#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wnu n SER 3 N 0.00 1.62 -0.09 7.72 3.41 -1.26 -4.84 113.62 120.17 1wnu n SER 3 Ca 0.00 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1wnu n SER 3 Cb 0.00 -1.54 0.28 0.00 -0.26 0.00 0.00 64.21 62.69 1wnu n SER 3 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1wnu h ILE 4 N -0.10 1.18 -0.19 -1.33 6.09 -1.99 -2.15 117.51 119.02 1wnu h ILE 4 Ca -0.49 -0.56 -0.17 0.00 -1.37 0.00 0.00 64.86 62.27 1wnu h ILE 4 Cb 1.32 0.55 -0.00 0.00 0.47 0.00 0.00 36.82 39.16 1wnu h ILE 4 CO 0.50 0.22 -0.59 -0.33 -3.07 0.00 0.00 178.15 174.88 1wnu h GLU 5 N 0.73 0.62 0.00 2.19 5.08 -1.90 0.49 114.58 121.79 1wnu h GLU 5 Ca 0.18 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1wnu h GLU 5 Cb 0.12 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1wnu h GLU 5 CO -0.02 1.03 -0.23 0.28 -1.00 0.00 0.00 179.01 179.07 1wnu h VAL 6 N 0.47 1.13 0.09 3.13 2.07 -1.80 0.71 116.25 122.06 1wnu h VAL 6 Ca 0.00 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1wnu h VAL 6 Cb 1.15 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1wnu h VAL 6 CO 0.11 0.23 -0.05 -0.09 0.02 0.00 0.00 177.57 177.80 1wnu h ARG 7 N 0.00 -0.12 -0.71 1.57 2.43 -0.96 -2.57 114.38 114.01 1wnu h ARG 7 Ca -0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1wnu h ARG 7 Cb 0.42 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1wnu h ARG 7 CO 0.03 0.30 0.40 1.15 -1.51 0.00 0.00 179.97 180.35 1wnu h THR 8 N -0.59 1.21 -0.76 0.20 2.02 -0.39 -1.36 112.91 113.24 1wnu h THR 8 Ca -0.01 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 1wnu h THR 8 Cb 0.48 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1wnu h THR 8 CO 0.02 0.23 0.27 -0.74 0.37 0.00 0.00 175.52 175.67 1wnu h HIS 9 N 0.99 1.20 -0.52 3.16 -0.00 -0.87 -2.49 115.15 116.62 1wnu h HIS 9 Ca 0.25 -0.11 -0.07 0.00 -0.00 0.00 0.00 60.37 60.45 1wnu h HIS 9 Cb 0.00 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.04 1wnu h HIS 9 CO 0.01 0.93 0.04 0.77 -0.00 0.00 0.00 177.93 179.68 1wnu h SER 10 N 1.12 0.80 -0.72 3.26 0.02 -0.95 -2.24 113.55 114.84 1wnu h SER 10 Ca 0.25 -0.18 0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1wnu h SER 10 Cb 0.27 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1wnu h SER 10 CO -0.01 0.84 0.47 0.00 -1.14 0.00 0.00 176.83 176.99 1wnu h ALA 11 N 1.25 1.77 -0.62 3.77 0.00 -0.82 -2.06 119.26 122.55 1wnu h ALA 11 Ca 0.16 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1wnu h ALA 11 Cb 0.42 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1wnu h ALA 11 CO 0.01 0.11 0.15 -0.07 0.00 0.00 0.00 179.25 179.45 1wnu h LEU 12 N 0.69 0.03 -0.99 0.00 3.38 -1.19 0.90 115.31 118.12 1wnu h LEU 12 Ca 0.32 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.32 1wnu h LEU 12 Cb 0.34 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1wnu h LEU 12 CO -0.11 0.02 -0.18 0.45 0.09 0.00 0.00 178.44 178.71 1wnu h HIS 13 N 0.28 0.57 -0.08 1.13 3.86 -1.47 0.83 115.15 120.26 1wnu h HIS 13 Ca 0.33 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1wnu h HIS 13 Cb 0.49 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1wnu h HIS 13 CO -0.24 0.67 -0.14 0.28 0.86 0.00 0.00 177.93 179.36 1wnu h VAL 14 N 0.47 1.39 -0.80 2.45 2.07 -0.66 -2.67 116.25 118.51 1wnu h VAL 14 Ca 0.08 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1wnu h VAL 14 Cb 0.58 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 1wnu h VAL 14 CO 0.04 0.40 0.46 0.58 0.02 0.00 0.00 177.57 179.06 1wnu h VAL 15 N -0.21 1.23 -0.22 2.57 2.07 0.90 -2.07 116.25 120.52 1wnu h VAL 15 Ca 0.01 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1wnu h VAL 15 Cb 0.70 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1wnu h VAL 15 CO 0.03 0.25 0.10 0.50 0.02 0.00 0.00 177.57 178.48 1wnu h LYS 16 N 1.11 0.22 -0.67 1.57 3.11 -0.82 -0.35 116.57 120.74 1wnu h LYS 16 Ca 0.28 -0.01 0.05 0.00 -2.81 0.00 0.00 60.65 58.16 1wnu h LYS 16 Cb -0.00 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.13 1wnu h LYS 16 CO -0.05 0.14 0.39 0.78 -2.81 0.00 0.00 179.45 177.91 1wnu h GLY 17 N 0.22 0.98 1.06 5.01 0.00 -1.08 -0.96 103.07 108.30 1wnu h GLY 17 Ca 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1wnu h GLY 17 CO -0.06 0.21 0.40 0.00 0.00 0.00 0.00 176.54 177.08 1wnu h ALA 18 N 1.32 1.13 -0.44 3.60 0.00 -0.94 -1.19 119.26 122.74 1wnu h ALA 18 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wnu h ALA 18 Cb 0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1wnu h ALA 18 CO -0.15 0.66 0.29 0.28 0.00 0.00 0.00 179.25 180.33 1wnu h VAL 19 N 1.19 1.12 -0.34 0.00 2.07 -0.17 -1.45 116.25 118.67 1wnu h VAL 19 Ca 0.29 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.46 1wnu h VAL 19 Cb 0.12 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1wnu h VAL 19 CO -0.04 0.11 -0.29 0.58 0.02 0.00 0.00 177.57 177.96 1wnu h VAL 20 N 0.60 1.28 -0.58 2.57 2.07 -0.95 0.13 116.25 121.35 1wnu h VAL 20 Ca 0.16 -1.