#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnx h PRO 7 N 0.00 0.50 -0.38 -0.78 0.11 -2.03 -0.69 132.00 128.72 2wnx h PRO 7 Ca 0.00 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 2wnx h PRO 7 Cb 0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 2wnx h PRO 7 CO 0.00 0.33 -0.25 -0.44 -0.21 0.00 0.00 178.00 177.43 2wnx h ASP 8 N 0.52 0.80 -0.93 -2.05 3.45 -2.03 -2.91 116.42 113.27 2wnx h ASP 8 Ca 0.49 -0.30 0.05 0.00 0.43 0.00 0.00 57.03 57.71 2wnx h ASP 8 Cb 0.81 -0.22 -0.06 0.00 -0.56 0.00 0.00 39.33 39.30 2wnx h ASP 8 CO -0.43 1.01 0.61 0.00 -1.57 0.00 0.00 179.24 178.86 2wnx h ALA 9 N 1.04 1.46 0.00 3.45 0.00 -1.63 -3.00 119.26 120.59 2wnx h ALA 9 Ca 0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2wnx h ALA 9 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2wnx h ALA 9 CO 0.06 0.42 -0.69 -0.91 0.00 0.00 0.00 179.25 178.13 2wnx h ASN 10 N 1.10 0.00 -3.25 0.00 -0.26 -1.10 -3.46 115.58 108.62 2wnx h ASN 10 Ca 0.39 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 55.56 2wnx h ASN 10 Cb 0.13 0.00 0.12 0.00 -1.06 0.00 0.00 38.32 37.51 2wnx h ASN 10 CO -0.14 0.69 0.37 0.00 -1.06 0.00 0.00 177.43 177.30 2wnx n ALA 11 N -2.41 0.86 -3.19 -0.83 0.00 -1.13 -4.80 120.51 109.01 2wnx n ALA 11 Ca -0.01 0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.60 2wnx n ALA 11 Cb 0.68 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.83 2wnx n ALA 11 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wnx s SER 12 N -0.53 -0.26 0.05 0.00 1.04 -1.26 -4.98 113.70 107.76 2wnx s SER 12 Ca 0.60 0.44 -0.00 0.00 0.48 0.00 0.00 55.95 57.47 2wnx s SER 12 Cb -0.56 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 2wnx s SER 12 CO 0.59 -0.19 -0.04 0.27 0.98 0.00 0.00 173.24 174.86 2wnx s ILE 13 N -0.23 0.29 0.21 -1.02 -4.36 -1.26 -1.63 121.20 113.20 2wnx s ILE 13 Ca -0.04 -1.55 0.05 0.00 -0.26 0.00 0.00 60.65 58.85 2wnx s ILE 13 Cb -0.03 -1.16 -0.05 0.00 1.25 0.00 0.00 42.46 42.47 2wnx s ILE 13 CO 0.01 -0.81 -0.05 -0.94 0.24 0.00 0.00 174.94 173.39 2wnx s SER 14 N -2.48 1.99 -0.02 4.36 1.04 -0.13 -4.49 113.70 113.98 2wnx s SER 14 Ca 0.01 -1.13 0.04 0.00 0.48 0.00 0.00 55.95 55.34 2wnx s SER 14 Cb 0.02 -0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 2wnx s SER 14 CO -0.06 -0.41 -0.13 -0.69 0.98 0.00 0.00 173.24 172.93 2wnx s VAL 15 N -3.30 1.03 0.22 5.02 1.01 -1.26 -0.96 120.40 122.16 2wnx s VAL 15 Ca 0.24 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.79 2wnx s VAL 15 Cb 0.04 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2wnx s VAL 15 CO 0.06 0.30 -0.07 -0.94 0.00 0.00 0.00 175.10 174.46 2wnx s SER 16 N -0.11 4.32 -0.01 3.32 1.04 -0.32 -4.47 113.70 117.46 2wnx s SER 16 Ca 0.01 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 2wnx s SER 16 Cb -0.07 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.31 2wnx s SER 16 CO 0.00 0.06 0.06 -0.47 0.98 0.00 0.00 173.24 173.86 2wnx s TYR 17 N -2.02 0.01 -0.08 5.02 5.04 -0.22 -1.11 117.35 123.99 2wnx s TYR 17 Ca 0.28 -0.01 -0.00 0.00 -2.44 0.00 0.00 57.07 54.90 2wnx s TYR 17 Cb -0.08 -0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.23 2wnx s TYR 17 CO 0.17 -0.10 -0.05 0.21 -1.34 0.00 0.00 175.55 174.44 2wnx s LYS 18 N -0.47 1.07 0.12 4.97 2.20 -0.36 -0.54 119.74 126.74 2wnx s LYS 18 Ca -0.05 -0.11 -0.31 0.00 -0.36 0.00 0.00 55.97 55.14 2wnx s LYS 18 Cb -0.03 -1.20 -0.09 0.00 -1.51 0.00 0.00 37.83 35.00 2wnx s LYS 18 CO 0.00 -0.22 1.47 0.00 -0.36 0.00 0.00 175.35 176.24 2wnx n GLY 20 N 3.63 -0.84 3.92 0.00 0.00 -0.23 -4.47 105.19 107.19 2wnx n GLY 20 Ca 0.13 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 2wnx n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wnx s VAL 21 N -0.53 5.07 0.05 1.61 -7.23 -1.26 -4.95 120.40 113.16 2wnx s VAL 21 Ca 0.00 -0.21 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 2wnx s VAL 21 Cb 0.00 -3.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.11 2wnx s VAL 21 CO 0.00 -0.45 -0.05 -1.59 -0.31 0.00 0.00 175.10 172.70 2wnx s LYS 22 N -3.95 0.54 0.00 4.82 -2.85 -1.26 -4.50 119.74 112.54 2wnx s LYS 22 Ca 0.42 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 2wnx s LYS 22 Cb -0.10 -0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.64 2wnx s LYS 22 CO 0.34 -0.03 0.00 -3.47 0.10 0.00 0.00 175.35 172.28 2wnx n ASP 23 N 0.88 0.00 0.00 0.03 -0.08 -1.26 -5.06 116.55 111.06 2wnx n ASP 23 Ca -0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 2wnx n ASP 23 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2wnx n ASP 23 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2wnx n GLY 24 N 5.00 -0.00 0.25 0.27 0.00 -1.26 -4.55 105.19 104.90 2wnx n GLY 24 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2wnx n GLY 24 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wnx h THR 25 N 0.00 1.22 -2.77 2.61 1.35 -2.03 -3.47 112.91 109.82 2wnx h THR 25 Ca 0.00 -1.00 -0.40 0.00 -0.55 0.00 0.00 66.41 64.47 2wnx h THR 25 Cb 0.77 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 2wnx h THR 25 CO 0.00 0.32 -0.51 0.29 -0.25 0.00 0.00 175.52 175.37 2wnx n LYS 26 N -4.21 -1.58 -0.53 4.72 4.76 -1.26 -4.59 118.16 115.48 2wnx n LYS 26 Ca 0.00 0.97 0.04 0.00 -2.87 0.00 0.00 58.31 56.45 2wnx n LYS 26 Cb 0.32 -5.57 0.22 0.00 -1.84 0.00 0.00 35.03 28.16 2wnx n