#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwv n ASN 3 N 0.00 0.94 -0.36 1.67 3.02 -1.26 -3.01 115.26 116.27 2nwv n ASN 3 Ca 0.00 0.39 0.07 0.00 -0.03 0.00 0.00 54.58 55.01 2nwv n ASN 3 Cb 0.00 -0.09 0.25 0.00 -0.61 0.00 0.00 39.78 39.32 2nwv n ASN 3 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2nwv h VAL 4 N 0.01 0.91 -0.69 2.41 2.07 -1.99 -1.77 116.25 117.19 2nwv h VAL 4 Ca -0.30 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2nwv h VAL 4 Cb 2.02 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2nwv h VAL 4 CO 0.08 0.18 0.44 0.00 0.02 0.00 0.00 177.57 178.29 2nwv h ALA 5 N 1.55 0.89 -0.67 1.67 0.00 -1.99 -1.35 119.26 119.36 2nwv h ALA 5 Ca 0.50 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.30 2nwv h ALA 5 Cb 0.51 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2nwv h ALA 5 CO -0.27 0.24 0.11 1.49 0.00 0.00 0.00 179.25 180.82 2nwv h GLU 6 N 0.88 1.10 -0.57 0.00 4.57 -1.69 -2.93 114.58 115.94 2nwv h GLU 6 Ca 0.27 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2nwv h GLU 6 Cb -0.03 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 2nwv h GLU 6 CO -0.09 1.00 0.37 1.88 -1.18 0.00 0.00 179.01 180.99 2nwv h TYR 7 N 1.02 0.73 -0.55 0.92 0.05 -0.86 -1.70 116.97 116.58 2nwv h TYR 7 Ca 0.20 0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.05 2nwv h TYR 7 Cb 0.43 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 2nwv h TYR 7 CO 0.03 0.47 0.26 0.00 -1.05 0.00 0.00 178.16 177.87 2nwv h ARG 8 N 0.77 0.47 -0.56 4.88 3.08 -1.18 -0.78 114.38 121.06 2nwv h ARG 8 Ca 0.21 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 2nwv h ARG 8 Cb -0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2nwv h ARG 8 CO -0.04 0.31 0.20 0.87 -1.07 0.00 0.00 179.97 180.24 2nwv h LYS 9 N 0.49 0.86 -0.25 0.04 1.57 -1.32 -2.35 116.57 115.60 2nwv h LYS 9 Ca 0.26 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2nwv h LYS 9 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2nwv h LYS 9 CO -0.21 0.76 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.24 2nwv h LEU 10 N 0.78 0.55 -0.01 2.94 4.07 -1.01 -1.28 115.31 121.35 2nwv h LEU 10 Ca 0.18 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2nwv h LEU 10 Cb 0.25 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 2nwv h LEU 10 CO -0.01 0.84 0.01 0.40 -1.08 0.00 0.00 178.44 178.59 2nwv h ILE 11 N 0.26 1.01 -0.56 1.22 2.04 -1.14 0.72 117.51 121.06 2nwv h ILE 11 Ca 0.06 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2nwv h ILE 11 Cb 0.63 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2nwv h ILE 11 CO 0.04 0.01 0.30 0.11 0.00 0.00 0.00 178.15 178.61 2nwv h LYS 12 N 0.00 0.79 0.06 2.37 1.57 -1.41 -0.34 116.57 119.61 2nwv h LYS 12 Ca 0.00 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2nwv h LYS 12 Cb 0.01 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2nwv h LYS 12 CO -0.00 0.61 -0.16 0.37 -0.57 0.00 0.00 179.45 179.70 2nwv h GLN 13 N 0.75 -0.29 -0.47 3.15 4.15 -1.07 -0.81 115.11 120.52 2nwv h GLN 13 Ca 0.20 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 2nwv h GLN 13 Cb 0.06 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2nwv h GLN 13 CO -0.03 -0.19 0.28 0.28 -1.93 0.00 0.00 178.83 177.23 2nwv h VAL 14 N -0.30 1.15 -0.47 2.39 2.07 -0.68 -1.50 116.25 118.91 2nwv h VAL 14 Ca 0.04 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2nwv h VAL 14 Cb 0.34 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2nwv h VAL 14 CO -0.12 0.16 -0.11 -0.07 0.02 0.00 0.00 177.57 177.45 2nwv h LEU 15 N 0.62 0.85 -0.39 2.57 3.38 -0.92 -0.65 115.31 120.77 2nwv h LEU 15 Ca 0.17 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2nwv h LEU 15 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2nwv h LEU 15 CO -0.03 0.97 0.07 0.74 0.09 0.00 0.00 178.44 180.28 2nwv h THR 