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1wnu h VAL 20 Cb -0.06 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1wnu h VAL 20 CO -0.03 0.46 0.15 0.11 0.02 0.00 0.00 177.57 178.28 1wnu h LYS 21 N 0.61 0.93 0.08 1.57 1.79 -0.88 0.47 116.57 121.13 1wnu h LYS 21 Ca 0.07 -0.22 -0.16 0.00 -2.18 0.00 0.00 60.65 58.17 1wnu h LYS 21 Cb 0.79 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1wnu h LYS 21 CO 0.07 0.85 -0.76 0.28 -1.08 0.00 0.00 179.45 178.81 1wnu h VAL 22 N 0.84 1.43 0.00 0.50 2.07 -1.18 -3.38 116.25 116.53 1wnu h VAL 22 Ca 0.18 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1wnu h VAL 22 Cb 0.33 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1wnu h VAL 22 CO -0.00 0.64 -0.64 -0.07 0.02 0.00 0.00 177.57 177.52 1wnu h LEU 23 N -0.60 0.00 0.00 2.57 4.07 -0.84 -3.51 115.31 117.00 1wnu h LEU 23 Ca -0.16 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1wnu h LEU 23 Cb 1.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.19 1wnu h LEU 23 CO 0.05 0.11 0.00 0.61 -1.08 0.00 0.00 178.44 178.12 1wnu n GLY 24 N 1.33 0.12 0.19 0.83 0.00 0.16 -4.56 105.19 103.26 1wnu n GLY 24 Ca 0.03 -1.98 0.14 0.00 0.00 0.00 0.00 46.02 44.21 1wnu n GLY 24 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wnu h SER 25 N 0.00 0.00 1.00 1.61 4.64 -1.95 -2.76 113.55 116.10 1wnu h SER 25 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wnu h SER 25 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1wnu h SER 25 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1wnu n GLU 26 N -2.46 0.15 -0.62 4.77 -0.58 -1.26 -2.17 120.64 118.47 1wnu n GLU 26 Ca -0.01 0.24 0.05 0.00 -0.42 0.00 0.00 57.16 57.03 1wnu n GLU 26 Cb 0.11 -1.72 0.28 0.00 -0.57 0.00 0.00 31.44 29.54 1wnu n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wnu n ALA 27 N -1.68 3.46 1.15 0.62 0.00 -1.04 -4.56 120.51 118.46 1wnu n ALA 27 Ca 0.04 -2.35 0.14 0.00 0.00 0.00 0.00 53.44 51.28 1wnu n ALA 27 Cb 0.31 -0.84 0.63 0.00 0.00 0.00 0.00 19.45 19.54 1wnu n ALA 27 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1wnu n LYS 28 N -0.36 0.17 -3.58 0.00 2.85 -0.92 -4.69 118.16 111.62 1wnu n LYS 28 Ca 0.26 -0.02 -0.38 0.00 -1.05 0.00 0.00 58.31 57.12 1wnu n LYS 28 Cb 1.02 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.79 1wnu n LYS 28 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1wnu s TRP 29 N -2.84 3.23 0.07 5.58 0.52 -1.26 -4.99 118.94 119.25 1wnu s TRP 29 Ca 0.19 0.15 -0.23 0.00 0.02 0.00 0.00 56.10 56.23 1wnu s TRP 29 Cb 0.19 -2.38 -0.06 0.00 -1.15 0.00 0.00 33.47 30.07 1wnu s TRP 29 CO 0.52 -0.14 0.69 0.99 0.02 0.00 0.00 176.95 179.03 1wnu s THR 30 N 1.71 4.68 -0.21 2.01 2.01 -1.26 -0.38 115.64 124.19 1wnu s THR 30 Ca 0.08 1.48 -0.11 0.00 0.31 0.00 0.00 61.69 63.45 1wnu s THR 30 Cb -0.16 -4.04 -0.19 0.00 0.01 0.00 0.00 72.50 68.13 1wnu s THR 30 CO 0.10 0.45 0.02 0.00 -0.69 0.00 0.00 174.62 174.51 1wnu n TYR 31 N 2.27 0.62 -3.64 4.92 9.36 0.10 -1.17 117.16 129.63 1wnu n TYR 31 Ca -0.06 0.20 -0.04 0.00 3.32 0.00 0.00 57.90 61.32 1wnu n TYR 31 Cb 0.50 -1.07 -0.01 0.00 -0.63 0.00 0.00 39.34 38.12 1wnu n TYR 31 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1wnu s SER 32 N -7.00 -0.21 -0.00 2.98 1.04 -1.10 -4.80 113.70 104.61 1wnu s SER 32 Ca -0.31 -0.19 -0.10 0.00 0.48 0.00 0.00 55.95 55.83 1wnu s SER 32 Cb 0.09 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1wnu s SER 32 CO 0.61 -0.64 0.19 0.42 0.98 0.00 0.00 173.24 174.80 1wnu s THR 33 N -3.00 0.08 -0.00 2.02 -4.23 -1.26 -1.49 115.64 107.76 1wnu s THR 33 Ca 0.10 -0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 59.94 1wnu s THR 33 Cb -0.00 -0.51 -0.00 0.00 1.34 0.00 0.00 72.50 73.33 1wnu s THR 33 CO -0.03 -0.35 0.06 -0.47 -0.54 0.00 0.00 174.62 173.29 1wnu s TYR 34 N -1.42 0.08 -0.02 3.99 5.04 -0.72 -4.99 117.35 119.30 1wnu s TYR 34 Ca -0.14 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.33 1wnu s TYR 34 Cb -0.07 -0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.20 1wnu s TYR 34 CO 0.02 -0.18 0.01 0.08 -1.34 0.00 0.00 175.55 174.14 1wnu s VAL 35 N -0.97 0.08 -0.23 3.14 1.01 -1.26 -0.46 120.40 121.71 1wnu s VAL 35 Ca -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1wnu s VAL 35 Cb -0.06 -0.18 0.09 0.00 0.00 0.00 0.00 36.38 36.22 1wnu s VAL 35 CO 0.00 0.11 0.14 -0.75 0.00 0.00 0.00 175.10 174.60 1wnu s LYS 36 N 0.93 0.15 7.98 2.72 2.47 -0.40 -5.03 119.74 128.56 1wnu s LYS 36 Ca -0.09 -0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.08 1wnu s LYS 36 Cb -0.12 -1.39 0.00 0.00 -1.46 0.00 0.00 37.83 34.86 1wnu s LYS 36 CO -0.02 -0.84 0.00 0.41 0.16 0.00 0.00 175.35 175.06 1wnu n GLY 37 N 5.27 3.73 0.95 5.54 0.00 -1.26 -1.63 105.19 117.80 1wnu n GLY 37 Ca -0.06 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1wnu n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wnu n ASN 38 N 8.88 2.86 -4.82 1.61 6.94 -1.26 -3.90 115.26 125.57 1wnu n ASN 38 Ca 0.00 -1.91 -0.34 0.00 -0.02 0.00 0.00 54.58 52.31 1wnu n ASN 38 Cb 0.00 -0.19 -0.07 0.00 -2.36 0.00 0.00 39.78 37.16 1wnu n ASN 38 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1wnu s LYS 39 N -1.62 3.21 0.01 -3.83 1.02 -0.64 -1.17 119.74 116.72 1wnu s LYS 39 Ca 0.36 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1wnu s LYS 39 Cb 0.21 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1wnu s LYS 39 CO 0.30 0.69 -0.02 0.20 -0.92 0.00 0.00 175.35 175.60 1wnu s GLY 40 N -1.53 0.15 -0.16 -3.33 0.00 0.38 -1.27 107.32 101.55 