN 143 N 3.03 -2.51 0.00 3.53 3.02 -0.67 -5.00 115.26 116.66 1n47 n ASN 143 Ca 0.08 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1n47 n ASN 143 Cb 0.34 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 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 -1.50 0.76 0.11 7.41 0.00 -1.26 -3.10 105.19 107.60 1n47 n GLY 144 Ca -0.05 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.49 1n47 n GLY 144 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1n47 n ILE 145 N -0.03 0.65 -2.94 -0.61 0.13 -1.26 -4.51 119.36 110.79 1n47 n ILE 145 Ca 0.00 -0.13 -0.44 0.00 -1.10 0.00 0.00 62.75 61.08 1n47 n ILE 145 Cb 0.00 -0.75 -0.03 0.00 -0.84 0.00 0.00 39.64 38.02 1n47 n ILE 145 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 1n47 s GLU 146 N -3.16 3.38 0.44 9.51 2.12 -1.26 -4.98 118.70 124.74 1n47 s GLU 146 Ca 0.09 -1.45 -0.23 0.00 0.36 0.00 0.00 54.97 53.74 1n47 s GLU 146 Cb 0.12 -4.61 -0.11 0.00 0.26 0.00 0.00 34.13 29.79 1n47 s GLU 146 CO 0.54 -1.74 0.79 0.43 -0.54 0.00 0.00 175.26 174.73 1n47 n SER 147 N 6.78 0.19 0.15 -1.70 7.64 -1.26 -4.85 113.62 120.57 1n47 n SER 147 Ca 0.11 0.95 0.04 0.00 1.01 0.00 0.00 58.87 60.98 1n47 n SER 147 Cb 0.47 -1.24 0.05 0.00 -1.01 0.00 0.00 64.21 62.47 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 1.07 0.00 -2.20 1.43 1.63 -1.51 -3.46 116.57 113.54 1n47 h LYS 148 Ca -0.43 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.31 1n47 h LYS 148 Cb 1.37 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.79 1n47 h LYS 148 CO 0.54 0.43 0.05 0.21 -3.45 0.00 0.00 179.45 177.22 1n47 s LYS 149 N -3.00 0.79 0.12 1.90 2.20 -1.25 -5.00 119.74 115.50 1n47 s LYS 149 Ca 0.04 0.74 0.01 0.00 -0.36 0.00 0.00 55.97 56.40 1n47 s LYS 149 Cb 0.07 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 1n47 s LYS 149 CO 0.73 -0.13 -0.02 0.95 -0.36 0.00 0.00 175.35 176.52 1n47 s THR 150 N 0.02 0.53 0.02 3.43 -4.23 -1.26 -0.90 115.64 113.24 1n47 s THR 150 Ca -0.02 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1n47 s THR 150 Cb -0.04 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 1n47 s THR 150 CO 0.03 -0.72 -0.01 0.42 -0.54 0.00 0.00 174.62 173.80 1n47 s THR 151 N -3.74 0.11 0.63 3.99 -4.23 -0.54 -5.00 115.64 106.87 1n47 s THR 151 Ca 0.16 -0.94 -0.15 0.00 -1.18 0.00 0.00 61.69 59.58 1n47 s THR 151 Cb 0.06 -0.36 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 1n47 s THR 151 CO -0.02 -0.52 1.08 -2.84 -0.54 0.00 0.00 174.62 171.79 1n47 s PRO 152 N -1.62 3.03 -0.12 3.99 0.02 -1.26 -1.21 135.00 137.84 1n47 s PRO 152 Ca -0.14 1.28 -0.29 0.00 0.02 0.00 0.00 61.00 61.86 1n47 s PRO 152 Cb -0.09 -1.99 0.08 0.00 0.02 0.00 0.00 34.50 32.52 1n47 s PRO 152 CO -0.01 -1.05 0.73 -0.59 -0.33 0.00 0.00 177.00 175.75 1n47 s PHE 153 N -2.44 -0.65 -0.28 6.54 -0.71 -1.07 -4.77 117.98 114.59 1n47 s PHE 153 Ca 0.65 1.26 -0.10 0.00 -1.04 0.00 0.00 56.93 57.69 1n47 s PHE 153 Cb -0.18 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 1n47 s PHE 153 CO 0.40 -0.52 0.16 -0.51 -1.34 0.00 0.00 175.22 173.41 1n47 s ASP 154 N -0.80 5.79 0.88 1.98 1.01 -1.26 -4.40 116.67 119.86 