16 N 0.77 1.24 -0.37 0.22 2.02 -0.98 -0.68 112.91 115.13 2nwv h THR 16 Ca 0.13 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 2nwv h THR 16 Cb 0.62 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2nwv h THR 16 CO 0.04 0.29 -0.02 -0.33 0.37 0.00 0.00 175.52 175.87 2nwv h GLU 17 N 0.49 0.66 -0.68 6.66 5.08 -1.21 -2.14 114.58 123.45 2nwv h GLU 17 Ca 0.12 -0.22 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2nwv h GLU 17 Cb 0.35 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 2nwv h GLU 17 CO 0.01 0.78 0.34 1.88 -1.00 0.00 0.00 179.01 181.01 2nwv h TYR 18 N 0.47 0.61 -0.38 4.33 -1.99 -0.94 0.11 116.97 119.18 2nwv h TYR 18 Ca 0.10 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 2nwv h TYR 18 Cb 0.49 -0.17 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 2nwv h TYR 18 CO 0.04 0.23 0.21 0.22 -0.00 0.00 0.00 178.16 178.86 2nwv h ASP 19 N 0.59 0.48 -0.13 3.88 3.58 -0.97 0.67 116.42 124.53 2nwv h ASP 19 Ca 0.33 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 2nwv h ASP 19 Cb 0.32 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2nwv h ASP 19 CO -0.25 0.43 0.01 0.78 -2.88 0.00 0.00 179.24 177.33 2nwv h ASN 20 N 0.49 0.21 -0.85 2.28 2.35 -0.79 -3.12 115.58 116.15 2nwv h ASN 20 Ca 0.13 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2nwv h ASN 20 Cb 0.06 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 2nwv h ASN 20 CO -0.02 0.45 0.55 -0.07 -1.65 0.00 0.00 177.43 176.69 2nwv h LEU 21 N -0.03 0.98 -2.54 1.61 3.38 -0.66 -2.45 115.31 115.59 2nwv h LEU 21 Ca 0.04 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2nwv h LEU 21 Cb 0.33 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2nwv h LEU 21 CO 0.00 0.72 0.04 0.77 0.09 0.00 0.00 178.44 180.06 2nwv h SER 22 N 1.16 0.00 0.21 -0.43 4.64 -0.80 -1.72 113.55 116.61 2nwv h SER 22 Ca 0.31 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 2nwv h SER 22 Cb -0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2nwv h SER 22 CO -0.07 0.00 -0.05 0.03 -0.87 0.00 0.00 176.83 175.88 2nwv h ARG 23 N 0.00 0.00 -0.01 4.77 2.47 -1.50 -1.70 114.38 118.41 2nwv h ARG 23 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2nwv h ARG 23 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2nwv h ARG 23 CO -0.00 0.05 -0.01 1.04 0.56 0.00 0.00 179.97 181.61 2nwv n GLN 24 N -3.57 1.30 -1.81 0.04 6.02 -0.65 -4.95 117.38 113.76 2nwv n GLN 24 Ca -0.02 -0.48 -0.37 0.00 -0.01 0.00 0.00 57.00 56.12 2nwv n GLN 24 Cb 0.16 -1.49 0.06 0.00 1.02 0.00 0.00 30.24 29.99 2nwv n GLN 24 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2nwv s SER 25 N -2.03 4.75 0.15 1.08 0.15 -0.64 -4.92 113.70 112.23 2nwv s SER 25 Ca 0.42 2.57 -0.06 0.00 0.70 0.00 0.00 55.95 59.59 2nwv s SER 25 Cb 0.21 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 2nwv s SER 25 CO 0.36 -1.91 1.39 1.55 1.20 0.00 0.00 173.24 175.83 2nwv h PRO 26 N 0.63 0.56 -6.82 5.44 0.13 -1.92 -3.46 132.00 126.57 2nwv h PRO 26 Ca -0.51 -0.45 -0.57 0.00 -0.87 0.00 0.00 66.00 63.60 2nwv h PRO 26 Cb 1.33 0.09 0.16 0.00 0.13 0.00 0.00 31.00 32.71 2nwv h PRO 26 CO 0.54 1.08 0.14 0.39 -0.23 0.00 0.00 178.00 179.92 2nwv n GLU 27 N -3.88 0.97 -1.59 0.86 4.71 -1.26 -4.84 120.64 115.60 2nwv n GLU 27 Ca -0.05 0.37 -0.52 0.00 -0.01 0.00 0.00 57.16 56.95 2nwv n GLU 27 Cb 0.72 -2.17 -0.06 0.00 -1.01 0.00 0.00 31.44 28.92 2nwv n GLU 27 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2nwv n THR 28 N -1.58 0.01 -3.58 2.62 -1.04 -1.26 -4.94 114.28 104.50 2nwv n THR 28 Ca 0.13 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.76 2nwv n THR 28 Cb 0.46 -0.85 -0.11 0.00 -1.82 0.00 0.00 70.33 68.02 2nwv n THR 28 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2nwv s ASN 29 N 0.55 6.06 0.23 8.00 -0.87 -1.26 -5.08 114.94 122.57 2nwv s ASN 29 Ca 0.85 0.04 0.03 