1wnu s GLY 40 Ca 0.21 -0.33 -0.00 0.00 0.00 0.00 0.00 44.72 44.60 1wnu s GLY 40 CO 0.12 -0.37 -0.07 0.14 0.00 0.00 0.00 173.10 172.92 1wnu s VAL 41 N -0.79 1.17 -0.27 1.40 1.01 0.39 -1.38 120.40 121.93 1wnu s VAL 41 Ca -0.08 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1wnu s VAL 41 Cb -0.05 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1wnu s VAL 41 CO -0.00 0.20 0.04 -0.22 0.00 0.00 0.00 175.10 175.11 1wnu s LEU 42 N 1.62 3.58 -0.24 3.92 2.96 -0.75 -1.76 118.68 128.01 1wnu s LEU 42 Ca 0.02 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.19 1wnu s LEU 42 Cb -0.15 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1wnu s LEU 42 CO -0.08 -0.15 0.04 -0.63 -1.32 0.00 0.00 176.35 174.21 1wnu s ILE 43 N 1.47 4.07 0.21 6.68 1.01 -0.55 -0.33 121.20 133.76 1wnu s ILE 43 Ca 0.03 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.53 1wnu s ILE 43 Cb -0.17 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1wnu s ILE 43 CO 0.01 0.36 -0.16 0.54 0.00 0.00 0.00 174.94 175.69 1wnu s VAL 44 N 1.55 2.79 -0.07 2.92 0.11 0.31 0.00 120.40 128.02 1wnu s VAL 44 Ca 0.06 -1.95 -0.30 0.00 -2.93 0.00 0.00 61.98 56.86 1wnu s VAL 44 Cb -0.15 -2.40 -0.02 0.00 -1.53 0.00 0.00 36.38 32.29 1wnu s VAL 44 CO 0.02 -0.19 1.04 -0.75 -3.33 0.00 0.00 175.10 171.89 1wnu s LYS 45 N -2.98 4.43 0.31 1.54 2.20 0.49 0.67 119.74 126.40 1wnu s LYS 45 Ca 0.25 1.46 -0.10 0.00 -0.36 0.00 0.00 55.97 57.22 1wnu s LYS 45 Cb -0.08 -3.52 0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1wnu s LYS 45 CO 0.14 -0.29 0.54 0.12 -0.36 0.00 0.00 175.35 175.50 1wnu s PHE 46 N 1.83 0.55 -0.23 4.03 5.36 -0.03 -4.20 117.98 125.29 1wnu s PHE 46 Ca 0.51 -0.93 0.04 0.00 -0.96 0.00 0.00 56.93 55.59 1wnu s PHE 46 Cb -0.20 0.23 -0.03 0.00 -0.34 0.00 0.00 43.02 42.67 1wnu s PHE 46 CO 0.21 -1.16 0.23 -0.40 -1.46 0.00 0.00 175.22 172.65 1wnu n ASP 47 N -0.94 0.37 -4.06 6.13 3.85 -1.26 -3.96 116.55 116.68 1wnu n ASP 47 Ca -0.02 -0.68 -0.10 0.00 -0.71 0.00 0.00 54.79 53.28 1wnu n ASP 47 Cb 0.61 0.83 -0.07 0.00 -1.35 0.00 0.00 41.12 41.15 1wnu n ASP 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1wnu s ARG 48 N -1.18 1.42 -0.43 0.11 1.70 -1.26 -5.06 118.95 114.24 1wnu s ARG 48 Ca 0.02 -1.36 -0.21 0.00 -0.47 0.00 0.00 55.73 53.71 1wnu s ARG 48 Cb 0.03 0.41 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 1wnu s ARG 48 CO 0.13 -0.56 0.66 0.21 -1.08 0.00 0.00 175.30 174.67 1wnu s LYS 49 N -4.06 3.33 0.65 3.89 2.47 -1.26 -4.96 119.74 119.80 1wnu s LYS 49 Ca 0.27 -0.30 -0.17 0.00 -1.56 0.00 0.00 55.97 54.21 1wnu s LYS 49 Cb 0.02 -3.94 -0.06 0.00 -1.46 0.00 0.00 37.83 32.40 1wnu s LYS 49 CO 0.09 -1.00 0.61 -2.30 0.16 0.00 0.00 175.35 172.91 1wnu n PRO 50 N 6.30 0.48 -1.73 4.03 -0.02 -1.26 -4.96 135.00 137.84 1wnu n PRO 50 Ca -0.01 0.20 -0.30 0.00 -2.02 0.00 0.00 63.50 61.36 1wnu n PRO 50 Cb 0.48 -1.84 0.05 0.00 -0.02 0.00 0.00 33.50 32.17 1wnu n PRO 50 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1wnu s SER 51 N -1.33 5.34 0.54 2.55 1.04 -1.26 -4.86 113.70 115.71 1wnu s SER 51 Ca 0.69 1.33 0.24 0.00 0.48 0.00 0.00 55.95 58.69 1wnu s SER 51 Cb -0.40 -2.18 1.49 0.00 0.10 0.00 0.00 66.02 65.04 1wnu s SER 51 CO 0.54 -1.43 2.15 0.44 0.98 0.00 0.00 173.24 175.93 1wnu h ASP 52 N -0.72 0.00 -0.14 7.02 3.45 -2.00 -1.50 116.42 122.53 1wnu h ASP 52 Ca -0.45 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 56.79 1wnu h ASP 52 Cb 1.24 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.01 1wnu h ASP 52 CO 0.61 0.05 -0.76 -0.08 -1.57 0.00 0.00 179.24 177.49 1wnu h GLU 53 N 0.00 0.79 -0.33 3.56 4.81 -1.99 -2.51 114.58 118.90 1wnu h GLU 53 Ca -0.00 -0.63 -0.12 0.00 -0.13 0.00 0.00 59.36 58.47 1wnu h GLU 53 Cb 0.12 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1wnu h GLU 53 CO 0.01 1.24 -0.29 0.93 -0.73 0.00 0.00 179.01 180.17 1wnu h GLU 54 N 0.55 0.70 -0.52 1.92 5.08 -1.68 -1.66 114.58 118.96 1wnu h GLU 54 Ca -0.05 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1wnu h GLU 54 Cb 1.39 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 1wnu h GLU 54 CO 0.16 0.91 0.31 0.82 -1.00 0.00 0.00 179.01 180.21 1wnu h ILE 55 N 0.60 1.16 -1.00 3.13 1.08 -1.28 0.50 117.51 121.70 1wnu h ILE 55 Ca 0.07 -0.36 0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1wnu h ILE 55 Cb 0.80 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.95 1wnu h ILE 55 CO 0.07 0.16 0.65 -0.09 -0.69 0.00 0.00 178.15 178.25 1wnu h ARG 56 N 0.70 1.20 -0.29 2.37 2.43 -1.11 -0.82 114.38 118.85 1wnu h ARG 56 Ca 0.19 -0.07 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1wnu h ARG 56 Cb -0.01 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1wnu h ARG 56 CO -0.03 0.79 -0.20 1.49 -1.51 0.00 0.00 179.97 180.51 1wnu h GLU 57 N 1.23 0.65 -0.72 0.20 4.57 -0.59 0.53 114.58 120.46 1wnu h GLU 57 Ca 0.41 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1wnu h GLU 57 Cb 0.06 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 1wnu h GLU 57 CO -0.14 0.90 0.44 0.82 -1.18 0.00 0.00 179.01 179.86 1wnu h ILE 58 N 0.40 1.07 0.64 2.32 2.04 -0.21 0.12 117.51 123.89 1wnu h ILE 58 Ca 0.06 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1wnu h ILE 58 Cb 0.74 