1n47 s ASP 154 Ca -0.07 -0.12 -0.11 0.00 0.71 0.00 0.00 52.55 52.96 1n47 s ASP 154 Cb -0.01 -2.07 0.12 0.00 1.01 0.00 0.00 42.92 41.97 1n47 s ASP 154 CO 0.07 -0.07 1.11 -0.04 0.21 0.00 0.00 175.17 176.44 1n47 s MET 155 N 1.71 1.39 -0.32 8.23 -1.94 -1.26 -5.03 119.30 122.08 1n47 s MET 155 Ca 0.07 1.22 -0.01 0.00 -1.71 0.00 0.00 55.69 55.25 1n47 s MET 155 Cb -0.16 -1.79 0.13 0.00 2.01 0.00 0.00 34.83 35.01 1n47 s MET 155 CO 0.09 -2.26 0.21 0.08 -0.01 0.00 0.00 175.02 173.13 1n47 s VAL 156 N -2.79 -0.05 0.47 -6.03 1.01 -1.26 -5.13 120.40 106.62 1n47 s VAL 156 Ca 0.64 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 1n47 s VAL 156 Cb -0.20 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.11 1n47 s VAL 156 CO 0.58 -0.80 1.35 -0.31 0.00 0.00 0.00 175.10 175.92 1n47 s TYR 157 N 1.62 2.53 0.00 5.22 1.51 -1.26 -2.62 117.35 124.35 1n47 s TYR 157 Ca 0.14 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 1n47 s TYR 157 Cb -0.19 -3.77 0.00 0.00 -0.11 0.00 0.00 41.96 37.89 1n47 s TYR 157 CO -0.17 -2.59 0.00 0.41 -1.11 0.00 0.00 175.55 172.09 1n47 n GLY 158 N 0.63 3.05 3.74 0.71 0.00 -0.72 -5.02 105.19 107.58 1n47 n GLY 158 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.40 3.91 0.05 1.61 2.12 -1.08 -4.99 118.70 119.94 1n47 s GLU 159 Ca 0.00 -0.23 -0.31 0.00 0.36 0.00 0.00 54.97 54.79 1n47 s GLU 159 Cb 0.00 -3.29 -0.07 0.00 0.26 0.00 0.00 34.13 31.02 1n47 s GLU 159 CO 0.00 0.42 1.55 0.21 -0.54 0.00 0.00 175.26 176.91 1n47 s LYS 160 N -0.02 4.23 0.21 4.30 2.20 -1.26 -4.65 119.74 124.76 1n47 s LYS 160 Ca 0.09 2.20 0.06 0.00 -0.36 0.00 0.00 55.97 57.96 1n47 s LYS 160 Cb -0.12 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1n47 s LYS 160 CO 0.00 -0.66 0.15 0.00 -0.36 0.00 0.00 175.35 174.48 1n47 s ALA 161 N 2.42 3.53 -0.16 3.13 0.00 0.19 -4.59 121.76 126.28 1n47 s ALA 161 Ca 0.70 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1n47 s ALA 161 Cb -0.37 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1n47 s ALA 161 CO 0.30 0.37 -0.15 -0.80 0.00 0.00 0.00 175.76 175.48 1n47 s ASN 162 N -3.47 3.62 0.04 0.00 0.01 -0.51 -2.42 114.94 112.21 1n47 s ASN 162 Ca 0.32 -0.49 0.06 0.00 -0.71 0.00 0.00 52.86 52.04 1n47 s ASN 162 Cb -0.09 -1.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.98 1n47 s ASN 162 CO 0.24 0.07 -0.13 -0.63 -1.51 0.00 0.00 177.10 175.13 1n47 s ILE 163 N 0.89 3.14 -0.08 0.60 -1.09 0.10 -0.72 121.20 124.05 1n47 s ILE 163 Ca -0.04 -1.08 -0.02 0.00 -2.23 0.00 0.00 60.65 57.28 1n47 s ILE 163 Cb -0.15 -2.36 0.04 0.00 -1.58 0.00 0.00 42.46 38.40 1n47 s ILE 163 CO -0.01 0.32 0.05 -0.69 -1.23 0.00 0.00 174.94 173.37 1n47 s VAL 164 N -0.99 0.08 -0.18 2.92 1.01 -0.84 -1.82 120.40 120.58 1n47 s VAL 164 Ca 0.16 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1n47 s VAL 164 Cb -0.11 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.88 1n47 s VAL 164 CO 0.07 0.11 -0.11 -0.63 0.00 0.00 0.00 175.10 174.54 1n47 s ILE 165 N 2.09 2.95 -0.06 2.22 1.01 -0.74 -2.32 121.20 126.35 1n47 s ILE 165 Ca 0.04 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1n47 s ILE 165 Cb -0.13 