0.00 -1.57 0.00 0.00 52.86 52.20 2nwv s ASN 29 Cb -0.95 -2.13 -0.03 0.00 -0.02 0.00 0.00 41.25 38.12 2nwv s ASN 29 CO 0.47 -0.04 0.38 -0.31 -2.57 0.00 0.00 177.10 175.02 2nwv s TYR 30 N 1.67 3.47 0.42 2.20 2.02 -1.26 -5.08 117.35 120.79 2nwv s TYR 30 Ca 0.08 0.14 -0.26 0.00 -0.37 0.00 0.00 57.07 56.65 2nwv s TYR 30 Cb -0.16 -1.70 -0.10 0.00 -0.40 0.00 0.00 41.96 39.61 2nwv s TYR 30 CO 0.10 0.40 1.42 0.39 -1.57 0.00 0.00 175.55 176.29 2nwv n GLU 31 N -1.12 2.34 -4.43 -0.62 -0.58 -1.26 -4.92 120.64 110.06 2nwv n GLU 31 Ca -0.07 0.83 -0.21 0.00 -0.42 0.00 0.00 57.16 57.29 2nwv n GLU 31 Cb 0.56 -2.59 -0.10 0.00 -0.57 0.00 0.00 31.44 28.73 2nwv n GLU 31 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2nwv s THR 32 N -1.16 1.51 -0.12 2.62 -4.23 -1.26 -1.36 115.64 111.63 2nwv s THR 32 Ca 0.58 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.89 2nwv s THR 32 Cb -0.47 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 70.89 2nwv s THR 32 CO 0.60 -0.25 0.33 0.00 -0.54 0.00 0.00 174.62 174.76 2nwv s LEU 34 N 0.19 4.12 -0.28 0.00 1.43 -1.26 -0.75 118.68 122.14 2nwv s LEU 34 Ca -0.00 0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2nwv s LEU 34 Cb -0.02 -2.00 0.09 0.00 0.03 0.00 0.00 46.19 44.29 2nwv s LEU 34 CO 0.00 0.37 0.11 -0.69 0.23 0.00 0.00 176.35 176.37 2nwv s VAL 35 N -0.81 0.26 -0.21 -1.59 1.01 -0.03 -5.00 120.40 114.03 2nwv s VAL 35 Ca 0.13 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2nwv s VAL 35 Cb -0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2nwv s VAL 35 CO 0.03 -0.64 -0.06 -0.36 0.00 0.00 0.00 175.10 174.08 2nwv s PHE 36 N 1.94 2.94 -0.27 5.22 0.08 -1.26 -0.65 117.98 125.99 2nwv s PHE 36 Ca 0.08 -0.90 0.01 0.00 0.12 0.00 0.00 56.93 56.23 2nwv s PHE 36 Cb -0.16 -2.07 0.08 0.00 -0.57 0.00 0.00 43.02 40.30 2nwv s PHE 36 CO -0.29 -0.50 0.01 0.34 -0.10 0.00 0.00 175.22 174.68 2nwv s ASP 37 N 1.31 3.96 0.03 1.36 -1.08 0.32 -4.99 116.67 117.59 2nwv s ASP 37 Ca 0.04 -1.43 0.28 0.00 -0.52 0.00 0.00 52.55 50.91 2nwv s ASP 37 Cb -0.14 -1.11 1.07 0.00 -1.46 0.00 0.00 42.92 41.28 2nwv s ASP 37 CO -0.03 -0.32 1.83 -0.62 0.52 0.00 0.00 175.17 176.55 2nwv n GLU 38 N 4.69 0.04 -0.03 4.34 1.02 -1.26 -0.19 120.64 129.24 2nwv n GLU 38 Ca -0.06 0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 56.91 2nwv n GLU 38 Cb 0.43 -1.54 -0.13 0.00 -0.02 0.00 0.00 31.44 30.18 2nwv n GLU 38 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2nwv h ASN 39 N 0.00 0.19 0.72 1.62 4.21 -1.95 -3.33 115.58 117.04 2nwv h ASN 39 Ca 0.00 -0.84 0.00 0.00 1.21 0.00 0.00 56.30 56.67 2nwv h ASN 39 Cb 0.53 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 2nwv h ASN 39 CO 0.00 1.36 -0.19 1.41 -1.29 0.00 0.00 177.43 178.72 2nwv n HIS 40 N -4.28 0.00 -3.67 1.19 8.25 -1.25 -4.97 115.22 110.49 2nwv n HIS 40 Ca -0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.05 2nwv n HIS 40 Cb 0.71 -0.36 0.04 0.00 1.12 0.00 0.00 29.99 31.50 2nwv n HIS 40 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2nwv n ASP 41 N -1.40 -1.64 -4.27 0.41 8.00 0.74 -4.84 116.55 113.55 2nwv n ASP 41 Ca 0.08 -0.78 -0.29 0.00 0.71 0.00 0.00 54.79 54.51 2nwv n ASP 41 Cb 0.33 -4.23 -0.16 0.00 -0.02 0.00 0.00 41.12 37.03 2nwv n ASP 41 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2nwv s ASN 42 N -4.27 2.74 -0.06 -2.24 0.01 -0.66 -1.21 114.94 109.25 2nwv s ASN 42 Ca 0.06 -0.42 -0.01 0.00 -0.71 0.00 0.00 52.86 51.77 2nwv s ASN 42 Cb -0.03 -0.30 0.03 0.00 0.41 0.00 0.00 41.25 41.36 2nwv s ASN 42 CO 0.80 0.29 0.02 -0.31 -1.51 0.00 0.00 177.10 176.38 2nwv s TYR 43 N -0.55 0.49 0.09 2.20 2.02 0.27 -0.52 117.35 121.35 2nwv s TYR 43 Ca 0.09 -0.05 0.07 0.00 -0.37 0.00 0.00 57.07 56.81 2nwv s TYR 43 Cb -0.09 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 2nwv s TYR 43 CO -0.01 -0.28 