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1wnu h ILE 58 CO 0.05 0.16 -0.31 -0.08 0.00 0.00 0.00 178.15 177.97 1wnu h GLU 59 N 0.85 -0.82 -0.10 2.37 4.81 -0.99 -0.15 114.58 120.55 1wnu h GLU 59 Ca 0.30 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1wnu h GLU 59 Cb 0.06 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1wnu h GLU 59 CO -0.13 -0.51 -0.40 -0.09 -0.73 0.00 0.00 179.01 177.15 1wnu h ARG 60 N -0.98 -0.42 -0.82 1.92 1.12 -0.55 0.39 114.38 115.03 1wnu h ARG 60 Ca -0.09 0.03 0.16 0.00 -1.11 0.00 0.00 59.98 58.97 1wnu h ARG 60 Cb 0.69 0.09 -0.06 0.00 -0.01 0.00 0.00 29.97 30.69 1wnu h ARG 60 CO 0.14 -0.28 0.54 -0.07 -3.11 0.00 0.00 179.97 177.20 1wnu h LEU 61 N -0.43 0.46 -0.52 3.80 3.38 -0.79 0.48 115.31 121.69 1wnu h LEU 61 Ca 0.02 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1wnu h LEU 61 Cb 0.50 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1wnu h LEU 61 CO -0.32 0.23 -0.27 0.00 0.09 0.00 0.00 178.44 178.17 1wnu h ALA 62 N 1.62 0.71 0.00 1.53 0.00 0.25 -2.14 119.26 121.23 1wnu h ALA 62 Ca 0.41 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1wnu h ALA 62 Cb 0.89 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1wnu h ALA 62 CO -0.15 0.67 -0.63 -0.91 0.00 0.00 0.00 179.25 178.22 1wnu h ASN 63 N 0.79 0.00 -0.16 0.00 2.35 0.52 -2.88 115.58 116.19 1wnu h ASN 63 Ca 0.09 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 1wnu h ASN 63 Cb 0.83 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1wnu h ASN 63 CO 0.07 0.63 -0.35 -0.08 -1.65 0.00 0.00 177.43 176.06 1wnu h GLU 64 N 0.00 0.68 0.00 0.81 4.57 -0.80 -2.00 114.58 117.83 1wnu h GLU 64 Ca -0.01 -0.32 -0.07 0.00 -1.18 0.00 0.00 59.36 57.78 1wnu h GLU 64 Cb 1.19 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1wnu h GLU 64 CO 0.08 0.92 -0.35 -0.22 -1.18 0.00 0.00 179.01 178.26 1wnu h LYS 65 N 0.57 0.00 -0.22 1.92 1.63 -1.28 -1.89 116.57 117.30 1wnu h LYS 65 Ca 0.06 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.75 1wnu h LYS 65 Cb 0.86 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1wnu h LYS 65 CO 0.07 0.35 -0.27 0.28 -3.45 0.00 0.00 179.45 176.44 1wnu h VAL 66 N 0.00 1.32 0.00 2.00 2.07 -1.18 -3.13 116.25 117.34 1wnu h VAL 66 Ca -0.00 -1.45 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 1wnu h VAL 66 Cb 0.63 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1wnu h VAL 66 CO 0.05 0.45 -0.24 0.11 0.02 0.00 0.00 177.57 177.95 1wnu h LYS 67 N 0.26 0.00 0.00 1.57 1.79 -1.09 -1.97 116.57 117.14 1wnu h LYS 67 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1wnu h LYS 67 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1wnu h LYS 67 CO 0.06 0.24 0.00 1.49 -1.08 0.00 0.00 179.45 180.17 1wnu h GLU 68 N 0.00 0.00 -6.31 3.15 4.81 -1.29 -3.47 114.58 111.47 1wnu h GLU 68 Ca -0.00 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.77 1wnu h GLU 68 Cb 0.59 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1wnu h GLU 68 CO 0.03 0.00 -0.89 -1.71 -0.73 0.00 0.00 179.01 175.71 1wnu n ASN 69 N -2.48 -2.04 -4.79 1.04 2.85 -0.77 -4.93 115.26 104.15 1wnu n ASN 69 Ca 0.02 -0.97 -0.36 0.00 -0.11 0.00 0.00 54.58 53.16 1wnu n ASN 69 Cb 0.25 -3.40 -0.04 0.00 1.24 0.00 0.00 39.78 37.83 1wnu n ASN 69 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wnu s ALA 70 N -3.74 3.08 0.31 5.20 0.00 -1.26 -4.61 121.76 120.74 1wnu s ALA 70 Ca 0.15 0.65 -0.27 0.00 0.00 0.00 0.00 51.96 52.49 1wnu s ALA 70 Cb -0.05 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1wnu s ALA 70 CO 0.86 -0.16 0.99 -1.25 0.00 0.00 0.00 175.76 176.21 1wnu s PRO 71 N -2.55 4.58 -0.89 0.00 0.04 -1.26 0.39 135.00 135.31 1wnu s PRO 71 Ca 0.58 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1wnu s PRO 71 Cb -0.20 -2.93 0.23 0.00 0.04 0.00 0.00 34.50 31.63 1wnu s PRO 71 CO 0.26 0.25 0.83 0.42 0.04 0.00 0.00 177.00 178.80 1wnu s ILE 72 N -1.44 5.55 0.40 0.56 1.01 -0.73 -4.61 121.20 121.94 1wnu s ILE 72 Ca 0.48 -2.79 -0.24 0.00 0.00 0.00 0.00 60.65 58.10 1wnu s ILE 72 Cb -0.23 -4.41 -0.09 0.00 0.01 0.00 0.00 42.46 37.74 1wnu s ILE 72 CO 0.29 -1.06 1.06 -0.54 0.00 0.00 0.00 174.94 174.69 1wnu s LYS 73 N -0.27 4.15 -0.38 2.79 1.02 -0.44 -4.83 119.74 121.79 1wnu s LYS 73 Ca 0.21 1.54 0.02 0.00 0.02 0.00 0.00 55.97 57.75 1wnu s LYS 73 Cb -0.11 -2.55 0.11 0.00 -0.52 0.00 0.00 37.83 34.77 1wnu s LYS 73 CO -0.08 -0.16 0.15 0.42 -0.92 0.00 0.00 175.35 174.75 1wnu s ILE 74 N -1.64 1.48 0.27 2.17 1.01 -1.26 -0.46 121.20 122.77 1wnu s ILE 74 Ca 0.58 -2.13 -0.20 0.00 0.00 0.00 0.00 60.65 58.89 1wnu s ILE 74 Cb -0.23 -2.08 -0.09 0.00 0.01 0.00 0.00 42.46 40.08 1wnu s ILE 74 CO 0.28 -0.74 0.78 -0.31 0.00 0.00 0.00 174.94 174.95 1wnu s TYR 75 N 0.90 3.59 -0.32 3.97 1.51 -0.57 -4.89 117.35 121.53 1wnu s TYR 75 Ca 0.13 1.45 0.02 0.00 -1.01 0.00 0.00 57.07 57.66 1wnu s TYR 75 Cb -0.21 -2.67 0.10 0.00 -0.11 0.00 0.00 41.96 39.07 1wnu s TYR 75 CO -0.11 0.25 0.06 -2.00 -1.11 0.00 0.00 175.55 172.63 1wnu s GLU 76 N -2.23 1.20 0.40 -0.62 2.12 -1.26 -0.39 118.70 117.93 1wnu s GLU 76 Ca 0.47 -1.52 0.05 0.00 0.36 0.00 0.00 54.97 54.33 1wnu s GLU 76 Cb -0.15 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 1wnu s GLU 76 CO 0.20 -0.94 0.17 -0.48 -0.54 0.00 0.00 175.26 173.68 