LYS 26 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2wnx n ASN 27 N -1.78 3.02 -3.74 4.39 6.94 -1.26 0.13 115.26 122.97 2wnx n ASN 27 Ca -0.23 -3.35 -0.20 0.00 -0.02 0.00 0.00 54.58 50.78 2wnx n ASN 27 Cb 0.68 -0.56 -0.17 0.00 -2.36 0.00 0.00 39.78 37.36 2wnx n ASN 27 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2wnx s THR 28 N -3.01 0.10 -0.22 5.53 2.01 -1.26 -1.38 115.64 117.41 2wnx s THR 28 Ca 0.41 0.25 -0.19 0.00 0.31 0.00 0.00 61.69 62.48 2wnx s THR 28 Cb 0.36 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.55 2wnx s THR 28 CO 0.04 0.19 0.54 -0.63 -0.69 0.00 0.00 174.62 174.07 2wnx s ILE 29 N 1.79 5.08 -0.11 1.82 1.01 0.46 -4.90 121.20 126.35 2wnx s ILE 29 Ca 0.01 0.98 0.02 0.00 0.00 0.00 0.00 60.65 61.66 2wnx s ILE 29 Cb -0.12 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 2wnx s ILE 29 CO -0.03 0.14 -0.16 -0.13 0.00 0.00 0.00 174.94 174.75 2wnx s ARG 30 N 1.89 3.18 0.16 2.79 0.52 -1.26 -0.87 118.95 125.36 2wnx s ARG 30 Ca 0.24 -0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 54.55 2wnx s ARG 30 Cb -0.16 -2.50 0.03 0.00 0.52 0.00 0.00 34.95 32.84 2wnx s ARG 30 CO 0.09 0.25 0.44 0.00 0.02 0.00 0.00 175.30 176.11 2wnx s ALA 31 N 0.22 -0.87 -0.02 2.13 0.00 -0.99 -1.07 121.76 121.16 2wnx s ALA 31 Ca -0.10 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 51.73 2wnx s ALA 31 Cb -0.16 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 2wnx s ALA 31 CO 0.06 -0.71 -0.15 0.99 0.00 0.00 0.00 175.76 175.95 2wnx s THR 32 N -3.84 1.18 0.31 0.00 2.01 -0.47 -1.03 115.64 113.79 2wnx s THR 32 Ca 0.06 -0.63 0.11 0.00 0.31 0.00 0.00 61.69 61.55 2wnx s THR 32 Cb 0.01 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.47 2wnx s THR 32 CO -0.07 0.34 -0.15 0.27 -0.69 0.00 0.00 174.62 174.31 2wnx s ILE 33 N -0.25 2.40 -0.15 1.82 -4.36 -0.82 -1.23 121.20 118.62 2wnx s ILE 33 Ca 0.04 -2.31 -0.04 0.00 -0.26 0.00 0.00 60.65 58.08 2wnx s ILE 33 Cb -0.07 -2.46 0.07 0.00 1.25 0.00 0.00 42.46 41.25 2wnx s ILE 33 CO -0.00 -0.31 0.20 0.21 0.24 0.00 0.00 174.94 175.27 2wnx s ASN 34 N -3.56 1.07 -0.21 4.36 3.84 -0.27 -0.80 114.94 119.38 2wnx s ASN 34 Ca 0.31 0.07 -0.09 0.00 0.21 0.00 0.00 52.86 53.36 2wnx s ASN 34 Cb -0.02 0.34 -0.05 0.00 -0.55 0.00 0.00 41.25 40.98 2wnx s ASN 34 CO 0.16 -0.29 0.11 -0.63 -2.79 0.00 0.00 177.10 173.66 2wnx s ILE 35 N 2.31 5.11 -0.04 -5.21 1.01 -1.26 -1.17 121.20 121.96 2wnx s ILE 35 Ca 0.04 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.84 2wnx s ILE 35 Cb -0.14 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 2wnx s ILE 35 CO -0.09 0.42 -0.22 -0.75 0.00 0.00 0.00 174.94 174.30 2wnx s LYS 36 N 0.62 2.34 -0.52 2.79 2.20 -0.14 -0.92 119.74 126.12 2wnx s LYS 36 Ca 0.06 -0.84 -0.24 0.00 -0.36 0.00 0.00 55.97 54.59 2wnx s LYS 36 Cb -0.12 -2.19 0.04 0.00 -1.51 0.00 0.00 37.83 34.05 2wnx s LYS 36 CO 0.01 0.55 0.88 1.21 -0.36 0.00 0.00 175.35 177.63 2wnx s ASN 37 N -0.56 6.36 0.00 1.43 3.84 0.01 -0.95 114.94 125.07 2wnx s ASN 37 Ca 0.08 -0.32 0.24 0.00 0.21 0.00 0.00 52.86 53.07 2wnx s ASN 37 Cb -0.11 -2.41 0.56 0.00 -0.55 0.00 0.00 41.25 38.73 2wnx s ASN 37 CO 0.00 -1.12 1.46 0.35 -2.79 0.00 0.00 177.10 175.01 2wnx n THR 38 N 6.15 0.19 -2.63 -5.21 -2.24 -0.65 -0.70 114.28 109.20 2wnx n THR 38 Ca 0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2wnx n THR 38 Cb 0.47 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 2wnx n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wnx n GLY 39 N 1.31 1.40 0.56 3.38 0.00 -1.15 -4.89 105.19 105.80 2wnx n GLY 39 Ca 0.17 -2.05 0.06 0.00 0.00 0.00 0.00 46.02 44.20 2wnx n GLY 39 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wnx n THR 40 N -1.15 0.45 -4.27 2.61 -2.24 -1.26 -4.11 114.28 104.31 2wnx n THR 40 Ca 0.00 -0.73 -0.20 0.00 -2.27 0.00 0.00 64.05 60.86 2wnx n THR 40 Cb 0.00 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.02 2wnx n THR 40 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wnx s THR 41 N -0.99 1.51 0.91 4.28 -4.23 -1.26 -4.82 115.64 111.04 2wnx s THR 41 Ca 0.18 -1.73 -0.10 0.00 -1.18 0.00 0.00 61.69 58.86 2wnx s THR 41 Cb 0.11 -1.60 0.14 0.00 1.34 0.00 0.00 72.50 72.49 2wnx s THR 41 CO 0.15 -0.33 1.13 -2.84 -0.54 0.00 0.00 174.62 172.19 2wnx s PRO 42 N -2.56 1.08 -0.04 3.99 0.02 -1.26 -4.35 135.00 131.89 2wnx s PRO 42 Ca 0.10 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.55 2wnx s PRO 42 Cb -0.06 -1.74 0.03 0.00 0.02 0.00 0.00 34.50 32.74 2wnx s PRO 42 CO 0.04 -2.54 -0.01 0.54 -0.33 0.00 0.00 177.00 174.70 2wnx s VAL 43 N -2.68 0.28 0.08 3.83 0.11 -0.74 -4.99 120.40 116.28 2wnx s VAL 43 Ca 0.66 0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 59.44 2wnx s VAL 43 Cb -0.22 -0.36 -0.06 0.00 -1.53 0.00 0.00 36.38 34.21 2wnx s VAL 43 CO 0.58 0.17 1.22 0.21 -3.33 0.00 0.00 175.10 173.95 2wnx s ASN 44 N 1.07 7.06 0.46 3.54 3.04 -1.26 -0.80 114.94 128.04 2wnx s ASN 44 Ca -0.09 2.07 0.15 0.00 0.04 0.00 0.00 52.86 55.02 2wnx s ASN 44 Cb -0.14 -2.58 1.11 0.00 -1.54 0.00 0.00 41.25 38.10 2wnx s ASN 44 CO -0.01 -0.48 2.04 -0.07 -3.04 0.00 0.00 177.10 175.54 2wnx h LEU 45 N 6.64 0.25 -2.69 3.21 3.38 -1.49 -0.87 115.31 123.74 2wnx h LEU 45 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2wnx h LEU 45 Cb 1.21 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2wnx