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 1n47 s ILE 165 CO -0.05 0.49 -0.22 0.28 0.00 0.00 0.00 174.94 175.44 1n47 s THR 166 N 1.01 1.86 -0.14 2.92 -1.32 -0.72 -1.99 115.64 117.25 1n47 s THR 166 Ca -0.01 -0.94 -0.03 0.00 -1.21 0.00 0.00 61.69 59.50 1n47 s THR 166 Cb -0.15 -1.59 -0.03 0.00 -1.51 0.00 0.00 72.50 69.23 1n47 s THR 166 CO -0.02 0.52 -0.05 -0.47 -2.21 0.00 0.00 174.62 172.39 1n47 s TYR 167 N 0.04 3.00 -0.17 9.09 6.14 0.45 -2.20 117.35 133.70 1n47 s TYR 167 Ca -0.08 -0.28 0.01 0.00 0.64 0.00 0.00 57.07 57.37 1n47 s TYR 167 Cb -0.14 -1.92 0.02 0.00 0.42 0.00 0.00 41.96 40.34 1n47 s TYR 167 CO 0.04 0.01 -0.20 -1.14 0.64 0.00 0.00 175.55 174.90 1n47 s GLN 168 N 0.19 2.90 0.11 4.97 0.74 -0.63 -2.04 119.66 125.90 1n47 s GLN 168 Ca -0.03 -0.80 -0.21 0.00 0.05 0.00 0.00 55.36 54.37 1n47 s GLN 168 Cb -0.14 -2.48 -0.11 0.00 1.10 0.00 0.00 33.01 31.38 1n47 s GLN 168 CO 0.03 -0.18 1.76 0.00 -0.55 0.00 0.00 175.29 176.35 1n47 h ALA 169 N 7.84 0.13 -0.83 1.58 0.00 -1.89 0.29 119.26 126.38 1n47 h ALA 169 Ca -0.43 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.56 1n47 h ALA 169 Cb 1.15 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1n47 h ALA 169 CO 0.61 -0.38 0.54 0.66 0.00 0.00 0.00 179.25 180.68 1n47 h SER 170 N 0.13 0.74 -0.01 0.00 4.64 -1.94 -2.57 113.55 114.55 1n47 h SER 170 Ca 0.04 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1n47 h SER 170 Cb -0.01 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1n47 h SER 170 CO -0.01 0.45 -0.50 0.35 -0.87 0.00 0.00 176.83 176.25 1n47 n THR 171 N -4.51 0.00 -3.60 2.95 -2.24 -1.16 -4.98 114.28 100.75 1n47 n THR 171 Ca 0.13 -0.25 -0.23 0.00 -2.27 0.00 0.00 64.05 61.43 1n47 n THR 171 Cb 0.28 1.09 0.08 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.76 -7.63 -3.70 -0.78 5.02 0.99 -4.84 118.16 106.46 1n47 n LYS 172 Ca 0.04 0.82 -0.36 0.00 -2.02 0.00 0.00 58.31 56.80 1n47 n LYS 172 Cb 0.27 -5.86 -0.09 0.00 -0.02 0.00 0.00 35.03 29.34 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 -3.33 3.66 -0.16 7.82 0.00 -0.97 -1.39 121.76 127.40 1n47 s ALA 173 Ca 0.50 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 1n47 s ALA 173 Cb -0.22 -2.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1n47 s ALA 173 CO 0.74 0.02 -0.03 -1.17 0.00 0.00 0.00 175.76 175.32 1n47 s LEU 174 N 0.63 3.30 -0.02 0.00 0.20 0.34 -1.61 118.68 121.53 1n47 s LEU 174 Ca 0.08 -0.11 0.00 0.00 0.69 0.00 0.00 54.13 54.79 1n47 s LEU 174 Cb -0.12 -1.80 0.02 0.00 -0.43 0.00 0.00 46.19 43.86 1n47 s LEU 174 CO 0.01 0.17 0.02 0.00 -0.29 0.00 0.00 176.35 176.25 1n47 s ALA 175 N 0.35 0.12 0.18 5.97 0.00 -0.93 -1.10 121.76 126.35 1n47 s ALA 175 Ca -0.03 0.21 0.11 0.00 0.00 0.00 0.00 51.96 52.25 1n47 s ALA 175 Cb -0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1n47 s ALA 175 CO 0.03 -0.07 -0.24 0.00 0.00 0.00 0.00 175.76 175.47 1n47 s ALA 176 N 0.82 2.53 -0.05 0.00 0.00 0.22 -1.75 121.76 123.53 1n47 s ALA 176 Ca -0.07 -1.61 -0.10 0.00 0.00 0.00 0.00 51.96 50.19 1n47 s ALA 176 Cb -0.10 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1n47 s ALA 176 