1wnu s LEU 77 N 1.20 1.94 0.27 2.70 0.05 -0.57 -4.97 118.68 119.30 1wnu s LEU 77 Ca 0.09 -1.73 -0.29 0.00 0.05 0.00 0.00 54.13 52.25 1wnu s LEU 77 Cb -0.18 0.06 -0.09 0.00 -2.05 0.00 0.00 46.19 43.92 1wnu s LEU 77 CO -0.14 -0.99 1.14 -2.84 -0.55 0.00 0.00 176.35 172.96 1wnu s PRO 78 N -3.63 4.58 0.17 1.48 0.02 -1.26 -0.75 135.00 135.62 1wnu s PRO 78 Ca 0.26 1.87 -0.26 0.00 0.02 0.00 0.00 61.00 62.89 1wnu s PRO 78 Cb 0.02 -3.18 0.03 0.00 0.02 0.00 0.00 34.50 31.39 1wnu s PRO 78 CO 0.17 0.12 1.56 -0.09 -0.33 0.00 0.00 177.00 178.43 1wnu h ARG 79 N 3.94 -0.18 -0.25 5.54 2.43 -1.83 0.16 114.38 124.19 1wnu h ARG 79 Ca -0.47 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.76 1wnu h ARG 79 Cb 1.21 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.73 1wnu h ARG 79 CO 0.68 -0.12 -0.53 1.05 -1.51 0.00 0.00 179.97 179.53 1wnu h GLU 80 N -0.19 -0.48 0.32 0.20 4.11 -1.92 0.51 114.58 117.13 1wnu h GLU 80 Ca 0.18 0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.64 1wnu h GLU 80 Cb 0.55 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1wnu h GLU 80 CO -0.75 -0.32 -0.20 0.93 0.07 0.00 0.00 179.01 178.74 1wnu h GLU 81 N -0.50 -0.49 -0.81 1.06 4.39 -1.70 -1.82 114.58 114.72 1wnu h GLU 81 Ca 0.06 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.93 1wnu h GLU 81 Cb 0.64 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 29.31 1wnu h GLU 81 CO -0.50 -0.32 0.40 0.00 -1.16 0.00 0.00 179.01 177.42 1wnu h ALA 82 N 0.15 1.19 -0.66 3.43 0.00 -0.47 0.29 119.26 123.18 1wnu h ALA 82 Ca -0.03 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1wnu h ALA 82 Cb 0.42 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1wnu h ALA 82 CO 0.03 -0.10 0.21 1.49 0.00 0.00 0.00 179.25 180.88 1wnu h GLU 83 N 0.59 0.34 -1.26 0.00 4.81 0.71 0.45 114.58 120.22 1wnu h GLU 83 Ca 0.43 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1wnu h GLU 83 Cb 0.59 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1wnu h GLU 83 CO -0.35 0.22 0.03 1.17 -0.73 0.00 0.00 179.01 179.35 1wnu n LYS 84 N -5.06 1.05 0.00 1.92 3.00 0.10 -0.68 118.16 118.49 1wnu n LYS 84 Ca 0.11 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wnu n LYS 84 Cb 0.35 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 34.34 1wnu n LYS 84 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1wnu n PHE 86 N 0.70 0.00 -2.77 5.64 3.72 0.15 -5.06 117.46 119.84 1wnu n PHE 86 Ca 0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.49 1wnu n PHE 86 Cb 0.53 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.06 1wnu n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wnu n GLY 87 N -0.26 -1.70 0.37 1.37 0.00 0.15 -4.07 105.19 101.04 1wnu n GLY 87 Ca 0.00 -1.22 0.19 0.00 0.00 0.00 0.00 46.02 44.99 1wnu n GLY 87 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wnu h GLU 88 N 0.00 0.00 -3.09 1.61 4.81 -1.94 -3.42 114.58 112.55 1wnu h GLU 88 Ca 0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1wnu h GLU 88 Cb 0.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1wnu h GLU 88 CO 0.00 0.00 0.60 -0.25 -0.73 0.00 0.00 179.01 178.63 1wnu n ASP 89 N -3.92 0.76 -0.02 1.04 9.92 -1.26 -4.76 116.55 118.30 1wnu n ASP 89 Ca 0.06 -1.72 0.00 0.00 -0.53 0.00 0.00 54.79 52.60 1wnu n ASP 89 Cb 0.53 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 1wnu n ASP 89 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1wnu n TYR 91 N 3.35 0.00 -4.31 1.24 4.01 -1.26 -4.72 117.16 115.47 1wnu n TYR 91 Ca 0.06 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.66 1wnu n TYR 91 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1wnu n TYR 91 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1wnu n ASP 92 N -0.71 2.59 -0.26 7.72 8.00 -1.26 -4.72 116.55 127.90 1wnu n ASP 92 Ca 0.00 -1.97 -0.05 0.00 0.71 0.00 0.00 54.79 53.47 1wnu n ASP 92 Cb 0.08 0.15 0.05 0.00 -0.02 0.00 0.00 41.12 41.39 1wnu n ASP 92 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wnu h LEU 93 N 0.00 0.89 -8.65 0.64 3.38 -1.47 -3.39 115.31 106.71 1wnu h LEU 93 Ca -0.18 -0.09 -0.62 0.00 0.09 0.00 0.00 57.88 57.07 1wnu h LEU 93 Cb 0.56 -0.23 -0.13 0.00 0.09 0.00 0.00 40.66 40.96 1wnu h LEU 93 CO 0.30 0.73 0.36 0.12 0.09 0.00 0.00 178.44 180.04 1wnu s PHE 94 N -5.87 3.01 0.46 1.13 5.36 -1.26 -5.04 117.98 115.76 1wnu s PHE 94 Ca -0.13 0.22 -0.24 0.00 -0.96 0.00 0.00 56.93 55.82 1wnu s PHE 94 Cb 0.14 -3.64 -0.08 0.00 -0.34 0.00 0.00 43.02 39.11 1wnu s PHE 94 CO 0.79 -0.96 1.29 -2.30 -1.46 0.00 0.00 175.22 172.59 1wnu n PRO 95 N 6.69 1.86 -2.50 10.12 -0.02 -1.26 -4.96 135.00 144.93 1wnu n PRO 95 Ca 0.02 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1wnu n PRO 95 Cb 0.48 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1wnu n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wnu s VAL 96 N -1.24 4.38 0.45 -1.45 1.01 -1.26 -4.95 120.40 117.34 1wnu s VAL 96 Ca 0.64 1.68 -0.16 0.00 0.00 0.00 0.00 61.98 64.15 1wnu s VAL 96 Cb -0.47 -4.08 -0.13 0.00 0.00 0.00 0.00 36.38 31.69 1wnu s VAL 96 CO 0.55 -0.03 -0.13 -2.65 0.00 0.00 0.00 175.10 172.84 1wnu n PRO 97 N 5.47 0.00 -0.00 2.72 -0.02 -1.26 -4.84 135.00 137.06 1wnu n PRO 97 Ca 0.11 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.74 1wnu n PRO 97 