h LEU 45 CO 0.81 0.16 0.02 0.77 0.09 0.00 0.00 178.44 180.29 2wnx h SER 46 N 0.28 0.00 0.20 -0.43 4.64 -1.76 -0.44 113.55 116.04 2wnx h SER 46 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2wnx h SER 46 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2wnx h SER 46 CO -0.04 0.00 -0.16 0.47 -0.87 0.00 0.00 176.83 176.23 2wnx n ASP 47 N -3.46 1.00 -4.82 4.97 8.00 -0.33 -4.73 116.55 117.18 2wnx n ASP 47 Ca -0.03 -0.97 -0.36 0.00 0.71 0.00 0.00 54.79 54.14 2wnx n ASP 47 Cb 0.10 0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 2wnx n ASP 47 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wnx s ILE 48 N -2.37 5.42 0.09 0.53 1.01 -0.17 -0.85 121.20 124.86 2wnx s ILE 48 Ca 0.29 0.29 0.06 0.00 0.00 0.00 0.00 60.65 61.29 2wnx s ILE 48 Cb 0.20 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2wnx s ILE 48 CO 0.46 0.54 -0.16 -0.54 0.00 0.00 0.00 174.94 175.24 2wnx s LYS 49 N -0.47 0.95 -0.04 2.79 1.02 -0.74 -4.14 119.74 119.11 2wnx s LYS 49 Ca 0.14 -1.07 0.03 0.00 0.02 0.00 0.00 55.97 55.09 2wnx s LYS 49 Cb -0.12 -1.02 0.00 0.00 -0.52 0.00 0.00 37.83 36.17 2wnx s LYS 49 CO 0.03 0.23 -0.13 0.08 -0.92 0.00 0.00 175.35 174.63 2wnx s VAL 50 N -1.39 1.13 -0.09 3.17 1.01 -0.13 -0.90 120.40 123.20 2wnx s VAL 50 Ca 0.03 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2wnx s VAL 50 Cb -0.09 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2wnx s VAL 50 CO 0.03 0.34 -0.21 -0.13 0.00 0.00 0.00 175.10 175.13 2wnx s ARG 51 N 0.22 2.90 -0.25 2.72 0.52 0.37 -0.02 118.95 125.42 2wnx s ARG 51 Ca -0.06 -0.83 -0.04 0.00 -0.52 0.00 0.00 55.73 54.28 2wnx s ARG 51 Cb -0.11 -2.33 0.01 0.00 0.52 0.00 0.00 34.95 33.03 2wnx s ARG 51 CO 0.02 0.29 -0.01 -0.47 0.02 0.00 0.00 175.30 175.16 2wnx s TYR 52 N 0.08 3.05 -0.18 -0.53 5.04 -0.24 -2.23 117.35 122.34 2wnx s TYR 52 Ca -0.09 -1.09 -0.09 0.00 -2.44 0.00 0.00 57.07 53.36 2wnx s TYR 52 Cb -0.15 -2.14 -0.05 0.00 0.35 0.00 0.00 41.96 39.97 2wnx s TYR 52 CO 0.06 -0.60 0.10 -1.58 -1.34 0.00 0.00 175.55 172.19 2wnx s TRP 53 N 1.45 3.35 0.25 4.97 0.52 -1.26 -0.56 118.94 127.66 2wnx s TRP 53 Ca 0.03 0.23 -0.18 0.00 0.02 0.00 0.00 56.10 56.21 2wnx s TRP 53 Cb -0.16 -2.10 0.01 0.00 -1.15 0.00 0.00 33.47 30.08 2wnx s TRP 53 CO -0.02 0.27 0.60 -0.59 0.02 0.00 0.00 176.95 177.23 2wnx s PHE 54 N 0.23 0.00 -0.21 -1.98 -0.12 -0.61 -1.47 117.98 113.83 2wnx s PHE 54 Ca 0.07 -0.40 -0.08 0.00 -0.05 0.00 0.00 56.93 56.47 2wnx s PHE 54 Cb -0.12 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 2wnx s PHE 54 CO -0.01 -1.08 0.07 0.95 -0.05 0.00 0.00 175.22 175.10 2wnx s THR 55 N -3.94 4.66 -1.48 -4.49 -4.23 -1.22 -1.68 115.64 103.26 2wnx s THR 55 Ca 0.14 -0.07 0.29 0.00 -1.18 0.00 0.00 61.69 60.87 2wnx s THR 55 Cb -0.03 -3.13 0.43 0.00 1.34 0.00 0.00 72.50 71.10 2wnx s THR 55 CO 0.05 0.41 1.89 -1.54 -0.54 0.00 0.00 174.62 174.89 2wnx n SER 56 N 4.06 0.29 -3.53 3.99 3.41 -1.26 -4.82 113.62 115.76 2wnx n SER 56 Ca -0.16 -0.33 -0.25 0.00 -0.26 0.00 0.00 58.87 57.87 2wnx n SER 56 Cb 0.52 -0.15 0.06 0.00 -0.26 0.00 0.00 64.21 64.38 2wnx n SER 56 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wnx n ASP 57 N -1.14 -6.09 0.00 4.04 8.00 -1.26 -1.93 116.55 118.17 2wnx n ASP 57 Ca 0.13 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.11 2wnx n ASP 57 Cb 0.28 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.55 2wnx n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wnx n GLY 58 N -1.86 1.96 3.65 0.44 0.00 -1.26 -4.92 105.19 103.19 2wnx n GLY 58 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2wnx n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wnx s ASN 59 N -1.85 6.63 0.11 1.61 0.01 -0.81 -4.85 114.94 115.78 2wnx s ASN 59 Ca 0.00 2.06 0.01 0.00 -0.71 0.00 0.00 52.86 54.22 2wnx s ASN 59 Cb 0.00 -2.53 -0.21 0.00 0.41 0.00 0.00 41.25 38.92 2wnx s ASN 59 CO 0.00 -0.98 1.24 -0.33 -1.51 0.00 0.00 177.10 175.51 2wnx h GLU 60 N 9.68 0.15 -5.23 -0.60 4.39 -1.96 -3.43 114.58 117.59 2wnx h GLU 60 Ca -0.37 -0.24 -0.63 0.00 0.34 0.00 0.00 59.36 58.47 2wnx h GLU 60 Cb 1.17 0.08 -0.19 0.00 -0.10 0.00 0.00 28.75 29.71 2wnx h GLU 60 CO 0.96 1.09 -0.60 -1.14 -1.16 0.00 0.00 179.01 178.16 2wnx s GLN 61 N -2.77 3.83 -0.13 2.33 2.00 -1.26 -5.06 119.66 118.60 2wnx s GLN 61 Ca -0.02 -0.42 -0.04 0.00 -2.00 0.00 0.00 55.36 52.89 2wnx s GLN 61 Cb 0.09 -3.15 0.05 0.00 0.80 0.00 0.00 33.01 30.80 2wnx s GLN 61 CO 0.85 0.18 0.07 -0.80 -0.50 0.00 0.00 175.29 175.09 2wnx s ASN 62 N 0.59 2.03 -0.17 6.67 0.01 -1.26 -4.36 114.94 118.45 2wnx s ASN 62 Ca 0.02 -0.42 -0.04 0.00 -0.71 0.00 0.00 52.86 51.71 2wnx s ASN 62 Cb -0.13 -0.25 -0.03 0.00 0.41 0.00 0.00 41.25 41.25 2wnx s ASN 62 CO 0.02 -0.31 -0.02 0.20 -1.51 0.00 0.00 177.10 175.48 2wnx s ASN 63 N 2.12 4.89 0.07 -1.22 0.01 -0.11 -4.69 114.94 116.01 2wnx s ASN 63 Ca 0.03 -0.12 -0.21 0.00 -0.71 0.00 0.00 52.86 51.84 2wnx s ASN 63 Cb -0.15 -1.81 -0.06 0.00 0.41 0.00 0.00 41.25 39.64 2wnx s ASN 63 CO -0.07 0.15 0.63 0.12 -1.51 0.00 0.00 177.10 176.42 2wnx s PHE 64 N 0.49 3.79 -0.13 2.20 5.36 -1.26 -0.50 117.98 127.93 2wnx s PHE 64 Ca -0.02 1.34 -0.12 0.00 -0.96 0.00 0.00 56.93 57.17 2wnx s PHE 64 Cb -0.14 -2.61 0.04 0.00 -0.34 0.00 0.00 43.02 39.97 2wnx s PHE 64 CO 0.02 0.49 0.35 0.14 -1.46 0.00 0.00 175.22 174.76 