CO -0.02 0.45 0.23 -1.54 0.00 0.00 0.00 175.76 174.88 1n47 s SER 177 N -2.57 -0.17 -0.04 0.00 1.04 -0.98 -0.90 113.70 110.08 1n47 s SER 177 Ca 0.20 0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.89 1n47 s SER 177 Cb -0.08 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.44 1n47 s SER 177 CO 0.09 -0.23 -0.09 -0.22 0.98 0.00 0.00 173.24 173.77 1n47 s LEU 178 N -0.55 1.66 -0.06 2.42 2.96 -0.22 -1.98 118.68 122.91 1n47 s LEU 178 Ca -0.06 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 1n47 s LEU 178 Cb -0.04 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.07 1n47 s LEU 178 CO 0.01 0.03 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.23 1n47 s VAL 179 N 0.44 1.35 -0.92 1.68 1.01 0.10 -1.34 120.40 122.72 1n47 s VAL 179 Ca -0.07 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1n47 s VAL 179 Cb -0.11 -1.19 0.23 0.00 0.00 0.00 0.00 36.38 35.31 1n47 s VAL 179 CO 0.01 0.40 0.84 -0.36 0.00 0.00 0.00 175.10 175.98 1n47 s PHE 180 N 0.39 3.94 0.22 5.22 0.08 -0.35 -1.42 117.98 126.07 1n47 s PHE 180 Ca -0.11 -2.84 -0.16 0.00 0.12 0.00 0.00 56.93 53.93 1n47 s PHE 180 Cb -0.14 -3.44 0.24 0.00 -0.57 0.00 0.00 43.02 39.11 1n47 s PHE 180 CO 0.04 -0.82 1.49 -2.30 -0.10 0.00 0.00 175.22 173.53 1n47 n PRO 181 N 2.65 -0.22 -0.06 0.24 -0.02 -1.26 0.11 135.00 136.43 1n47 n PRO 181 Ca 0.20 1.48 -0.15 0.00 -2.02 0.00 0.00 63.50 63.01 1n47 n PRO 181 Cb 0.38 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 1n47 n PRO 181 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1n47 h VAL 182 N 0.00 1.30 0.00 -1.45 2.07 -1.94 -2.87 116.25 113.36 1n47 h VAL 182 Ca 0.34 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1n47 h VAL 182 Cb 0.58 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1n47 h VAL 182 CO -0.96 0.56 0.00 -1.20 0.02 0.00 0.00 177.57 175.99 1n47 n SER 183 N -4.09 0.00 -3.63 0.57 7.64 -1.01 -4.92 113.62 108.17 1n47 n SER 183 Ca -0.06 0.36 -0.27 0.00 1.01 0.00 0.00 58.87 59.92 1n47 n SER 183 Cb 0.62 -0.45 0.04 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.45 -5.76 -4.93 1.43 6.02 0.30 -5.01 117.38 107.98 1n47 n GLN 184 Ca 0.08 0.69 -0.31 0.00 -0.01 0.00 0.00 57.00 57.45 1n47 n GLN 184 Cb 0.29 -5.59 -0.14 0.00 1.02 0.00 0.00 30.24 25.81 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 -3.24 2.35 0.03 5.09 -4.23 -1.00 -5.00 115.64 109.64 1n47 s THR 185 Ca 0.56 -1.24 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1n47 s THR 185 Cb -0.27 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 1n47 s THR 185 CO 0.69 0.42 -0.02 -0.94 -0.54 0.00 0.00 174.62 174.23 1n47 s SER 186 N -1.12 0.31 0.05 3.99 1.04 -1.26 -1.21 113.70 115.49 1n47 s SER 186 Ca 0.12 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.92 1n47 s SER 186 Cb -0.10 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 1n47 s SER 186 CO 0.02 -0.40 -0.06 -0.31 0.98 0.00 0.00 173.24 173.48 1n47 s TYR 187 N -2.21 0.59 -0.01 5.02 1.51 -0.45 -4.99 117.35 116.80 1n47 s TYR 187 Ca -0.09 -0.65 -0.11 0.00 -1.01 0.00 0.00 57.07 55.20 1n47 s TYR 187 Cb -0.04 -0.37 0.01 0.00 -0.11 0.00 0.00 41.96 41.45 