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.01 2nwv s LEU 44 N 1.93 2.30 -0.17 -1.29 1.02 0.18 -0.67 118.68 121.98 2nwv s LEU 44 Ca 0.03 -0.67 0.00 0.00 0.02 0.00 0.00 54.13 53.52 2nwv s LEU 44 Cb -0.12 -0.72 0.03 0.00 0.02 0.00 0.00 46.19 45.40 2nwv s LEU 44 CO -0.04 -0.01 -0.10 0.86 0.02 0.00 0.00 176.35 177.08 2nwv s TRP 45 N -1.29 2.11 0.14 0.29 -0.00 -0.42 -0.85 118.94 118.93 2nwv s TRP 45 Ca 0.03 -1.30 0.10 0.00 -0.00 0.00 0.00 56.10 54.93 2nwv s TRP 45 Cb -0.10 -1.52 -0.04 0.00 -0.00 0.00 0.00 33.47 31.81 2nwv s TRP 45 CO 0.03 -0.68 -0.23 -0.51 -0.00 0.00 0.00 176.95 175.57 2nwv s LEU 46 N 1.50 2.35 -0.18 5.86 1.43 0.07 -0.57 118.68 129.14 2nwv s LEU 46 Ca 0.01 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.28 2nwv s LEU 46 Cb -0.15 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.00 2nwv s LEU 46 CO -0.09 0.10 0.06 0.00 0.23 0.00 0.00 176.35 176.64 2nwv s ALA 47 N -1.34 3.38 -0.27 4.21 0.00 0.03 -0.46 121.76 127.31 2nwv s ALA 47 Ca 0.13 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 2nwv s ALA 47 Cb -0.09 -1.91 0.12 0.00 0.00 0.00 0.00 23.12 21.24 2nwv s ALA 47 CO 0.06 0.16 0.24 0.08 0.00 0.00 0.00 175.76 176.30 2nwv s VAL 48 N 0.41 -0.31 0.27 0.00 1.01 -0.46 -1.85 120.40 119.47 2nwv s VAL 48 Ca 0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 2nwv s VAL 48 Cb -0.13 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.38 2nwv s VAL 48 CO 0.00 -0.48 0.70 -0.67 0.00 0.00 0.00 175.10 174.65 2nwv n ASP 49 N 5.30 -1.74 -4.16 3.32 -0.08 0.19 -4.33 116.55 115.05 2nwv n ASP 49 Ca -0.04 -2.14 -0.24 0.00 -1.51 0.00 0.00 54.79 50.87 2nwv n ASP 49 Cb 0.46 2.88 -0.15 0.00 2.34 0.00 0.00 41.12 46.65 2nwv n ASP 49 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 2nwv s TRP 50 N -3.30 1.53 -0.43 -0.67 0.52 -1.26 -1.17 118.94 114.16 2nwv s TRP 50 Ca 0.14 -0.30 0.04 0.00 0.02 0.00 0.00 56.10 56.00 2nwv s TRP 50 Cb -0.04 -0.97 0.12 0.00 -1.15 0.00 0.00 33.47 31.43 2nwv s TRP 50 CO 0.08 -0.01 0.16 -1.14 0.02 0.00 0.00 176.95 176.06 2nwv s GLN 51 N -0.52 1.67 5.16 4.98 2.00 0.26 -4.91 119.66 128.31 2nwv s GLN 51 Ca 0.06 -2.21 0.00 0.00 -2.00 0.00 0.00 55.36 51.22 2nwv s GLN 51 Cb -0.07 -3.17 0.00 0.00 0.80 0.00 0.00 33.01 30.57 2nwv s GLN 51 CO -0.00 -1.03 0.00 0.41 -0.50 0.00 0.00 175.29 174.16 2nwv n GLY 52 N 3.70 3.00 1.08 2.59 0.00 -1.26 -1.24 105.19 113.06 2nwv n GLY 52 Ca 0.04 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2nwv n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2nwv n SER 53 N 7.78 3.24 -4.68 1.61 7.64 -1.26 -4.88 113.62 123.06 2nwv n SER 53 Ca 0.00 -1.97 -0.41 0.00 1.01 0.00 0.00 58.87 57.50 2nwv n SER 53 Cb 0.00 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 2nwv n SER 53 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2nwv s LYS 54 N -1.60 4.35 -0.08 1.43 2.20 -0.37 -5.04 119.74 120.64 2nwv s LYS 54 Ca 0.37 1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 56.69 2nwv s LYS 54 Cb 0.22 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 2nwv s LYS 54 CO 0.31 -0.22 1.11 0.50 -0.36 0.00 0.00 175.35 176.69 2nwv s ARG 55 N 1.76 4.39 -0.37 4.03 6.06 -1.26 -0.57 118.95 132.99 2nwv s ARG 55 Ca 0.39 1.54 -0.13 0.00 -2.50 0.00 0.00 55.73 55.03 2nwv s ARG 55 Cb -0.17 -3.55 0.00 0.00 0.06 0.00 0.00 34.95 31.30 2nwv s ARG 55 CO 0.15 -0.38 0.24 0.42 -2.50 0.00 0.00 175.30 173.23 2nwv s ILE 56 N 2.10 5.06 -0.34 4.11 -1.09 -0.32 -4.93 121.20 125.79 2nwv s ILE 56 Ca 0.52 -0.51 0.04 0.00 -2.23 0.00 0.00 60.65 58.47 2nwv s ILE 56 Cb -0.22 -3.71 0.16 0.00 -1.58 0.00 0.00 42.46 37.12 2nwv s ILE 56 CO 0.20 -0.14 0.45 -0.75 -1.23 0.00 0.00 174.94 173.47 2nwv s LYS 57 N 1.66 0.57 0.25 2.79 2.47 -1.25 -0.63 119.74 125.60 2nwv s LYS 57 Ca 0.05 -0.25 -0.10 0.00 -1.56 0.00 0.00 55.97 54.10 2nwv s LYS 57 Cb -0.18 -0.34 -0.01 0.00 -1.46 