2wnx s VAL 65 N -0.79 -0.00 -0.17 3.12 -7.23 -0.46 -4.90 120.40 109.96 2wnx s VAL 65 Ca 0.32 0.01 -0.17 0.00 -1.81 0.00 0.00 61.98 60.32 2wnx s VAL 65 Cb -0.20 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2wnx s VAL 65 CO 0.20 0.01 0.46 0.00 -0.31 0.00 0.00 175.10 175.46 2wnx n ASP 67 N 4.31 0.46 -3.59 0.00 8.00 -0.39 -4.92 116.55 120.43 2wnx n ASP 67 Ca -0.07 -0.07 -0.15 0.00 0.71 0.00 0.00 54.79 55.21 2wnx n ASP 67 Cb 0.51 1.19 -0.07 0.00 -0.02 0.00 0.00 41.12 42.73 2wnx n ASP 67 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2wnx s TYR 68 N -3.34 -0.70 -0.14 1.24 5.04 -1.25 -5.00 117.35 113.20 2wnx s TYR 68 Ca -0.01 1.51 -0.22 0.00 -2.44 0.00 0.00 57.07 55.91 2wnx s TYR 68 Cb 0.13 0.34 0.05 0.00 0.35 0.00 0.00 41.96 42.83 2wnx s TYR 68 CO 0.85 -0.45 0.56 0.00 -1.34 0.00 0.00 175.55 175.16 2wnx s ALA 69 N -0.29 -1.42 0.37 3.97 0.00 -1.26 -3.91 121.76 119.22 2wnx s ALA 69 Ca -0.04 1.34 0.06 0.00 0.00 0.00 0.00 51.96 53.32 2wnx s ALA 69 Cb -0.03 -0.54 0.76 0.00 0.00 0.00 0.00 23.12 23.32 2wnx s ALA 69 CO 0.04 -0.30 1.97 0.00 0.00 0.00 0.00 175.76 177.47 2wnx h ALA 70 N 4.43 1.72 -0.12 0.00 0.00 -1.82 -1.00 119.26 122.46 2wnx h ALA 70 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wnx h ALA 70 Cb 1.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wnx h ALA 70 CO 0.25 0.17 0.00 1.97 0.00 0.00 0.00 179.25 181.64 2wnx n PHE 71 N -4.48 0.14 0.00 0.00 1.16 -1.26 -5.01 117.46 108.01 2wnx n PHE 71 Ca 0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 57.45 55.61 2wnx n PHE 71 Cb 0.22 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.09 2wnx n PHE 71 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2wnx n GLY 72 N 1.20 2.73 0.32 4.97 0.00 -0.38 -4.73 105.19 109.29 2wnx n GLY 72 Ca 0.17 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.89 2wnx n GLY 72 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wnx h THR 73 N 0.00 0.74 0.00 2.61 1.35 -1.89 -2.22 112.91 113.49 2wnx h THR 73 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wnx h THR 73 Cb 0.00 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 2wnx h THR 73 CO 0.00 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.37 2wnx n ASP 74 N -4.22 0.00 0.03 5.36 5.68 -1.26 -1.65 116.55 120.49 2wnx n ASP 74 Ca 0.01 0.15 0.12 0.00 -0.50 0.00 0.00 54.79 54.58 2wnx n ASP 74 Cb 0.28 -0.31 0.21 0.00 -1.14 0.00 0.00 41.12 40.16 2wnx n ASP 74 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2wnx n LYS 75 N -1.31 0.16 -4.23 0.11 4.76 -0.83 -4.85 118.16 111.95 2wnx n LYS 75 Ca 0.06 0.04 -0.34 0.00 -2.87 0.00 0.00 58.31 55.20 2wnx n LYS 75 Cb 0.11 -1.59 -0.10 0.00 -1.84 0.00 0.00 35.03 31.60 2wnx n LYS 75 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wnx s VAL 76 N -3.09 4.36 0.14 -0.18 1.01 -0.66 -1.03 120.40 120.95 2wnx s VAL 76 Ca 0.08 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 61.97 2wnx s VAL 76 Cb 0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2wnx s VAL 76 CO 0.71 0.51 -0.24 -0.54 0.00 0.00 0.00 175.10 175.54 2wnx s LYS 77 N 0.06 1.36 -0.07 2.72 1.02 -0.01 -4.90 119.74 119.92 2wnx s LYS 77 Ca 0.03 -1.36 -0.07 0.00 0.02 0.00 0.00 55.97 54.58 2wnx s LYS 77 Cb -0.13 -1.73 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 2wnx s LYS 77 CO 0.02 0.39 0.21 0.20 -0.92 0.00 0.00 175.35 175.25 2wnx s GLY 78 N -2.24 -0.15 0.03 -3.33 0.00 -1.26 -0.90 107.32 99.47 2wnx s GLY 78 Ca 0.14 0.56 0.04 0.00 0.00 0.00 0.00 44.72 45.47 2wnx s GLY 78 CO 0.07 0.47 -0.13 -1.50 0.00 0.00 0.00 173.10 172.01 2wnx s ILE 79 N 0.03 1.02 -0.13 0.90 2.07 -0.44 -4.82 121.20 119.82 2wnx s ILE 79 Ca -0.01 -0.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.35 2wnx s ILE 79 Cb -0.02 -0.92 -0.00 0.00 0.13 0.00 0.00 42.46 41.65 2wnx s ILE 79 CO 0.00 0.03 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.21 2wnx s VAL 80 N -0.76 2.63 0.03 4.00 1.01 -1.26 -0.55 120.40 125.49 2wnx s VAL 80 Ca 0.01 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2wnx s VAL 80 Cb -0.07 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 2wnx s VAL 80 CO 0.01 0.53 -0.12 -0.54 0.00 0.00 0.00 175.10 174.98 2wnx s LYS 81 N 0.57 0.83 0.32 2.72 1.02 -0.22 -4.98 119.74 120.00 2wnx s LYS 81 Ca -0.10 -0.66 -0.27 0.00 0.02 0.00 0.00 55.97 54.96 2wnx s LYS 81 Cb -0.16 -0.79 -0.09 0.00 -0.52 0.00 0.00 37.83 36.26 2wnx s LYS 81 CO 0.04 0.20 1.03 0.15 -0.92 0.00 0.00 175.35 175.84 2wnx s LYS 82 N -1.00 4.50 -0.32 1.68 1.02 -1.26 -0.99 119.74 123.37 2wnx s LYS 82 Ca 0.00 1.57 -0.11 0.00 0.02 0.00 0.00 55.97 57.45 2wnx s LYS 82 Cb -0.07 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 2wnx s LYS 82 CO 0.01 0.15 0.19 0.42 -0.92 0.00 0.00 175.35 175.20 2wnx s ILE 83 N -1.42 4.97 0.15 2.17 1.01 -0.01 -4.89 121.20 123.18 2wnx s ILE 83 Ca 0.50 -0.26 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 2wnx s ILE 83 Cb -0.25 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 2wnx s ILE 83 CO 0.32 0.06 1.42 -0.33 0.00 0.00 0.00 174.94 176.41 2wnx h GLU 84 N 8.41 0.66 -3.92 2.79 4.39 -1.97 -3.36 114.58 121.59 2wnx h GLU 84 Ca -0.32 -0.47 -0.77 0.00 0.34 0.00 0.00 59.36 58.14 2wnx h GLU 84 Cb 1.16 0.07 -0.26 0.00 -0.10 0.00 0.00 28.75 29.62 2wnx h GLU 84 CO 0.62 1.09 -0.05 -0.80 -1.16 0.00 0.00 179.01 178.70 2wnx s ASN 85 N -6.98 