1n47 s TYR 187 CO -0.04 -0.16 0.24 0.00 -1.11 0.00 0.00 175.55 174.48 1n47 s ALA 188 N -2.12 -0.59 -0.03 3.71 0.00 -1.26 -1.06 121.76 120.41 1n47 s ALA 188 Ca -0.05 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 1n47 s ALA 188 Cb -0.05 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1n47 s ALA 188 CO -0.02 -0.23 0.37 0.08 0.00 0.00 0.00 175.76 175.95 1n47 s VAL 189 N -1.25 0.05 -0.03 0.00 1.01 -0.08 -4.99 120.40 115.11 1n47 s VAL 189 Ca -0.13 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1n47 s VAL 189 Cb -0.06 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1n47 s VAL 189 CO 0.03 -0.21 0.23 -0.55 0.00 0.00 0.00 175.10 174.61 1n47 s SER 190 N -1.19 -0.14 0.12 3.32 0.15 -1.26 0.72 113.70 115.42 1n47 s SER 190 Ca -0.12 0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.48 1n47 s SER 190 Cb -0.04 0.34 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1n47 s SER 190 CO 0.05 -0.31 0.42 0.00 1.20 0.00 0.00 173.24 174.60 1n47 s ALA 191 N -0.89 -1.00 -0.26 5.45 0.00 -0.26 -5.01 121.76 119.80 1n47 s ALA 191 Ca -0.10 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 1n47 s ALA 191 Cb -0.05 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1n47 s ALA 191 CO 0.02 -0.63 0.13 0.50 0.00 0.00 0.00 175.76 175.79 1n47 s ARG 192 N -3.62 3.85 -0.17 0.00 3.52 -1.26 -0.51 118.95 120.76 1n47 s ARG 192 Ca 0.02 -0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 55.17 1n47 s ARG 192 Cb 0.01 -3.49 0.07 0.00 -1.56 0.00 0.00 34.95 29.99 1n47 s ARG 192 CO -0.11 -0.13 0.38 0.54 -0.81 0.00 0.00 175.30 175.17 1n47 s VAL 193 N 1.55 -0.40 -0.57 7.11 0.11 -0.49 -5.00 120.40 122.72 1n47 s VAL 193 Ca 0.06 0.16 -0.26 0.00 -2.93 0.00 0.00 61.98 59.02 1n47 s VAL 193 Cb -0.15 -0.60 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1n47 s VAL 193 CO 0.07 0.07 1.06 -0.62 -3.33 0.00 0.00 175.10 172.35 1n47 s ASP 194 N 2.15 6.38 0.25 3.54 -1.08 -1.26 -4.72 116.67 121.93 1n47 s ASP 194 Ca -0.04 -0.16 0.23 0.00 -0.52 0.00 0.00 52.55 52.06 1n47 s ASP 194 Cb -0.11 -2.49 0.97 0.00 -1.46 0.00 0.00 42.92 39.83 1n47 s ASP 194 CO -0.12 -1.35 1.70 0.18 0.52 0.00 0.00 175.17 176.10 1n47 n LEU 195 N 7.93 0.64 0.02 -1.34 4.77 -1.26 -2.56 117.00 125.20 1n47 n LEU 195 Ca 0.05 0.66 0.03 0.00 -0.03 0.00 0.00 56.01 56.72 1n47 n LEU 195 Cb 0.48 -0.58 0.40 0.00 -2.33 0.00 0.00 43.42 41.39 1n47 n LEU 195 CO 0.67 -0.55 1.08 0.03 -1.33 0.00 0.00 177.39 177.29 1n47 h ARG 196 N 0.00 0.49 0.00 3.23 3.08 -1.91 -1.39 114.38 117.89 1n47 h ARG 196 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1n47 h ARG 196 Cb 0.35 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1n47 h ARG 196 CO 0.00 0.40 -0.11 -0.44 -1.07 0.00 0.00 179.97 178.75 1n47 h ASP 197 N 0.50 0.00 0.00 7.04 3.32 -1.92 -3.39 116.42 121.97 1n47 h ASP 197 Ca 0.13 -0.02 -0.31 0.00 0.02 0.00 0.00 57.03 56.85 1n47 h ASP 197 Cb 0.