0.00 0.00 37.83 35.84 2nwv s LYS 57 CO 0.09 -1.12 0.43 1.52 0.16 0.00 0.00 175.35 176.43 2nwv s TYR 58 N 2.06 0.56 -0.24 4.03 -0.85 -0.77 -5.01 117.35 117.13 2nwv s TYR 58 Ca 0.13 -0.89 -0.06 0.00 -0.52 0.00 0.00 57.07 55.73 2nwv s TYR 58 Cb -0.12 0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.26 2nwv s TYR 58 CO -0.17 -0.96 0.02 0.99 -1.52 0.00 0.00 175.55 173.91 2nwv s THR 59 N -3.91 3.90 0.01 -3.49 2.01 -1.26 -0.79 115.64 112.12 2nwv s THR 59 Ca 0.26 -0.31 -0.21 0.00 0.31 0.00 0.00 61.69 61.74 2nwv s THR 59 Cb 0.00 -2.80 -0.20 0.00 0.01 0.00 0.00 72.50 69.51 2nwv s THR 59 CO 0.11 0.38 1.17 1.88 -0.69 0.00 0.00 174.62 177.46 2nwv h TYR 60 N 8.15 0.49 -2.97 4.92 0.05 -1.19 -3.43 116.97 123.00 2nwv h TYR 60 Ca -0.40 -0.22 -0.18 0.00 0.05 0.00 0.00 58.73 57.98 2nwv h TYR 60 Cb 1.17 -0.07 -0.29 0.00 1.01 0.00 0.00 36.73 38.55 2nwv h TYR 60 CO 0.63 0.98 -0.44 0.08 -1.05 0.00 0.00 178.16 178.37 2nwv s VAL 61 N -3.55 -0.03 -0.13 -2.88 1.01 -1.05 -0.21 120.40 113.56 2nwv s VAL 61 Ca -0.14 0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2nwv s VAL 61 Cb 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 36.02 2nwv s VAL 61 CO 0.78 0.05 -0.13 -2.28 0.00 0.00 0.00 175.10 173.52 2nwv s HIS 62 N 1.11 2.00 0.02 5.22 2.46 -0.14 -1.30 115.29 124.66 2nwv s HIS 62 Ca -0.08 -1.06 0.08 0.00 0.47 0.00 0.00 55.06 54.47 2nwv s HIS 62 Cb -0.09 -1.49 -0.03 0.00 -0.13 0.00 0.00 32.58 30.85 2nwv s HIS 62 CO -0.08 -0.59 -0.24 0.42 -2.47 0.00 0.00 174.74 171.78 2nwv s ILE 63 N 1.39 2.27 -0.02 0.89 1.01 0.15 -0.51 121.20 126.39 2nwv s ILE 63 Ca 0.02 -1.23 0.05 0.00 0.00 0.00 0.00 60.65 59.49 2nwv s ILE 63 Cb -0.13 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2nwv s ILE 63 CO -0.08 0.44 -0.17 -0.60 0.00 0.00 0.00 174.94 174.53 2nwv s ARG 64 N -1.05 1.51 -0.28 2.79 3.52 -0.05 -0.57 118.95 124.83 2nwv s ARG 64 Ca 0.12 -0.62 -0.15 0.00 -0.13 0.00 0.00 55.73 54.94 2nwv s ARG 64 Cb -0.10 -1.42 -0.03 0.00 -1.56 0.00 0.00 34.95 31.84 2nwv s ARG 64 CO 0.02 0.35 0.40 0.42 -0.81 0.00 0.00 175.30 175.67 2nwv s ILE 65 N -0.30 5.15 -0.11 4.11 1.01 -0.35 -0.21 121.20 130.50 2nwv s ILE 65 Ca 0.04 0.58 -0.09 0.00 0.00 0.00 0.00 60.65 61.17 2nwv s ILE 65 Cb -0.08 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.69 2nwv s ILE 65 CO -0.00 0.12 0.29 -0.75 0.00 0.00 0.00 174.94 174.60 2nwv s LYS 66 N 2.11 0.32 -1.60 2.79 2.20 -0.83 -4.81 119.74 119.93 2nwv s LYS 66 Ca 0.16 0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 56.19 2nwv s LYS 66 Cb -0.16 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 2nwv s LYS 66 CO 0.10 -0.06 0.17 0.09 -0.36 0.00 0.00 175.35 175.29 2nwv n ASN 67 N 3.14 -5.56 -1.08 1.43 3.02 -1.26 -1.34 115.26 113.60 2nwv n ASN 67 Ca -0.15 -0.06 -0.13 0.00 -0.03 0.00 0.00 54.58 54.21 2nwv n ASN 67 Cb 0.57 -4.61 -0.05 0.00 -0.61 0.00 0.00 39.78 35.09 2nwv n ASN 67 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2nwv n GLU 68 N -3.26 -0.94 -4.28 3.52 1.02 -1.26 -4.98 120.64 110.45 2nwv n GLU 68 Ca -0.19 0.93 -0.15 0.00 -0.02 0.00 0.00 57.16 57.73 2nwv n GLU 68 Cb 0.65 -5.02 -0.10 0.00 -0.02 0.00 0.00 31.44 26.96 2nwv n GLU 68 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2nwv s LYS 69 N -3.31 1.27 -0.50 3.49 1.02 -0.45 -4.85 119.74 116.41 2nwv s LYS 69 Ca 0.00 -1.65 -0.18 0.00 0.02 0.00 0.00 55.97 54.16 2nwv s LYS 69 Cb 0.00 -0.31 0.06 0.00 -0.52 0.00 0.00 37.83 37.06 2nwv s LYS 69 CO 0.00 -0.20 0.57 0.42 -0.92 0.00 0.00 175.35 175.22 2nwv s ILE 70 N -3.67 4.96 -0.40 2.17 1.01 0.37 -1.97 121.20 123.67 2nwv s ILE 70 Ca 0.30 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 2nwv s ILE 70 Cb 0.07 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.30 2nwv s ILE 70 CO 0.09 -0.75 0.60 -0.31 0.00 0.00 0.00 174.94 174.57 2nwv s TYR 71 N 2.40 3.12 -0.59 3.97 