6.44 0.56 1.42 0.01 -1.26 -5.03 114.94 110.10 2wnx s ASN 85 Ca -0.08 -2.40 -0.19 0.00 -0.71 0.00 0.00 52.86 49.47 2wnx s ASN 85 Cb 0.10 -2.18 -0.05 0.00 0.41 0.00 0.00 41.25 39.54 2wnx s ASN 85 CO 0.87 -0.65 1.19 -0.55 -1.51 0.00 0.00 177.10 176.45 2wnx s SER 86 N 2.51 5.43 0.33 -1.22 0.15 -1.26 -4.94 113.70 114.71 2wnx s SER 86 Ca 0.13 2.34 0.03 0.00 0.70 0.00 0.00 55.95 59.15 2wnx s SER 86 Cb -0.18 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.49 2wnx s SER 86 CO -0.05 -1.43 0.08 0.68 1.20 0.00 0.00 173.24 173.73 2wnx s VAL 87 N -1.62 0.92 0.08 4.45 -7.23 -0.88 -4.81 120.40 111.30 2wnx s VAL 87 Ca 0.75 -2.00 -0.33 0.00 -1.81 0.00 0.00 61.98 58.59 2wnx s VAL 87 Cb -0.29 -2.65 -0.12 0.00 0.56 0.00 0.00 36.38 33.88 2wnx s VAL 87 CO 0.32 0.00 1.78 -2.65 -0.31 0.00 0.00 175.10 174.24 2wnx n PRO 88 N -0.70 2.45 -0.97 4.82 -0.02 -1.26 -1.56 135.00 137.75 2wnx n PRO 88 Ca -0.03 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2wnx n PRO 88 Cb 0.66 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2wnx n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wnx n GLY 89 N 4.05 0.60 3.44 -1.23 0.00 -1.26 -4.68 105.19 106.10 2wnx n GLY 89 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2wnx n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnx s ALA 90 N -2.54 -1.64 -0.35 4.61 0.00 -0.60 -0.56 121.76 120.67 2wnx s ALA 90 Ca 0.00 1.92 0.03 0.00 0.00 0.00 0.00 51.96 53.91 2wnx s ALA 90 Cb 0.00 -1.60 0.07 0.00 0.00 0.00 0.00 23.12 21.59 2wnx s ALA 90 CO 0.00 -0.88 0.90 -0.40 0.00 0.00 0.00 175.76 175.37 2wnx n ASP 91 N 5.42 1.90 -3.60 0.00 5.68 -0.67 -2.08 116.55 123.20 2wnx n ASP 91 Ca -0.10 -1.66 -0.13 0.00 -0.50 0.00 0.00 54.79 52.39 2wnx n ASP 91 Cb 0.49 -0.04 -0.05 0.00 -1.14 0.00 0.00 41.12 40.37 2wnx n ASP 91 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2wnx s THR 92 N -0.72 0.04 0.03 2.12 2.01 -0.80 -0.83 115.64 117.48 2wnx s THR 92 Ca 0.06 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 2wnx s THR 92 Cb 0.03 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.55 2wnx s THR 92 CO 0.05 -0.17 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.05 2wnx s TYR 93 N -2.52 0.35 -0.23 4.92 -0.85 -0.16 -1.57 117.35 117.29 2wnx s TYR 93 Ca -0.05 -0.64 -0.07 0.00 -0.52 0.00 0.00 57.07 55.79 2wnx s TYR 93 Cb -0.01 -0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.05 2wnx s TYR 93 CO -0.02 -0.22 0.07 0.00 -1.52 0.00 0.00 175.55 173.85 2wnx s GLU 95 N 1.34 3.23 -0.10 0.00 2.12 0.29 -1.08 118.70 124.50 2wnx s GLU 95 Ca 0.05 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.47 2wnx s GLU 95 Cb -0.15 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 2wnx s GLU 95 CO 0.04 -0.46 0.27 0.42 -0.54 0.00 0.00 175.26 174.98 2wnx s ILE 96 N 1.59 5.29 0.35 -3.70 1.01 0.97 -1.33 121.20 125.39 2wnx s ILE 96 Ca 0.04 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.23 2wnx s ILE 96 Cb -0.17 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 2wnx s ILE 96 CO 0.06 0.52 0.39 -0.94 0.00 0.00 0.00 174.94 174.97 2wnx s SER 97 N -0.43 1.43 0.05 3.58 1.04 -0.08 -0.95 113.70 118.34 2wnx s SER 97 Ca 0.18 -1.67 0.04 0.00 0.48 0.00 0.00 55.95 54.97 2wnx s SER 97 Cb -0.14 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 2wnx s SER 97 CO 0.06 -1.21 -0.11 -0.36 0.98 0.00 0.00 173.24 172.61 2wnx s PHE 98 N -3.15 0.92 0.89 5.02 0.40 -1.26 -0.83 117.98 119.97 2wnx s PHE 98 Ca 0.36 -0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 56.11 2wnx s PHE 98 Cb 0.01 -0.54 0.12 0.00 0.51 0.00 0.00 43.02 43.12 2wnx s PHE 98 CO 0.25 -0.02 1.10 0.95 0.70 0.00 0.00 175.22 178.21 2wnx s THR 99 N -1.26 2.63 0.47 0.64 -4.23 -0.20 -4.45 115.64 109.22 2wnx s THR 99 Ca -0.06 0.20 0.13 0.00 -1.18 0.00 0.00 61.69 60.78 2wnx s THR 99 Cb -0.10 -2.78 0.24 0.00 1.34 0.00 0.00 72.50 71.21 2wnx s THR 99 CO 0.01 -0.27 2.08 -0.33 -0.54 0.00 0.00 174.62 175.57 2wnx h GLU 100 N -1.48 0.18 -0.66 3.99 4.39 -1.93 -1.65 114.58 117.42 2wnx h GLU 100 Ca -0.50 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2wnx h GLU 100 Cb 1.29 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2wnx h GLU 100 CO 0.57 0.16 0.00 -0.40 -1.16 0.00 0.00 179.01 178.18 2wnx n ASP 101 N -4.47 4.14 0.16 1.42 5.75 -1.26 -4.55 116.55 117.74 2wnx n ASP 101 Ca -0.01 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.25 2wnx n ASP 101 Cb 0.12 -0.58 0.24 0.00 -1.03 0.00 0.00 41.12 39.88 2wnx n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wnx h ALA 102 N 3.61 1.11 0.00 2.12 0.00 -1.62 -3.49 119.26 120.99 2wnx h ALA 102 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wnx h ALA 102 Cb 1.