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1n47 h ASP 197 CO -0.02 0.01 -2.04 -0.38 -1.72 0.00 0.00 179.24 175.10 1n47 n ILE 198 N -2.50 1.02 -4.02 0.35 2.08 -1.02 -5.04 119.36 110.22 1n47 n ILE 198 Ca 0.05 -0.28 -0.26 0.00 0.56 0.00 0.00 62.75 62.82 1n47 n ILE 198 Cb 0.46 -1.67 -0.04 0.00 -0.75 0.00 0.00 39.64 37.64 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 -6.88 4.06 0.93 1.39 1.43 -0.55 -4.47 118.68 114.58 1n47 s LEU 199 Ca -0.26 0.02 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 1n47 s LEU 199 Cb 0.10 -2.65 0.15 0.00 0.03 0.00 0.00 46.19 43.82 1n47 s LEU 199 CO 0.34 0.07 1.20 -2.16 0.23 0.00 0.00 176.35 176.03 1n47 s PRO 200 N -3.12 0.99 0.27 1.29 0.05 -1.26 -4.70 135.00 128.51 1n47 s PRO 200 Ca 0.33 -0.00 -0.01 0.00 0.05 0.00 0.00 61.00 61.36 1n47 s PRO 200 Cb -0.11 -1.85 0.46 0.00 0.05 0.00 0.00 34.50 33.06 1n47 s PRO 200 CO 0.26 -2.24 1.86 0.93 0.05 0.00 0.00 177.00 177.86 1n47 h GLU 201 N -1.53 1.08 -5.52 4.56 5.08 -1.96 -3.42 114.58 112.86 1n47 h GLU 201 Ca -0.47 -0.06 -0.65 0.00 -1.00 0.00 0.00 59.36 57.18 1n47 h GLU 201 Cb 1.30 -0.24 -0.32 0.00 0.50 0.00 0.00 28.75 29.98 1n47 h GLU 201 CO 0.53 0.71 -0.87 0.71 -1.00 0.00 0.00 179.01 179.10 1n47 s TYR 202 N -6.01 2.27 0.13 4.33 1.51 -1.26 -1.70 117.35 116.61 1n47 s TYR 202 Ca -0.12 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.17 1n47 s TYR 202 Cb 0.21 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1n47 s TYR 202 CO 0.81 -0.29 -0.03 0.14 -1.11 0.00 0.00 175.55 175.07 1n47 s VAL 203 N 0.12 0.64 0.18 0.71 -7.23 -0.52 -4.20 120.40 110.10 1n47 s VAL 203 Ca -0.10 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1n47 s VAL 203 Cb -0.15 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 1n47 s VAL 203 CO 0.05 -0.70 0.18 -0.13 -0.31 0.00 0.00 175.10 174.20 1n47 s ARG 204 N -3.88 3.02 0.15 4.82 0.52 0.71 0.74 118.95 125.03 1n47 s ARG 204 Ca 0.17 -0.85 0.09 0.00 -0.52 0.00 0.00 55.73 54.62 1n47 s ARG 204 Cb 0.06 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 1n47 s ARG 204 CO -0.01 0.48 -0.20 0.14 0.02 0.00 0.00 175.30 175.72 1n47 s VAL 205 N -1.82 1.88 -1.94 3.52 -7.23 -1.26 -2.24 120.40 111.31 1n47 s VAL 205 Ca 0.32 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1n47 s VAL 205 Cb -0.10 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.03 1n47 s VAL 205 CO 0.25 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1n47 n GLY 206 N 0.53 -1.04 3.34 2.32 0.00 -0.81 -1.75 105.19 107.78 1n47 n GLY 206 Ca -0.15 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 2.08 0.02 1.61 0.40 -0.72 0.13 117.98 118.49 1n47 s PHE 207 Ca 0.00 -0.40 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 42.38 1n47 s PHE 207 CO 0.00 0.27 -0.05 0.45 0.70 0.00 0.00 175.22 176.59 1n47 s SER 208 N -1.93 0.55 0.01 1.36 0.15 0.01 -1.58 113.70 112.28 1n47 s SER 208 Ca 0.11 -0.30 -0.23 0.00 0.70 0.00 0.00 55.95 56.23 1n47 s SER 208 Cb -0.10 0.00 0.05 0.00 -1.71 0.00 0.00 66.02 64.26 1n47 s SER 208 CO 0.05 -0.09 0.51 0.00 1.20 0.00 0.00 173.24 174.91 1n47 s ALA 209 N -0.75 -1.31 0.03 5.45 0.00 -0.66 -0.18 121.76 124.34 1n47 s ALA 209 Ca -0.05 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 1n47 s ALA 209 Cb -0.06 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1n47 s ALA 209 CO -0.00 -0.42 -0.04 0.95 0.00 0.00 0.00 175.76 176.26 