1.51 0.71 -0.36 117.35 128.10 2nwv s TYR 71 Ca 0.13 0.06 -0.22 0.00 -1.01 0.00 0.00 57.07 56.02 2nwv s TYR 71 Cb -0.20 -3.18 0.06 0.00 -0.11 0.00 0.00 41.96 38.53 2nwv s TYR 71 CO 0.11 -0.74 0.90 0.42 -1.11 0.00 0.00 175.55 175.13 2nwv s ILE 72 N 2.65 4.45 -0.11 2.71 1.01 0.20 -0.87 121.20 131.23 2nwv s ILE 72 Ca 0.21 -0.18 0.14 0.00 0.00 0.00 0.00 60.65 60.83 2nwv s ILE 72 Cb -0.15 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 37.73 2nwv s ILE 72 CO 0.16 -1.23 1.27 -0.33 0.00 0.00 0.00 174.94 174.82 2nwv h GLU 73 N 9.38 0.00 -1.82 2.79 4.39 -1.09 0.07 114.58 128.29 2nwv h GLU 73 Ca -0.28 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.45 2nwv h GLU 73 Cb 1.08 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.49 2nwv h GLU 73 CO 1.11 0.51 0.22 -2.00 -1.16 0.00 0.00 179.01 177.70 2nwv s GLU 74 N -2.92 0.64 -0.29 2.33 2.12 -0.99 -3.85 118.70 115.74 2nwv s GLU 74 Ca 0.02 0.91 0.02 0.00 0.36 0.00 0.00 54.97 56.28 2nwv s GLU 74 Cb 0.08 0.23 0.19 0.00 0.26 0.00 0.00 34.13 34.89 2nwv s GLU 74 CO 0.77 -0.10 0.58 0.34 -0.54 0.00 0.00 175.26 176.31 2nwv s ASP 75 N 0.89 -1.41 -0.17 -1.70 -1.08 -1.25 -0.97 116.67 110.98 2nwv s ASP 75 Ca -0.04 0.49 0.16 0.00 -0.52 0.00 0.00 52.55 52.64 2nwv s ASP 75 Cb -0.05 2.05 0.67 0.00 -1.46 0.00 0.00 42.92 44.13 2nwv s ASP 75 CO -0.10 -0.28 1.59 -1.22 0.52 0.00 0.00 175.17 175.68 2nwv n TYR 76 N 5.42 1.47 -2.28 -5.34 4.01 0.70 -5.01 117.16 116.14 2nwv n TYR 76 Ca 0.02 -0.73 -0.34 0.00 -0.16 0.00 0.00 57.90 56.69 2nwv n TYR 76 Cb 0.52 -0.35 -0.01 0.00 -0.31 0.00 0.00 39.34 39.20 2nwv n TYR 76 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2nwv s THR 77 N -2.43 3.66 0.06 -0.72 -4.23 -1.26 -4.98 115.64 105.74 2nwv s THR 77 Ca 0.48 0.93 -0.23 0.00 -1.18 0.00 0.00 61.69 61.69 2nwv s THR 77 Cb 0.35 -3.38 -0.15 0.00 1.34 0.00 0.00 72.50 70.67 2nwv s THR 77 CO 0.16 -0.32 1.58 -0.08 -0.54 0.00 0.00 174.62 175.42 2nwv h GLU 78 N 1.02 0.09 0.00 3.99 4.57 -1.99 -3.27 114.58 118.99 2nwv h GLU 78 Ca -0.49 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 57.47 2nwv h GLU 78 Cb 1.23 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.77 2nwv h GLU 78 CO 0.58 0.23 -1.39 0.93 -1.18 0.00 0.00 179.01 178.18 2nwv h GLU 79 N -0.08 0.00 0.00 1.92 3.07 -2.01 -3.50 114.58 113.98 2nwv h GLU 79 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2nwv h GLU 79 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 2nwv h GLU 79 CO -0.00 0.46 0.00 0.41 -1.40 0.00 0.00 179.01 178.48 2nwv n GLY 80 N 1.43 2.28 0.22 -3.84 0.00 -1.23 -4.62 105.19 99.43 2nwv n GLY 80 Ca -0.10 -1.44 0.09 0.00 0.00 0.00 0.00 46.02 44.57 2nwv n GLY 80 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2nwv h ILE 81 N 0.00 0.74 -0.85 -0.61 2.10 -1.95 -2.72 117.51 114.21 2nwv h ILE 81 Ca 0.00 -1.03 0.09 0.00 1.08 0.00 0.00 64.86 65.00 2nwv h ILE 81 Cb 0.00 1.64 -0.07 0.00 -1.09 0.00 0.00 36.82 37.30 2nwv h ILE 81 CO 0.00 0.24 0.51 0.00 -1.08 0.00 0.00 178.15 177.82 2nwv h ALA 82 N 1.75 1.21 -0.71 0.18 0.00 -1.99 -1.06 119.26 118.64 2nwv h ALA 82 Ca -0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2nwv h ALA 82 Cb 0.62 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2nwv h ALA 82 CO 0.03 0.17 0.43 1.15 0.00 0.00 0.00 179.25 181.03 2nwv h THR 83 N 0.87 1.05 -0.31 0.00 2.02 -1.74 -2.76 112.91 112.04 2nwv h THR 83 Ca 0.40 -0.28 -0.16 0.00 0.77 0.00 0.00 66.41 67.15 2nwv h THR 83 Cb 0.32 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2nwv h THR 83 CO -0.23 0.15 -0.43 -0.08 0.37 0.00 0.00 175.52 175.30 2nwv h GLU 84 N 0.82 0.78 -1.06 6.66 4.57 -1.40 -2.11 114.58 122.83 2nwv h GLU 84 Ca 0.30 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2nwv h GLU 84 Cb 0.09 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2nwv h GLU 84 CO -0.14 1.05 0.00 1.28 -1.18 