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wnx h ALA 102 CO 0.28 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.59 2wnx n GLY 103 N 0.01 -0.78 3.58 0.00 0.00 -1.26 -4.93 105.19 101.80 2wnx n GLY 103 Ca -0.01 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.51 2wnx n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wnx s ARG 104 N -0.77 2.06 -0.22 1.61 0.52 -1.26 -1.18 118.95 119.70 2wnx s ARG 104 Ca 0.00 -1.47 -0.05 0.00 -0.52 0.00 0.00 55.73 53.69 2wnx s ARG 104 Cb 0.00 -2.05 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 2wnx s ARG 104 CO 0.00 0.37 -0.01 -0.51 0.02 0.00 0.00 175.30 175.17 2wnx s LEU 105 N -3.40 3.10 0.80 2.53 1.43 0.02 -4.87 118.68 118.28 2wnx s LEU 105 Ca 0.29 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.98 2wnx s LEU 105 Cb -0.07 -1.80 0.08 0.00 0.03 0.00 0.00 46.19 44.43 2wnx s LEU 105 CO 0.17 0.00 1.12 0.00 0.23 0.00 0.00 176.35 177.87 2wnx s ALA 106 N 1.37 2.03 0.13 4.21 0.00 -1.26 -1.80 121.76 126.45 2wnx s ALA 106 Ca 0.04 0.44 -0.35 0.00 0.00 0.00 0.00 51.96 52.10 2wnx s ALA 106 Cb -0.15 -3.35 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 2wnx s ALA 106 CO -0.00 -2.02 1.26 -2.30 0.00 0.00 0.00 175.76 172.70 2wnx n PRO 107 N -3.55 1.20 -0.92 0.00 -0.02 -1.26 -0.70 135.00 129.75 2wnx n PRO 107 Ca 0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2wnx n PRO 107 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2wnx n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wnx n GLY 108 N 2.28 0.69 3.75 -1.23 0.00 0.12 -5.01 105.19 105.79 2wnx n GLY 108 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 2wnx n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wnx s GLY 109 N -2.00 2.33 -0.11 -0.02 0.00 0.13 -4.85 107.32 102.79 2wnx s GLY 109 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 2wnx s GLY 109 CO 0.00 0.51 -0.02 -0.56 0.00 0.00 0.00 173.10 173.03 2wnx s SER 110 N 0.26 5.01 0.56 1.64 0.01 -1.26 -0.81 113.70 119.11 2wnx s SER 110 Ca 0.21 0.02 0.29 0.00 1.31 0.00 0.00 55.95 57.78 2wnx s SER 110 Cb -0.14 -1.56 1.46 0.00 0.21 0.00 0.00 66.02 65.99 2wnx s SER 110 CO 0.08 0.29 1.93 0.71 0.41 0.00 0.00 173.24 176.66 2wnx h THR 111 N 4.56 0.53 -0.94 1.44 1.35 -1.39 -3.49 112.91 114.98 2wnx h THR 111 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2wnx h THR 111 Cb 1.19 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2wnx h THR 111 CO 0.58 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 2wnx n GLY 112 N -1.61 -1.53 3.71 5.82 0.00 -1.26 -4.65 105.19 105.67 2wnx n GLY 112 Ca 0.12 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 2wnx n GLY 112 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wnx n THR 113 N -0.93 0.47 -3.74 2.61 -2.24 -1.26 -4.36 114.28 104.83 2wnx n THR 113 Ca 0.00 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.37 2wnx n THR 113 Cb 0.00 -1.83 -0.13 0.00 -2.10 0.00 0.00 70.33 66.27 2wnx n THR 113 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wnx s ILE 114 N 0.57 1.55 0.34 2.28 1.01 0.02 -4.60 121.20 122.37 2wnx s ILE 114 Ca 0.71 -2.68 -0.26 0.00 0.00 0.00 0.00 60.65 58.42 2wnx s ILE 114 Cb -0.55 -2.09 -0.09 0.00 0.01 0.00 0.00 42.46 39.74 2wnx s ILE 114 CO 0.41 -0.89 1.00 -2.16 0.00 0.00 0.00 174.94 173.30 2wnx s PRO 115 N 0.23 4.45 0.17 2.79 0.04 -1.25 -1.94 135.00 139.49 2wnx s PRO 115 Ca 0.18 1.45 -0.09 0.00 0.04 0.00 0.00 61.00 62.58 2wnx s PRO 115 Cb -0.23 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 2wnx s PRO 115 CO -0.01 0.13 0.29 -0.59 0.04 0.00 0.00 177.00 176.86 2wnx s PHE 116 N -1.57 0.42 0.06 0.56 -0.12 -0.20 -1.26 117.98 115.87 2wnx s PHE 116 Ca 0.52 -0.78 0.07 0.00 -0.05 0.00 0.00 56.93 56.69 2wnx s PHE 116 Cb -0.21 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 2wnx s PHE 116 CO 0.27 -0.73 -0.19 1.03 -0.05 0.00 0.00 175.22 175.56 2wnx s ARG 117 N -3.97 1.17 -0.17 1.99 0.52 -0.31 -2.36 118.95 115.83 2wnx s ARG 117 Ca 0.18 -0.95 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 2wnx s ARG 117 Cb 0.03 -1.29 0.01 0.00 0.52 0.00 0.00 34.95 34.22 2wnx s ARG 117 CO 0.01 0.32 -0.16 0.42 0.02 0.00 0.00 175.30 175.90 2wnx s ILE 118 N -0.93 2.48 -0.14 1.52 1.01 -0.05 -1.35 121.20 123.74 2wnx s ILE 118 Ca 0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 2wnx s ILE 118 Cb -0.09 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 2wnx s ILE 118 CO 0.02 0.51 -0.09 -1.61 0.00 0.00 0.00 174.94 173.78 2wnx s GLU 119 N 1.08 3.48 0.24 2.79 0.41 0.34 -0.40 118.70 126.64 2wnx s GLU 119 Ca -0.00 -0.61 0.07 0.00 -0.41 0.00 0.00 54.97 54.02 2wnx s GLU 119 Cb -0.14 -2.75 -0.05 0.00 -1.78 0.00 0.00 34.13 29.41 2wnx s GLU 119 CO -0.05 0.25 -0.11 0.20 -0.49 0.00 0.00 175.26 175.06 2wnx s GLY 120 N 0.29 1.59 0.03 -1.39 0.00 -0.48 -0.93 107.32 106.43 2wnx s GLY 120 Ca -0.07 -1.76 -0.18 0.00 0.00 0.00 0.00 44.72 42.71 2wnx s GLY 120 CO 0.04 -1.79 1.12 0.00 0.00 0.00 0.00 173.10 172.47 2wnx h ALA 121 N 2.44 0.08 -1.64 3.20 0.00 -1.85 -3.45 119.26 118.04 2wnx h ALA 121 Ca -0.39 -0.62 -0.44 0.00 0.00 0.00 0.00 54.91 53.46 2wnx h ALA 121 Cb 1.23 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2wnx h ALA 121 CO 0.64 0.47 -0.32 0.00 0.00 0.00 0.00 179.25 180.05 2wnx s ALA 122 N -3.19 4.33 0.36 0.00 0.00 -1.26 -4.97 121.76 117.03 2wnx s ALA 122 Ca -0.12 -1.58 -0.28 0.00 0.00 0.00 0.00 51.96 49.98 2wnx s ALA 122 Cb 0.04 -1.60 -0.12 0.00 0.00 0.00 0.00 23.12 21.45 2wnx s ALA 122 CO 0.86 -0.14 1.40 -1.91 0.00 0.00 0.00 175.76 175.97 2wnx n GLU 123 N -1.71 2.44 -3.77 0.00 2.13 -1.26 -4.58 120.64 113.89 2wnx n GLU 123 Ca 0.03 0.86 -0.36 0.00 0.66 0.00 0.00 57.16 58.35 2wnx n GLU 123 Cb 0.59 -2.52 -0.07 0.00 0.27 0.00 0.00 31.44 29.71 2wnx n GLU 123 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wnx s TYR 124 N -1.11 3.54 -0.40 4.31 4.12 0.12 -4.85 117.35 123.08 2wnx s TYR 124 Ca 0.54 0.50 -0.15 0.00 0.02 0.00 0.00 57.07 57.99 2wnx s TYR 124 Cb -0.52 -2.07 0.01 0.00 -1.52 0.00 