Cb 0.46 -0.87 0.79 0.00 -0.02 0.00 0.00 33.50 33.86 1wnu n PRO 97 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1wnu n GLU 98 N 1.34 1.16 0.05 -0.52 -0.58 -1.26 -3.01 120.64 117.83 1wnu n GLU 98 Ca 0.07 -0.24 0.13 0.00 -0.42 0.00 0.00 57.16 56.70 1wnu n GLU 98 Cb 0.41 -1.46 0.50 0.00 -0.57 0.00 0.00 31.44 30.32 1wnu n GLU 98 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wnu n ASP 99 N -0.68 0.40 -4.48 1.62 9.92 -1.26 -4.63 116.55 117.44 1wnu n ASP 99 Ca 0.21 0.50 -0.43 0.00 -0.53 0.00 0.00 54.79 54.54 1wnu n ASP 99 Cb 0.16 -0.58 -0.06 0.00 -0.64 0.00 0.00 41.12 40.00 1wnu n ASP 99 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wnu s VAL 100 N -3.05 4.76 -1.49 2.53 1.01 -1.16 -4.92 120.40 118.08 1wnu s VAL 100 Ca 0.12 -0.19 0.25 0.00 0.00 0.00 0.00 61.98 62.16 1wnu s VAL 100 Cb 0.16 -4.33 0.09 0.00 0.00 0.00 0.00 36.38 32.30 1wnu s VAL 100 CO 0.57 -0.82 1.37 0.54 0.00 0.00 0.00 175.10 176.76 1wnu n ARG 101 N 6.46 0.55 -4.09 2.72 5.12 -1.26 -4.85 116.66 121.32 1wnu n ARG 101 Ca -0.04 -0.37 -0.20 0.00 -1.93 0.00 0.00 57.85 55.31 1wnu n ARG 101 Cb 0.46 -1.49 -0.16 0.00 -1.16 0.00 0.00 32.46 30.11 1wnu n ARG 101 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wnu s ILE 102 N -2.70 0.49 0.04 0.55 1.01 -1.26 -2.51 121.20 116.82 1wnu s ILE 102 Ca 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.77 1wnu s ILE 102 Cb 0.18 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1wnu s ILE 102 CO 0.62 0.22 0.04 -0.76 0.00 0.00 0.00 174.94 175.06 1wnu s LEU 103 N 1.07 3.64 -0.39 2.97 1.43 0.07 -4.90 118.68 122.57 1wnu s LEU 103 Ca -0.09 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 1wnu s LEU 103 Cb -0.14 -2.23 0.08 0.00 0.03 0.00 0.00 46.19 43.92 1wnu s LEU 103 CO -0.01 0.22 0.19 -0.54 0.23 0.00 0.00 176.35 176.45 1wnu s LYS 104 N -2.01 2.45 -0.22 1.70 -0.14 -1.26 -1.51 119.74 118.75 1wnu s LYS 104 Ca 0.24 -1.48 -0.08 0.00 -1.36 0.00 0.00 55.97 53.29 1wnu s LYS 104 Cb -0.12 -3.62 -0.04 0.00 -1.68 0.00 0.00 37.83 32.38 1wnu s LYS 104 CO 0.16 -0.90 0.09 0.54 -0.76 0.00 0.00 175.35 174.48 1wnu s VAL 105 N 1.34 4.72 -0.10 3.17 0.11 0.48 -0.59 120.40 129.52 1wnu s VAL 105 Ca 0.02 -0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 58.83 1wnu s VAL 105 Cb -0.22 -3.18 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 1wnu s VAL 105 CO 0.00 0.38 0.57 -0.69 -3.33 0.00 0.00 175.10 172.04 1wnu s VAL 106 N 1.05 5.13 -0.03 2.04 1.01 0.77 -1.52 120.40 128.85 1wnu s VAL 106 Ca 0.05 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1wnu s VAL 106 Cb -0.14 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1wnu s VAL 106 CO 0.03 0.29 -0.08 0.54 0.00 0.00 0.00 175.10 175.88 1wnu s VAL 107 N 0.73 0.72 -0.45 2.92 0.11 0.39 -0.75 120.40 124.07 1wnu s VAL 107 Ca 0.31 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 1wnu s VAL 107 Cb -0.16 -0.65 0.13 0.00 -1.53 0.00 0.00 36.38 34.16 1wnu s VAL 107 CO 0.13 0.23 0.22 -0.63 -3.33 0.00 0.00 175.10 171.73 1wnu s ILE 108 N 0.30 1.79 -0.11 7.04 1.01 -0.15 -1.32 121.20 129.76 1wnu s ILE 108 Ca -0.05 -2.69 -0.18 0.00 0.00 0.00 0.00 60.65 57.73 1wnu s ILE 108 Cb -0.09 -2.26 -0.08 0.00 0.01 0.00 0.00 42.46 40.03 1wnu s ILE 108 CO 0.00 -0.83 0.56 1.21 0.00 0.00 0.00 174.94 175.89 1wnu n GLU 109 N 3.55 0.00 -2.52 2.79 4.07 -1.26 -0.40 120.64 126.87 1wnu n GLU 109 Ca 0.06 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.97 1wnu n GLU 109 Cb 0.35 -0.63 -0.00 0.00 -0.06 0.00 0.00 31.44 31.09 1wnu n GLU 109 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1wnu n ASP 110 N 1.17 -5.39 0.03 4.31 8.00 -1.26 -4.74 116.55 118.66 1wnu n ASP 110 Ca 0.11 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1wnu n ASP 110 Cb 0.00 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 36.62 1wnu n ASP 110 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1wnu n TRP 111 N -3.92 -0.85 -3.64 1.24 -0.00 0.47 -5.13 117.44 105.61 1wnu n TRP 111 Ca -0.20 0.11 -0.09 0.00 -0.00 0.00 0.00 57.50 57.32 1wnu n TRP 111 Cb 0.66 0.62 -0.07 0.00 -0.00 0.00 0.00 31.31 32.51 1wnu n TRP 111 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1wnu s ASN 112 N -4.50 -0.62 -0.07 5.87 3.04 -0.91 -4.13 114.94 113.62 1wnu s ASN 112 Ca 0.00 1.12 0.01 0.00 0.04 0.00 0.00 52.86 54.03 1wnu s ASN 112 Cb 0.00 1.17 0.02 0.00 -1.54 0.00 0.00 41.25 40.90 1wnu s ASN 112 CO 0.00 -0.19 -0.08 -0.69 -3.04 0.00 0.00 177.10 173.10 1wnu s VAL 113 N 0.64 0.85 -0.18 -5.21 1.01 -1.26 -0.98 120.40 115.28 1wnu s VAL 113 Ca -0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 1wnu s VAL 113 Cb -0.05 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.55 1wnu s VAL 113 CO -0.07 0.31 0.43 0.21 0.00 0.00 0.00 175.10 175.98 1wnu s ASN 114 N 1.04 -0.55 -0.36 3.32 3.84 0.07 -4.54 114.94 117.76 1wnu s ASN 114 Ca -0.08 0.94 -0.28 0.00 0.21 0.00 0.00 52.86 53.65 1wnu s ASN 114 Cb -0.14 0.83 -0.02 0.00 -0.55 0.00 0.00 41.25 41.36 1wnu s ASN 114 CO -0.00 -0.20 1.83 0.00 -2.79 0.00 0.00 177.10 175.94 1wnu s ALA 115 N 1.36 2.76 -0.01 1.71 0.00 -1.26 -0.17 121.76 126.16 1wnu s ALA 115 Ca -0.09 0.18 -0.00 0.00 0.00 0.00 0.00 51.96 52.04 1wnu s ALA 115 Cb -0.08 -4.05 0.01 0.00 0.00 0.00 0.00 23.12 19.00 1wnu s ALA 115 CO -0.13 -2.81 0.01 0.00 0.00 0.00 0.00 175.76 172.83 1wnu n ASN 117 N 3.38 2.18 -4.90 0.00 3.02 -1.26 -4.55 115.26 113.12 1wnu n ASN 117 Ca -0.16 -1.59 -0.29 0.00 -0.03 0.00 0.00 54.58 52.51 1wnu n ASN 117 Cb 0.57 0.20 0.07 0.00 -0.61 0.00 0.00 39.78 40.02 1wnu n ASN 117 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1wnu s LYS 118 N -1.74 2.29 0.03 3.52 1.02 -1.26 -5.03 119.74 118.57 1wnu s LYS 118 Ca 0.18 0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 1wnu s LYS 118 Cb 0.15 -2.00 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1wnu s LYS 118 CO 0.32 -1.37 0.98 -2.00 -0.92 0.00 0.00 175.35 172.36 1wnu s GLU 119 N -5.47 4.59 0.31 1.68 2.12 -1.26 -5.06 118.70 115.61 1wnu s GLU 119 Ca 0.60 1.44 0.11 0.00 0.36 0.00 0.00 54.97 57.48 1wnu s GLU 119 Cb -0.11 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.79 1wnu s GLU 119 CO 0.49 0.01 -0.15 -1.01 -0.54 0.00 0.00 175.26 174.07 1wnu s HIS 120 N 0.75 2.32 0.63 5.30 3.76 -1.26 -4.78 115.29 122.01 1wnu s HIS 120 Ca 0.51 -0.42 -0.12 0.00 -0.15 0.00 0.00 55.06 54.88 1wnu s HIS 120 Cb -0.22 -1.17 -0.03 0.00 1.11 0.00 0.00 32.58 32.28 1wnu s HIS 120 CO 0.29 0.64 1.04 0.95 -0.85 0.00 0.00 174.74 176.80 1wnu s THR 121 N -2.58 4.42 0.22 1.30 -4.23 -1.26 -4.96 115.64 108.55 1wnu s THR 121 Ca 0.31 0.84 0.20 0.00 -1.18 0.00 0.00 61.69 61.86 1wnu s THR 121 Cb -0.01 -3.67 0.16 0.00 1.34 0.00 0.00 72.50 70.31 1wnu s THR 121 CO 0.15 -0.97 1.79 0.11 -0.54 0.00 0.00 174.62 175.17 1wnu h LYS 122 N -0.27 0.00 -3.58 3.99 1.79 -1.97 -3.41 116.57 113.11 1wnu h LYS 122 Ca -0.44 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.93 1wnu h LYS 122 Cb 1.20 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.69 1wnu h LYS 122 CO 0.60 0.33 -0.34 0.95 -1.08 0.00 0.00 179.45 179.92 1wnu s THR 123 N -3.76 0.11 0.43 -0.16 -4.23 -1.26 -1.77 115.64 105.01 1wnu s THR 123 Ca -0.01 -0.93 0.11 0.00 -1.18 0.00 0.00 61.69 59.68 1wnu s THR 123 Cb 0.12 -1.08 0.22 0.00 1.34 0.00 0.00 72.50 73.10 1wnu s THR 123 CO 0.67 -0.51 2.03 0.71 -0.54 0.00 0.00 174.62 176.98 1wnu h THR 124 N 3.10 1.10 -0.03 3.99 1.35 -0.32 -2.30 112.91 119.80 1wnu h THR 124 Ca -0.33 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.14 1wnu h THR 124 Cb 1.20 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1wnu h THR 124 CO 0.50 0.13 -0.07 1.23 -0.25 0.00 0.00 175.52 177.07 1wnu h GLY 125 N 0.47 0.04 0.91 5.82 0.00 -1.72 -1.95 103.07 106.63 1wnu h GLY 125 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1wnu h GLY 125 CO -0.00 0.02 0.00 1.18 0.00 0.00 0.00 176.54 177.74 1wnu n GLU 126 N -4.44 0.40 -0.09 4.80 1.02 -0.87 -2.90 120.64 118.57 1wnu n GLU 126 Ca -0.02 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.89 1wnu n GLU 126 Cb 0.16 -1.45 -0.12 0.00 -0.02 0.00 0.00 31.44 30.01 1wnu n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1wnu n ILE 127 N -0.95 1.56 0.00 -3.67 5.41 -0.73 -4.91 119.36 116.07 1wnu n ILE 127 Ca 0.09 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1wnu n ILE 127 Cb 0.04 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 36.98 1wnu n ILE 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wnu n GLY 128 N 1.49 0.69 3.63 7.39 0.00 -1.14 -4.85 105.19 112.39 1wnu n GLY 128 Ca -0.34 -1.87 -0.55 0.00 0.00 0.00 0.00 46.02 43.25 1wnu n GLY 128 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wnu n PRO 129 N 1.01 1.00 -4.50 1.61 -0.04 -1.26 -4.82 135.00 128.00 1wnu n PRO 129 Ca 0.00 0.36 -0.34 0.00 -0.04 0.00 0.00 63.50 63.48 1wnu n PRO 129 Cb 0.00 -2.00 -0.11 0.00 -0.04 0.00 0.00 33.50 31.35 1wnu n PRO 129 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wnu s ILE 130 N 1.61 3.95 -0.12 0.52 1.01 -1.26 -2.02 121.20 124.88 1wnu s ILE 130 Ca 0.91 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 61.19 1wnu s ILE 130 Cb -1.05 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 38.79 1wnu s ILE 130 CO 0.56 0.58 -0.13 -0.75 0.00 0.00 0.00 174.94 175.20 1wnu s LYS 131 N -0.60 2.05 -0.37 2.79 2.20 -0.51 -4.87 119.74 120.43 1wnu s LYS 131 Ca 0.09 -0.48 -0.27 0.00 -0.36 0.00 0.00 55.97 54.95 1wnu s LYS 131 Cb -0.12 -1.84 0.02 0.00 -1.51 0.00 0.00 37.83 34.38 1wnu s LYS 131 CO 0.02 -0.15 0.98 0.42 -0.36 0.00 0.00 175.35 176.26 1wnu s ILE 132 N 1.26 4.54 -0.14 5.43 1.01 -1.26 0.00 121.20 132.03 1wnu s ILE 132 Ca -0.01 1.33 -0.16 0.00 0.00 0.00 0.00 60.65 61.80 1wnu s ILE 132 Cb -0.14 -4.37 -0.24 0.00 0.01 0.00 0.00 42.46 37.71 1wnu s ILE 132 CO -0.05 -0.56 0.41 0.03 0.00 0.00 0.00 174.94 174.76 1wnu h ARG 133 N 8.45 0.16 -3.81 2.79 2.47 -0.96 -3.48 114.38 119.99 1wnu h ARG 133 Ca -0.22 -0.27 -0.14 0.00 -1.26 0.00 0.00 59.98 58.08 1wnu h ARG 133 Cb 1.07 0.10 -0.19 0.00 -1.65 0.00 0.00 29.97 29.30 1wnu h ARG 133 CO 1.01 1.13 -0.57 0.21 0.56 0.00 0.00 179.97 182.30 1wnu s LYS 134 N -2.45 0.50 -0.08 0.04 2.20 -1.11 -5.02 119.74 113.82 1wnu s LYS 134 Ca -0.23 -0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 54.68 1wnu s LYS 134 Cb 0.05 0.19 0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1wnu s LYS 134 CO 0.71 -0.11 0.04 0.08 -0.36 0.00 0.00 175.35 175.70 1wnu s VAL 135 N -2.13 0.14 -0.11 4.02 1.01 -1.26 0.05 120.40 122.12 1wnu s VAL 135 Ca -0.09 