0.00 0.00 179.01 180.02 2nwv n LEU 85 N -4.03 0.31 0.00 1.64 4.77 -0.48 -1.72 117.00 117.49 2nwv n LEU 85 Ca -0.02 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2nwv n LEU 85 Cb 0.55 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2nwv n LEU 85 CO 0.48 0.06 0.00 -1.14 -1.33 0.00 0.00 177.39 175.45 2nwv n ARG 87 N 0.69 0.00 -0.04 3.23 0.63 -0.80 -1.69 116.66 118.68 2nwv n ARG 87 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 2nwv n ARG 87 Cb 0.06 0.00 0.46 0.00 0.45 0.00 0.00 32.46 33.43 2nwv n ARG 87 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2nwv n LEU 88 N 0.00 0.95 0.00 6.15 4.77 -0.70 -4.91 117.00 123.27 2nwv n LEU 88 Ca 0.00 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2nwv n LEU 88 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2nwv n LEU 88 CO 0.00 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2nwv n GLY 89 N 0.99 0.77 3.71 -0.72 0.00 -0.85 -5.07 105.19 104.03 2nwv n GLY 89 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2nwv n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nwv s VAL 90 N -2.00 4.19 0.47 1.61 1.01 -0.69 -5.01 120.40 119.99 2nwv s VAL 90 Ca 0.00 1.59 -0.21 0.00 0.00 0.00 0.00 61.98 63.36 2nwv s VAL 90 Cb 0.00 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 2nwv s VAL 90 CO 0.00 0.13 1.07 0.28 0.00 0.00 0.00 175.10 176.58 2nwv s THR 91 N 0.97 3.59 0.48 3.92 -1.32 -1.26 -4.82 115.64 117.20 2nwv s THR 91 Ca 0.57 1.06 0.20 0.00 -1.21 0.00 0.00 61.69 62.31 2nwv s THR 91 Cb -0.28 -3.47 0.25 0.00 -1.51 0.00 0.00 72.50 67.49 2nwv s THR 91 CO 0.29 -0.15 2.08 0.78 -2.21 0.00 0.00 174.62 175.42 2nwv h ASN 92 N 1.76 0.00 0.70 8.08 4.21 -1.93 -1.31 115.58 127.08 2nwv h ASN 92 Ca -0.49 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.02 2nwv h ASN 92 Cb 1.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 2nwv h ASN 92 CO 0.59 0.10 0.00 -3.20 -1.29 0.00 0.00 177.43 173.64 2nwv n ASN 93 N -4.15 0.54 -1.23 5.81 5.15 -1.26 -2.35 115.26 117.77 2nwv n ASN 93 Ca -0.03 0.63 0.09 0.00 -0.60 0.00 0.00 54.58 54.68 2nwv n ASN 93 Cb 0.19 -0.75 0.29 0.00 -0.53 0.00 0.00 39.78 38.98 2nwv n ASN 93 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2nwv n ASP 94 N -2.10 3.99 -4.21 1.20 9.92 -0.50 -4.62 116.55 120.24 2nwv n ASP 94 Ca 0.02 -2.23 -0.31 0.00 -0.53 0.00 0.00 54.79 51.74 2nwv n ASP 94 Cb 0.22 -0.46 -0.17 0.00 -0.64 0.00 0.00 41.12 40.07 2nwv n ASP 94 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2nwv s ILE 95 N -1.42 1.98 -0.16 0.53 1.01 -0.99 -0.48 121.20 121.67 2nwv s ILE 95 Ca 0.43 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 60.12 2nwv s ILE 95 Cb 0.26 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 41.03 2nwv s ILE 95 CO 0.24 0.54 -0.21 -0.69 0.00 0.00 0.00 174.94 174.83 2nwv s VAL 96 N 0.29 2.06 -1.27 2.92 1.01 0.51 -1.57 120.40 124.36 2nwv s VAL 96 Ca -0.16 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.68 2nwv s VAL 96 Cb -0.17 -1.84 0.09 0.00 0.00 0.00 0.00 36.38 34.46 2nwv s VAL 96 CO 0.08 0.55 1.66 -0.76 0.00 0.00 0.00 175.10 176.62 2nwv s LEU 97 N 1.00 4.08 0.13 3.92 1.43 -1.26 -0.63 118.68 127.35 2nwv s LEU 97 Ca -0.02 -2.51 0.22 0.00 -1.03 0.00 0.00 54.13 50.79 2nwv s LEU 97 Cb -0.15 -2.54 0.88 0.00 0.03 0.00 0.00 46.19 44.42 2nwv s LEU 97 CO -0.06 -1.10 1.69 0.00 0.23 0.00 0.00 176.35 177.10 2nwv n ALA 98 N 7.85 1.89 0.66 4.21 0.00 -0.05 -1.29 120.51 133.78 2nwv n ALA 98 Ca 0.46 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.99 2nwv n ALA 98 Cb 0.46 -1.37 0.44 0.00 0.00 0.00 0.00 19.45 18.97 2nwv n ALA 98 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2nwv n PHE 99 N -1.90 0.15 -3.52 0.00 1.16 -0.85 -4.68 117.46 107.84 2nwv n PHE 99 Ca 0.04 0.05 -0.35 0.00 -1.87 0.00 0.00 57.45 55.32 2nwv n PHE 99 Cb 0.27 -0.59 -0.06 0.00 -1.61 0.00 0.00 