0.00 41.96 37.87 2wnx s TYR 124 CO 0.63 0.54 0.31 0.34 0.02 0.00 0.00 175.55 177.40 2wnx s ASP 125 N -0.45 6.12 0.14 2.29 -1.08 -1.26 -4.79 116.67 117.64 2wnx s ASP 125 Ca 0.13 -0.77 0.26 0.00 -0.52 0.00 0.00 52.55 51.65 2wnx s ASP 125 Cb -0.12 -2.17 0.68 0.00 -1.46 0.00 0.00 42.92 39.85 2wnx s ASP 125 CO 0.03 -0.43 1.61 0.00 0.52 0.00 0.00 175.17 176.89 2wnx n GLN 126 N 5.22 0.22 0.27 4.34 6.02 -1.26 -3.87 117.38 128.32 2wnx n GLN 126 Ca -0.11 0.13 0.15 0.00 -0.01 0.00 0.00 57.00 57.16 2wnx n GLN 126 Cb 0.48 -1.70 0.76 0.00 1.02 0.00 0.00 30.24 30.79 2wnx n GLN 126 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2wnx h THR 127 N 0.00 0.40 -0.86 5.09 1.35 -1.96 -1.91 112.91 115.01 2wnx h THR 127 Ca 0.00 -0.52 -0.43 0.00 -0.55 0.00 0.00 66.41 64.91 2wnx h THR 127 Cb 0.69 1.37 -0.26 0.00 -1.73 0.00 0.00 68.15 68.23 2wnx h THR 127 CO 0.00 0.09 0.50 -0.90 -0.25 0.00 0.00 175.52 174.96 2wnx n ASP 128 N -3.45 3.66 -4.53 5.36 5.68 -1.25 -4.93 116.55 117.09 2wnx n ASP 128 Ca -0.01 -3.59 -0.34 0.00 -0.50 0.00 0.00 54.79 50.34 2wnx n ASP 128 Cb 0.25 -0.80 -0.11 0.00 -1.14 0.00 0.00 41.12 39.32 2wnx n ASP 128 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2wnx s ASP 129 N -1.48 5.01 0.21 -1.12 1.01 -0.72 -4.20 116.67 115.38 2wnx s ASP 129 Ca 0.55 -0.08 -0.09 0.00 0.71 0.00 0.00 52.55 53.64 2wnx s ASP 129 Cb 0.46 -1.83 0.31 0.00 1.01 0.00 0.00 42.92 42.87 2wnx s ASP 129 CO 0.09 0.17 1.72 0.22 0.21 0.00 0.00 175.17 177.58 2wnx h TYR 130 N 6.71 0.28 -0.00 4.23 3.20 -0.76 -2.40 116.97 128.23 2wnx h TYR 130 Ca -0.33 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.58 2wnx h TYR 130 Cb 1.18 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2wnx h TYR 130 CO 0.54 0.01 -0.15 0.43 -1.64 0.00 0.00 178.16 177.35 2wnx n SER 131 N -5.09 0.33 -4.70 -2.11 7.64 -0.54 -4.85 113.62 104.30 2wnx n SER 131 Ca 0.09 -0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.35 2wnx n SER 131 Cb 0.32 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 2wnx n SER 131 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wnx s TYR 132 N -2.72 3.41 -0.32 1.43 5.04 -0.90 -4.77 117.35 118.53 2wnx s TYR 132 Ca 0.21 1.37 -0.02 0.00 -2.44 0.00 0.00 57.07 56.19 2wnx s TYR 132 Cb 0.19 -3.35 0.12 0.00 0.35 0.00 0.00 41.96 39.27 2wnx s TYR 132 CO 0.53 -0.99 0.18 1.21 -1.34 0.00 0.00 175.55 175.14 2wnx s ASN 133 N 1.18 3.06 0.36 4.32 3.84 -1.26 -4.94 114.94 121.50 2wnx s ASN 133 Ca 0.56 -1.57 0.26 0.00 0.21 0.00 0.00 52.86 52.32 2wnx s ASN 133 Cb -0.26 -0.25 1.23 0.00 -0.55 0.00 0.00 41.25 41.42 2wnx s ASN 133 CO 0.26 -0.38 1.80 0.77 -2.79 0.00 0.00 177.10 176.76 2wnx h SER 134 N 7.84 0.00 0.55 -4.21 4.64 -1.98 -1.94 113.55 118.45 2wnx h SER 134 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2wnx h SER 134 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2wnx h SER 134 CO 0.36 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.99 2wnx h GLU 135 N 0.00 0.00 -1.20 4.77 4.39 -2.00 -3.16 114.58 117.38 2wnx h GLU 135 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 2wnx h GLU 135 Cb 0.24 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.56 2wnx h GLU 135 CO 0.00 0.00 0.37 -1.33 -1.16 0.00 0.00 179.01 176.89 2wnx n MET 136 N -2.62 2.99 -0.04 2.33 2.81 -0.73 -4.62 117.12 117.23 2wnx n MET 136 Ca 0.00 -3.66 -0.10 0.00 -1.81 0.00 0.00 57.70 52.13 2wnx n MET 136 Cb 0.19 -2.28 -0.15 0.00 -0.71 0.00 0.00 33.22 30.27 2wnx n MET 136 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2wnx n SER 137 N -0.75 0.70 0.04 7.83 7.64 -1.20 -0.61 113.62 127.28 2wnx n SER 137 Ca 0.54 0.28 -0.02 0.00 1.01 0.00 0.00 58.87 60.68 2wnx n SER 137 Cb 0.64 0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 63.96 2wnx n SER 137 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2wnx h ASP 138 N 0.00 0.00 -5.04 6.43 3.32 -1.87 -3.44 116.42 115.83 2wnx h ASP 138 Ca -0.37 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.56 2wnx h ASP 138 Cb 2.08 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 41.45 2wnx h ASP 138 CO 0.06 0.67 -0.35 -1.81 -1.72 0.00 0.00 179.24 176.09 2wnx s ASP 139 N -5.97 -0.04 0.34 6.45 1.01 -1.26 -5.14 116.67 112.06 2wnx s ASP 139 Ca -0.02 -0.23 -0.29 0.00 0.71 0.00 0.00 52.55 52.72 2wnx s ASP 139 Cb 0.08 0.30 -0.11 0.00 1.01 0.00 0.00 42.92 44.20 2wnx s ASP 139 CO 0.81 -0.53 1.54 -0.36 0.21 0.00 0.00 175.17 176.83 2wnx s PHE 140 N -2.22 2.65 0.29 4.23 0.40 -1.26 -4.71 117.98 117.36 2wnx s PHE 140 Ca -0.08 0.99 0.04 0.00 -0.60 0.00 0.00 56.93 57.29 2wnx s PHE 140 Cb -0.02 -4.05 -0.03 0.00 0.51 0.00 0.00 43.02 39.42 2wnx s PHE 140 CO -0.02 -3.29 0.21 0.20 0.70 0.00 0.00 175.22 173.03 2wnx s GLY 141 N 0.14 2.04 -1.18 4.36 0.00 0.30 -4.86 107.32 108.11 2wnx s GLY 141 Ca 0.57 -1.90 -0.13 0.00 0.00 0.00 0.00 44.72 43.26 2wnx s GLY 141 CO 0.57 -1.47 1.38 -0.35 0.00 0.00 0.00 173.10 173.22 2wnx s ASP 142 N -3.31 7.09 -0.95 1.64 2.15 -1.26 -1.05 116.67 120.97 2wnx s ASP 142 Ca 0.39 -3.04 -0.20 0.00 0.43 0.00 0.00 52.55 50.13 2wnx s ASP 142 Cb 0.04 -2.37 0.11 0.00 -0.30 0.00 0.00 42.92 40.39 2wnx s ASP 142 CO 0.21 -0.69 1.22 0.21 -0.17 0.00 0.00 175.17 175.95 2wnx s ASN 143 N 2.65 6.58 0.00 -0.34 3.84 -1.26 -4.84 114.94 121.56 2wnx s ASN 143 Ca 0.41 -1.85 0.05 0.00 0.21 0.00 0.00 52.86 51.68 2wnx s ASN 143 