1n47 s THR 210 N -1.89 0.19 0.60 0.00 -4.23 -1.15 -1.94 115.64 107.21 1n47 s THR 210 Ca -0.08 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 1n47 s THR 210 Cb -0.01 -0.64 0.09 0.00 1.34 0.00 0.00 72.50 73.28 1n47 s THR 210 CO 0.03 -0.62 0.83 0.42 -0.54 0.00 0.00 174.62 174.74 1n47 s THR 211 N -2.11 2.30 0.51 3.99 -4.23 -0.82 -0.19 115.64 115.08 1n47 s THR 211 Ca -0.09 -0.82 -0.21 0.00 -1.18 0.00 0.00 61.69 59.38 1n47 s THR 211 Cb -0.05 -2.48 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 1n47 s THR 211 CO -0.03 0.00 1.18 -0.83 -0.54 0.00 0.00 174.62 174.40 1n47 s GLY 212 N -4.63 2.75 0.27 3.99 0.00 -1.16 -4.31 107.32 104.24 1n47 s GLY 212 Ca 0.62 0.95 0.25 0.00 0.00 0.00 0.00 44.72 46.54 1n47 s GLY 212 CO 0.40 1.38 1.75 1.41 0.00 0.00 0.00 173.10 178.04 1n47 h LEU 213 N 1.61 0.00 -9.11 0.66 3.38 -1.96 -1.27 115.31 108.62 1n47 h LEU 213 Ca -0.50 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.79 1n47 h LEU 213 Cb 1.26 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.82 1n47 h LEU 213 CO 0.58 0.00 -0.75 0.20 0.09 0.00 0.00 178.44 178.56 1n47 s ASN 214 N -4.47 4.23 0.21 -0.43 -0.87 -1.26 -4.75 114.94 107.59 1n47 s ASN 214 Ca 0.06 -0.32 -0.32 0.00 -1.57 0.00 0.00 52.86 50.72 1n47 s ASN 214 Cb 0.10 -0.83 -0.14 0.00 -0.02 0.00 0.00 41.25 40.36 1n47 s ASN 214 CO 0.47 0.25 1.29 0.00 -2.57 0.00 0.00 177.10 176.53 1n47 n ALA 215 N 1.36 0.24 -0.99 0.60 0.00 -1.26 -2.15 120.51 118.31 1n47 n ALA 215 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1n47 n ALA 215 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 2.05 0.41 2.71 0.00 0.00 -1.26 -4.94 105.19 104.16 1n47 n GLY 216 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.68 3.31 -4.20 1.61 0.31 -0.92 -4.75 118.33 111.01 1n47 n VAL 217 Ca 0.00 -5.52 -0.12 0.00 -0.01 0.00 0.00 64.34 58.69 1n47 n VAL 217 Cb 0.11 -1.75 -0.10 0.00 -0.91 0.00 0.00 33.84 31.20 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 -3.55 0.03 -0.17 2.52 0.11 -1.05 -2.96 120.40 115.33 1n47 s VAL 218 Ca 0.43 -1.99 -0.31 0.00 -2.93 0.00 0.00 61.98 57.18 1n47 s VAL 218 Cb 0.20 -2.48 0.14 0.00 -1.53 0.00 0.00 36.38 32.71 1n47 s VAL 218 CO -0.07 -0.03 1.08 -1.83 -3.33 0.00 0.00 175.10 170.92 1n47 s GLU 219 N -4.15 0.48 0.74 1.54 -1.05 -1.24 -4.25 118.70 110.78 1n47 s GLU 219 Ca 0.38 0.02 -0.12 0.00 -0.15 0.00 0.00 54.97 55.11 1n47 s GLU 219 Cb 0.07 0.23 0.04 0.00 -0.44 0.00 0.00 34.13 34.02 1n47 s GLU 219 CO 0.11 -0.17 1.12 0.95 0.95 0.00 0.00 175.26 178.23 1n47 s THR 220 N -1.56 2.97 -0.41 1.83 -4.23 0.11 -4.83 115.64 109.52 1n47 s THR 220 Ca 0.03 0.31 0.04 0.00 -1.18 0.00 0.00 61.69 60.88 1n47 s THR 220 Cb -0.01 -3.31 0.17 0.00 1.34 0.00 0.00 72.50 70.69 1n47 s THR 220 CO -0.03 -0.41 0.38 -1.00 -0.54 0.00 0.00 174.62 173.02 1n47 s HIS 221 N -3.43 0.49 -0.15 3.99 0.09 -1.26 -3.96 115.29 111.06 1n47 s HIS 221 Ca 0.59 -1.79 -0.07 0.00 -0.00 0.00 0.00 55.06 53.79 1n47 s HIS 221 Cb -0.11 -0.68 -0.04 0.00 -0.00 0.00 0.00 32.58 31.75 1n47 s HIS 221 CO 0.51 -0.91 0.10 -0.51 -0.00 0.00 0.00 174.74 173.93 1n47 s ASP 222 N 0.50 6.05 -0.18 1.40 1.01 -0.82 -1.98 116.67 122.66 1n47 s ASP 222 Ca 0.28 0.29 -0.07 0.00 0.71 0.00 0.00 52.55 53.76 1n47 s ASP 222 Cb -0.03 -1.98 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 1n47 s ASP 222 CO -0.12 0.30 0.06 -0.63 0.21 0.00 0.00 175.17 174.98 1n47 s ILE 223 N -0.37 4.77 -0.19 0.77 -1.09 -0.01 -2.00 121.20 123.08 1n47 s ILE 223 Ca 0.11 -0.