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1wnu s VAL 135 Cb -0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1wnu s VAL 135 CO -0.03 0.12 -0.19 -0.60 0.00 0.00 0.00 175.10 174.40 1wnu s ARG 136 N 2.06 3.17 -0.31 2.72 3.00 -0.36 -4.95 118.95 124.29 1wnu s ARG 136 Ca 0.04 -0.80 -0.05 0.00 -1.00 0.00 0.00 55.73 53.92 1wnu s ARG 136 Cb -0.13 -2.44 0.03 0.00 0.00 0.00 0.00 34.95 32.41 1wnu s ARG 136 CO -0.05 0.21 0.06 0.12 0.00 0.00 0.00 175.30 175.64 1wnu s PHE 137 N 0.32 3.21 -0.63 5.12 5.36 -1.26 0.72 117.98 130.82 1wnu s PHE 137 Ca -0.15 -1.42 -0.19 0.00 -0.96 0.00 0.00 56.93 54.21 1wnu s PHE 137 Cb -0.17 -2.22 0.10 0.00 -0.34 0.00 0.00 43.02 40.40 1wnu s PHE 137 CO 0.07 -0.71 0.77 1.03 -1.46 0.00 0.00 175.22 174.92 1wnu s ARG 138 N 1.39 3.10 0.20 10.12 0.52 -0.21 -4.95 118.95 129.12 1wnu s ARG 138 Ca -0.01 -1.31 -0.15 0.00 -0.52 0.00 0.00 55.73 53.74 1wnu s ARG 138 Cb -0.19 -4.30 0.21 0.00 0.52 0.00 0.00 34.95 31.19 1wnu s ARG 138 CO 0.01 -1.59 1.62 -0.22 0.02 0.00 0.00 175.30 175.14 1wnu h LYS 139 N 9.18 -0.05 0.01 3.54 3.64 -1.97 1.00 116.57 131.93 1wnu h LYS 139 Ca -0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1wnu h LYS 139 Cb 1.08 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1wnu h LYS 139 CO 1.10 -0.03 -0.14 1.03 -2.27 0.00 0.00 179.45 179.14 1wnu h SER 140 N -0.05 -0.43 1.13 4.20 0.87 -1.97 -2.73 113.55 114.57 1wnu h SER 140 Ca 0.29 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1wnu h SER 140 Cb 0.49 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1wnu h SER 140 CO -0.65 -0.14 0.00 0.29 -0.53 0.00 0.00 176.83 175.80 1wnu n LYS 141 N -3.26 0.23 -2.94 2.24 5.02 -1.20 -4.92 118.16 113.34 1wnu n LYS 141 Ca -0.02 0.32 -0.11 0.00 -2.02 0.00 0.00 58.31 56.47 1wnu n LYS 141 Cb 0.10 -1.84 0.05 0.00 -0.02 0.00 0.00 35.03 33.32 1wnu n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wnu n GLY 142 N 0.69 -0.02 3.37 0.72 0.00 0.33 -4.93 105.19 105.35 1wnu n GLY 142 Ca 0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1wnu n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wnu s LEU 143 N -4.67 2.25 -0.16 0.99 1.43 -1.10 -0.85 118.68 116.57 1wnu s LEU 143 Ca 0.10 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1wnu s LEU 143 Cb -0.04 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 1wnu s LEU 143 CO 0.44 0.22 -0.14 -0.22 0.23 0.00 0.00 176.35 176.88 1wnu s LEU 144 N -1.60 2.52 -0.27 1.79 2.96 0.21 -1.05 118.68 123.24 1wnu s LEU 144 Ca 0.13 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.45 1wnu s LEU 144 Cb -0.10 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1wnu s LEU 144 CO 0.04 0.07 0.26 -1.61 -1.32 0.00 0.00 176.35 173.78 1wnu s GLU 145 N 0.90 4.00 -0.43 1.98 2.02 0.22 -0.53 118.70 126.87 1wnu s GLU 145 Ca -0.03 -0.17 -0.03 0.00 0.02 0.00 0.00 54.97 54.76 1wnu s GLU 145 Cb -0.15 -3.64 0.12 0.00 0.10 0.00 0.00 34.13 30.56 1wnu s GLU 145 CO -0.01 -0.17 0.22 0.42 0.02 0.00 0.00 175.26 175.74 1wnu s ILE 146 N 1.75 3.28 -0.12 -1.63 -1.09 0.55 -1.22 121.20 122.72 1wnu s ILE 146 Ca 0.10 -2.17 -0.21 0.00 -2.23 0.00 0.00 60.65 56.14 1wnu s ILE 146 Cb -0.16 -3.24 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 1wnu s ILE 146 CO 0.10 -0.71 0.60 -1.00 -1.23 0.00 0.00 174.94 172.70 1wnu s HIS 147 N 1.00 3.50 0.06 3.97 3.76 0.11 -1.81 115.29 125.86 1wnu s HIS 147 Ca 0.09 1.04 -0.06 0.00 -0.15 0.00 0.00 55.06 55.97 1wnu s HIS 147 Cb -0.22 -2.72 -0.01 0.00 1.11 0.00 0.00 32.58 30.74 1wnu s HIS 147 CO -0.04 0.04 0.12 -0.59 -0.85 0.00 0.00 174.74 173.42 1wnu s PHE 148 N 1.06 0.21 -0.01 1.40 -0.71 -0.48 -0.25 117.98 119.21 1wnu s PHE 148 Ca 0.31 -0.58 0.01 0.00 -1.04 0.00 0.00 56.93 55.63 1wnu s PHE 148 Cb -0.16 -0.14 0.00 0.00 -1.21 0.00 0.00 43.02 41.51 1wnu s PHE 148 CO 0.13 -0.43 -0.02 -1.83 -1.34 0.00 0.00 175.22 171.73 1wnu s GLU 149 N -3.19 0.20 0.82 1.99 -1.05 0.10 -0.47 118.70 117.10 1wnu s GLU 149 Ca -0.00 -0.04 -0.11 0.00 -0.15 0.00 0.00 54.97 54.66 1wnu s GLU 149 Cb 0.02 -0.23 0.08 0.00 -0.44 0.00 0.00 34.13 33.56 1wnu s GLU 149 CO -0.07 0.01 1.09 -0.51 0.95 0.00 0.00 175.26 176.73 1wnu s LEU 150 N 0.17 2.56 -0.16 1.83 1.02 -0.32 -1.43 118.68 122.36 1wnu s LEU 150 Ca -0.01 1.44 0.02 0.00 0.02 0.00 0.00 54.13 55.59 1wnu s LEU 150 Cb -0.04 -4.01 0.02 0.00 0.02 0.00 0.00 46.19 42.18 1wnu s LEU 150 CO -0.00 -2.17 -0.20 -0.76 0.02 0.00 0.00 176.35 173.23 1wnu s LEU 151 N -5.93 2.06 -0.85 1.79 1.43 -0.86 -4.90 118.68 111.44 1wnu s LEU 151 Ca 0.62 -0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 1wnu s LEU 151 Cb -0.16 -1.42 -0.18 0.00 0.03 0.00 0.00 46.19 44.47 1wnu s LEU 151 CO 0.55 0.03 1.90 -0.62 0.23 0.00 0.00 176.35 178.45 1wnu n GLU 152 N 4.36 1.16 0.00 1.70 4.71 -1.26 -4.67 120.64 126.64 1wnu n GLU 152 Ca -0.20 -1.93 0.00 0.00 -0.01 0.00 0.00 57.16 55.01 1wnu n GLU 152 Cb 0.51 -3.27 0.00 0.00 -1.01 0.00 0.00 31.44 27.66 1wnu n GLU 152 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1wnu n LEU 153 N 11.69 0.00 0.00 -4.62 4.77 -1.26 -5.22 117.00 122.36 1wnu n LEU 153 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1wnu n LEU 153 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1wnu n LEU 153 CO 0.88 0.00 0.20 -0.62 -1.33 0.00 0.00 177.39 176.52