Cb -0.04 -2.45 0.32 0.00 -0.55 0.00 0.00 41.25 38.53 2wnx s ASN 143 CO -0.01 -1.20 1.09 0.35 -2.79 0.00 0.00 177.10 174.53 2wnx n THR 144 N 5.90 0.00 0.63 -5.21 -2.24 -1.26 -2.17 114.28 109.93 2wnx n THR 144 Ca 0.26 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 2wnx n THR 144 Cb 0.50 -0.16 0.27 0.00 -2.10 0.00 0.00 70.33 68.83 2wnx n THR 144 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wnx n LYS 145 N -0.60 2.23 -3.99 -0.78 4.76 -1.26 -0.87 118.16 117.65 2wnx n LYS 145 Ca 0.04 -1.86 -0.35 0.00 -2.87 0.00 0.00 58.31 53.27 2wnx n LYS 145 Cb 0.02 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 31.66 2wnx n LYS 145 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wnx s ILE 146 N -1.58 4.98 0.14 -0.18 1.01 -0.92 -4.24 121.20 120.40 2wnx s ILE 146 Ca 0.36 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.10 2wnx s ILE 146 Cb 0.21 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2wnx s ILE 146 CO 0.29 0.51 0.02 0.42 0.00 0.00 0.00 174.94 176.19 2wnx s THR 147 N -0.10 3.95 0.04 2.92 -4.23 -0.94 -4.11 115.64 113.16 2wnx s THR 147 Ca 0.08 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2wnx s THR 147 Cb -0.12 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 2wnx s THR 147 CO 0.01 -0.03 -0.04 0.00 -0.54 0.00 0.00 174.62 174.02 2wnx s ALA 148 N -1.58 0.43 -0.00 3.99 0.00 -0.47 -0.48 121.76 123.65 2wnx s ALA 148 Ca 0.27 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 2wnx s ALA 148 Cb -0.10 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 2wnx s ALA 148 CO 0.19 -0.24 0.03 0.71 0.00 0.00 0.00 175.76 176.44 2wnx s TYR 149 N -2.75 0.07 -0.17 0.00 1.51 -0.07 -0.39 117.35 115.54 2wnx s TYR 149 Ca -0.02 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 2wnx s TYR 149 Cb -0.01 -0.06 0.01 0.00 -0.11 0.00 0.00 41.96 41.79 2wnx s TYR 149 CO -0.05 -0.10 -0.17 0.42 -1.11 0.00 0.00 175.55 174.54 2wnx s ILE 150 N -0.61 2.42 -1.54 2.71 1.01 -0.52 -1.79 121.20 122.89 2wnx s ILE 150 Ca -0.07 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 2wnx s ILE 150 Cb -0.04 -2.02 0.08 0.00 0.01 0.00 0.00 42.46 40.48 2wnx s ILE 150 CO -0.00 0.52 0.71 0.29 0.00 0.00 0.00 174.94 176.45 2wnx n LYS 151 N 4.32 -3.90 -0.98 2.79 5.02 -0.03 -1.61 118.16 123.77 2wnx n LYS 151 Ca -0.20 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2wnx n LYS 151 Cb 0.51 -5.01 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 2wnx n LYS 151 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wnx n ASP 152 N -2.84 -4.30 -4.66 4.39 8.00 -1.26 -5.00 116.55 110.89 2wnx n ASP 152 Ca -0.09 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.06 2wnx n ASP 152 Cb 0.58 -2.02 -0.09 0.00 -0.02 0.00 0.00 41.12 39.56 2wnx n ASP 152 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2wnx s LYS 153 N -1.01 3.84 0.15 -1.24 -0.14 -0.64 -5.02 119.74 115.68 2wnx s LYS 153 Ca 0.00 -0.34 -0.31 0.00 -1.36 0.00 0.00 55.97 53.96 2wnx s LYS 153 Cb 0.00 -3.17 -0.11 0.00 -1.68 0.00 0.00 37.83 32.88 2wnx s LYS 153 CO 0.00 0.35 1.78 -1.17 -0.76 0.00 0.00 175.35 175.56 2wnx s LEU 154 N 0.14 4.39 0.00 3.17 2.96 -1.26 -1.43 118.68 126.64 2wnx s LEU 154 Ca 0.05 2.78 0.00 0.00 -0.22 0.00 0.00 54.13 56.74 2wnx s LEU 154 Cb -0.12 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2wnx s LEU 154 CO 0.01 -0.99 0.00 0.29 -1.32 0.00 0.00 176.35 174.34 2wnx n LYS 155 N 5.10 2.82 -3.74 1.98 4.76 0.47 -4.91 118.16 124.64 2wnx n LYS 155 Ca 0.17 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 2wnx n LYS 155 Cb 0.37 -0.70 -0.11 0.00 -1.84 0.00 0.00 35.03 32.76 2wnx n LYS 155 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 2wnx s TYR 156 N -1.23 -0.43 0.00 2.13 5.04 -0.97 -4.60 117.35 117.30 2wnx s TYR 156 Ca 0.00 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 2wnx s TYR 156 Cb 0.00 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.46 2wnx s TYR 156 CO 0.00 -0.21 0.00 0.41 -1.34 0.00 0.00 175.55 174.41 2wnx n GLY 157 N 3.06 -2.66 3.07 8.97 0.00 -1.26 -1.37 105.19 115.01 2wnx n GLY 157 Ca -0.15 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 2wnx n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wnx s VAL 158 N -0.90 1.70 0.51 1.61 1.01 -0.05 -4.92 120.40 119.36 2wnx s VAL 158 Ca 0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.03 2wnx s VAL 158 Cb 0.00 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 2wnx s VAL 158 CO 0.00 0.48 1.19 -1.61 0.00 0.00 0.00 175.10 175.16 2wnx s GLU 159 N 1.16 3.48 0.31 2.72 2.02 -1.26 -4.69 118.70 122.44 2wnx s GLU 159 Ca -0.01 1.80 -0.29 0.00 0.02 0.00 0.00 54.97 56.48 2wnx s GLU 159 Cb -0.14 -2.23 -0.10 0.00 0.10 0.00 0.00 34.13 31.76 2wnx s GLU 159 CO -0.06 -0.79 1.40 0.00 0.02 0.00 0.00 175.26 175.83 2wnx s ALA 160 N -1.58 3.57 -0.18 5.21 0.00 -1.26 -4.98 121.76 122.54 2wnx s ALA 160 Ca 0.69 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.73 2wnx s ALA 160 Cb -0.29 -3.54 0.09 0.00 0.00 0.00 0.00 23.12 19.38 2wnx s ALA 160 CO 0.34 -0.77 0.81 0.00 0.00 0.00 0.00 175.76 176.13 2wnx s ALA 161 N -0.68 -1.84 -2.00 0.00 0.00 -1.26 -5.00 121.76 110.98 2wnx s ALA 161 Ca 0.54 1.70 0.15 0.00 0.00 0.00 0.00 51.96 54.35 2wnx s ALA 161 Cb -0.42 -0.77 0.88 0.00 0.00 0.00 0.00 23.12 22.80 2wnx s ALA 161 CO 0.51 -0.33 1.29 0.00 0.00 0.00 0.00 175.76 177.24