39.48 37.49 2nwv n PHE 99 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 2nwv s HIS 100 N -3.04 3.61 0.23 2.97 3.76 -0.41 -5.05 115.29 117.36 2nwv s HIS 100 Ca 0.09 0.88 -0.31 0.00 -0.15 0.00 0.00 55.06 55.57 2nwv s HIS 100 Cb 0.13 -2.22 -0.14 0.00 1.11 0.00 0.00 32.58 31.46 2nwv s HIS 100 CO 0.39 0.51 1.34 -2.30 -0.85 0.00 0.00 174.74 173.84 2nwv n PRO 101 N 0.99 1.85 -0.31 8.40 -0.02 -1.26 -4.86 135.00 139.79 2nwv n PRO 101 Ca -0.08 0.66 0.16 0.00 -2.02 0.00 0.00 63.50 62.21 2nwv n PRO 101 Cb 0.52 -2.27 0.33 0.00 -0.02 0.00 0.00 33.50 32.06 2nwv n PRO 101 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2nwv h PRO 102 N 3.90 0.16 0.00 0.52 0.11 -1.93 -1.42 132.00 133.35 2nwv h PRO 102 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2nwv h PRO 102 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2nwv h PRO 102 CO 0.73 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 2nwv n ASP 103 N -5.26 0.00 -0.09 -2.05 5.68 -1.26 -2.60 116.55 110.97 2nwv n ASP 103 Ca 0.24 -0.12 0.06 0.00 -0.50 0.00 0.00 54.79 54.47 2nwv n ASP 103 Cb 0.77 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 40.48 2nwv n ASP 103 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2nwv n VAL 104 N -1.21 0.00 0.14 2.12 0.24 -0.54 -4.68 118.33 114.40 2nwv n VAL 104 Ca 0.10 -0.24 0.03 0.00 -2.04 0.00 0.00 64.34 62.19 2nwv n VAL 104 Cb 0.12 1.04 0.42 0.00 -1.47 0.00 0.00 33.84 33.96 2nwv n VAL 104 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2nwv h ARG 105 N 0.42 0.20 0.00 7.34 3.08 -1.51 -0.65 114.38 123.26 2nwv h ARG 105 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2nwv h ARG 105 Cb 0.35 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2nwv h ARG 105 CO 0.00 0.32 0.00 1.57 -1.07 0.00 0.00 179.97 180.79 2nwv h LYS 106 N 0.19 0.00 -0.01 0.04 2.10 -1.83 -1.56 116.57 115.50 2nwv h LYS 106 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2nwv h LYS 106 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2nwv h LYS 106 CO 0.02 0.00 -0.23 1.19 -2.00 0.00 0.00 179.45 178.43 2nwv n PHE 107 N -2.31 0.00 -3.01 0.07 3.72 -0.25 -4.93 117.46 110.75 2nwv n PHE 107 Ca -0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.20 2nwv n PHE 107 Cb 0.09 -0.07 0.05 0.00 -0.94 0.00 0.00 39.48 38.61 2nwv n PHE 107 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2nwv s THR 108 N -2.37 2.39 -2.02 4.37 -4.23 -0.59 -5.02 115.64 108.18 2nwv s THR 108 Ca 0.26 -0.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.86 2nwv s THR 108 Cb 0.19 -2.41 0.20 0.00 1.34 0.00 0.00 72.50 71.82 2nwv s THR 108 CO 0.48 0.00 1.21 0.47 -0.54 0.00 0.00 174.62 176.24 2nwv n ASP 109 N -2.15 0.70 -4.68 3.99 8.00 -1.26 -4.92 116.55 116.24 2nwv n ASP 109 Ca 0.13 -1.90 -0.28 0.00 0.71 0.00 0.00 54.79 53.45 2nwv n ASP 109 Cb 0.61 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.53 2nwv n ASP 109 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2nwv s PHE 110 N -1.84 2.37 0.55 1.24 0.08 -1.26 -4.81 117.98 114.31 2nwv s PHE 110 Ca 0.13 -0.72 -0.21 0.00 0.12 0.00 0.00 56.93 56.25 2nwv s PHE 110 Cb 0.07 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 2nwv s PHE 110 CO 0.10 0.33 1.26 0.00 -0.10 0.00 0.00 175.22 176.81 2nwv s ALA 111 N -2.73 2.71 0.13 5.36 0.00 -0.61 -4.77 121.76 121.85 2nwv s ALA 111 Ca 0.30 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 53.35 2nwv s ALA 111 Cb 0.07 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 2nwv s ALA 111 CO 0.16 -1.17 1.30 1.15 0.00 0.00 0.00 175.76 177.19 2nwv h THR 112 N 1.26 1.42 0.00 0.00 2.02 -1.87 -3.39 112.91 112.34 2nwv h THR 112 Ca -0.50 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.17 2nwv h THR 112 Cb 1.29 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2nwv h THR 112 CO 0.57 0.75 0.00 0.00 0.37 0.00 0.00 175.52 177.20