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.55 1n47 s ILE 223 Cb -0.12 -3.14 -0.16 0.00 -1.58 0.00 0.00 42.46 37.46 1n47 s ILE 223 CO 0.01 0.47 -0.10 0.52 -1.23 0.00 0.00 174.94 174.62 1n47 n VAL 224 N 3.43 1.16 -3.56 2.92 0.31 -0.68 -1.65 118.33 120.26 1n47 n VAL 224 Ca -0.17 -0.54 -0.15 0.00 -0.01 0.00 0.00 64.34 63.47 1n47 n VAL 224 Cb 0.52 -0.99 -0.06 0.00 -0.91 0.00 0.00 33.84 32.41 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 -5.64 -0.51 -0.22 4.52 1.04 -1.24 -4.29 113.70 107.36 1n47 s SER 225 Ca -0.21 0.38 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 1n47 s SER 225 Cb 0.06 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.74 1n47 s SER 225 CO 0.55 -0.66 0.56 0.86 0.98 0.00 0.00 173.24 175.52 1n47 s TRP 226 N -1.91 -0.71 -0.02 5.02 -0.00 -0.58 -2.16 118.94 118.60 1n47 s TRP 226 Ca -0.08 1.59 -0.03 0.00 -0.00 0.00 0.00 56.10 57.58 1n47 s TRP 226 Cb -0.01 0.31 0.00 0.00 -0.00 0.00 0.00 33.47 33.77 1n47 s TRP 226 CO 0.03 -0.35 0.08 0.45 -0.00 0.00 0.00 176.95 177.15 1n47 s SER 227 N 0.80 -0.01 -0.13 5.86 0.15 0.11 0.12 113.70 120.60 1n47 s SER 227 Ca -0.04 -0.02 -0.12 0.00 0.70 0.00 0.00 55.95 56.47 1n47 s SER 227 Cb -0.05 0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1n47 s SER 227 CO -0.06 -0.15 0.35 0.12 1.20 0.00 0.00 173.24 174.70 1n47 s PHE 228 N -0.51 -0.40 -0.10 3.44 5.36 -0.32 -0.63 117.98 124.82 1n47 s PHE 228 Ca -0.06 0.96 -0.06 0.00 -0.96 0.00 0.00 56.93 56.81 1n47 s PHE 228 Cb -0.04 0.14 0.04 0.00 -0.34 0.00 0.00 43.02 42.82 1n47 s PHE 228 CO 0.00 -0.20 0.24 0.00 -1.46 0.00 0.00 175.22 173.81 1n47 s ALA 229 N 0.28 -0.57 0.11 11.12 0.00 -0.31 -1.74 121.76 130.66 1n47 s ALA 229 Ca -0.01 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.91 1n47 s ALA 229 Cb -0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1n47 s ALA 229 CO -0.00 -0.17 -0.14 0.08 0.00 0.00 0.00 175.76 175.53 1n47 s VAL 230 N 0.92 1.25 -0.11 0.00 1.01 -0.17 -1.34 120.40 121.95 1n47 s VAL 230 Ca -0.07 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.24 1n47 s VAL 230 Cb -0.08 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.93 1n47 s VAL 230 CO -0.06 -0.39 0.25 -0.44 0.00 0.00 0.00 175.10 174.46 1n47 s SER 231 N -2.31 -0.01 -0.40 3.32 0.01 -0.51 -2.86 113.70 110.93 1n47 s SER 231 Ca 0.06 0.54 0.04 0.00 1.31 0.00 0.00 55.95 57.91 1n47 s SER 231 Cb -0.06 0.51 0.11 0.00 0.21 0.00 0.00 66.02 66.79 1n47 s SER 231 CO 0.03 -0.19 0.12 -0.22 0.41 0.00 0.00 173.24 173.39 1n47 s LEU 232 N 1.70 4.56 0.00 2.44 2.96 -0.84 -0.28 118.68 129.22 1n47 s LEU 232 Ca -0.05 -2.45 0.20 0.00 -0.22 0.00 0.00 54.13 51.60 1n47 s LEU 232 Cb -0.11 -1.62 1.19 0.00 0.50 0.00 0.00 46.19 46.15 1n47 s LEU 232 CO -0.08 -0.33 1.57 0.00 -1.32 0.00 0.00 176.35 176.19