#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n LYS 2 N 0.00 0.60 -4.09 2.12 4.76 -1.26 -2.76 118.16 117.53 2wh4 n LYS 2 Ca 0.00 0.21 -0.11 0.00 -2.87 0.00 0.00 58.31 55.54 2wh4 n LYS 2 Cb 0.00 -1.39 -0.07 0.00 -1.84 0.00 0.00 35.03 31.73 2wh4 n LYS 2 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2wh4 s VAL 3 N -1.09 0.00 -0.10 -0.18 -7.23 0.14 -2.93 120.40 109.01 2wh4 s VAL 3 Ca 0.62 -1.66 -0.00 0.00 -1.81 0.00 0.00 61.98 59.12 2wh4 s VAL 3 Cb -0.80 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 33.80 2wh4 s VAL 3 CO 0.58 0.00 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.66 2wh4 s ILE 4 N -3.97 0.99 1.18 -0.62 1.01 0.24 -1.93 121.20 118.11 2wh4 s ILE 4 Ca 0.30 -0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 2wh4 s ILE 4 Cb 0.02 -1.01 0.28 0.00 0.01 0.00 0.00 42.46 41.77 2wh4 s ILE 4 CO 0.12 0.36 1.04 -0.76 0.00 0.00 0.00 174.94 175.69 2wh4 s LEU 5 N 1.59 0.59 0.00 2.97 1.43 -0.18 0.78 118.68 125.86 2wh4 s LEU 5 Ca 0.02 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2wh4 s LEU 5 Cb -0.13 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.09 2wh4 s LEU 5 CO -0.07 -4.16 0.00 0.18 0.23 0.00 0.00 176.35 172.53 2wh4 n LEU 6 N -4.85 0.00 0.00 1.79 4.77 -1.13 -2.49 117.00 115.09 2wh4 n LEU 6 Ca 0.07 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.88 2wh4 n LEU 6 Cb 0.57 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.61 2wh4 n LEU 6 CO 0.53 0.00 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.87 2wh4 n GLU 7 N 0.00 0.62 0.00 3.23 1.02 -1.24 -4.90 120.64 119.37 2wh4 n GLU 7 Ca 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.83 2wh4 n GLU 7 Cb 0.00 1.37 0.00 0.00 -0.02 0.00 0.00 31.44 32.79 2wh4 n GLU 7 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2wh4 n PRO 8 N -0.58 0.00 -0.02 3.49 -0.04 -1.25 -3.77 135.00 132.82 2wh4 n PRO 8 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2wh4 n PRO 8 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 2wh4 n PRO 8 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wh4 n LEU 9 N 0.00 -0.74 -4.37 1.53 4.77 -1.26 -3.81 117.00 113.12 2wh4 n LEU 9 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 2wh4 n LEU 9 Cb 0.00 0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 2wh4 n LEU 9 CO 0.00 0.00 -0.21 1.21 -1.33 0.00 0.00 177.39 177.06 2wh4 n GLU 10 N 1.73 0.07 -2.03 3.23 2.13 -1.26 0.13 120.64 124.63 2wh4 n GLU 10 Ca 0.00 0.06 -0.07 0.00 0.66 0.00 0.00 57.16 57.81 2wh4 n GLU 10 Cb 0.00 -1.67 -0.01 0.00 0.27 0.00 0.00 31.44 30.03 2wh4 n GLU 10 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2wh4 n ASN 11 N 0.10 -0.67 0.00 4.31 4.13 -1.26 -3.91 115.26 117.97 2wh4 n ASN 11 Ca 0.07 -0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.33 2wh4 n ASN 11 Cb 0.52 -0.63 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 2wh4 n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wh4 n LEU 12 N -1.66 0.00 0.00 3.41 -0.00 -1.23 -5.08 117.00 112.45 2wh4 n LEU 12 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.14 2wh4 n LEU 12 Cb 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.67 2wh4 n LEU 12 CO 0.15 0.00 0.03 0.61 -0.00 0.00 0.00 177.39 178.18 2wh4 n GLY 13 N 0.00 -1.10 3.53 1.47 0.00 0.12 -4.86 105.19 104.36 2wh4 n GLY 13 Ca 0.00 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 2wh4 n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wh4 n ASP 14 N -1.64 1.36 -1.77 1.61 8.00 -1.26 -3.86 116.55 118.99 2wh4 n ASP 14 Ca 0.03 -0.31 -0.17 0.00 0.71 0.00 0.00 54.79 55.05 2wh4 n ASP 14 Cb 0.37 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 2wh4 n ASP 14 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2wh4 n VAL 15 N 7.76 0.10 0.00 2.53 3.14 -1.25 -3.75 118.33 126.85 2wh4 n VAL 15 Ca 0.50 -0.21 0.00 0.00 -2.96 0.00 0.00 64.34 61.67 2wh4 n VAL 15 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 2wh4 n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wh4 n GLY 16 N 1.01 1.67 1.91 7.55 0.00 -1.04 -4.89 105.19 111.40 2wh4 n GLY 16 Ca 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2wh4 n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wh4 n GLN 17 N 12.70 0.00 -2.29 1.61 7.27 -1.25 -1.01 117.38 134.42 2wh4 n GLN 17 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 2wh4 n GLN 17 Cb 0.00 -0.49 -0.01 0.00 2.41 0.00 0.00 30.24 32.15 2wh4 n GLN 17 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2wh4 s VAL 18 N 0.00 3.73 -0.17 1.69 1.01 -1.26 -3.90 120.40 121.51 2wh4 s VAL 18 Ca 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 2wh4 s VAL 18 Cb 0.00 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 33.10 2wh4 s VAL 18 CO 0.00 -0.35 0.95 0.54 0.00 0.00 0.00 175.10 176.24 2wh4 s VAL 19 N -2.17 0.00 0.05 2.92 0.11 -0.81 -4.94 120.40 115.55 2wh4 s VAL 19 Ca 0.66 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.57 2wh4 s VAL 19 Cb -0.17 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.62 2wh4 s VAL 19 CO 0.28 0.00 0.44 1.51 -3.33 0.00 0.00 175.10 174.01 2wh4 s ASP 20 N -0.84 6.80 -0.01 3.54 3.84 -1.26 0.28 116.67 129.02 2wh4 s ASP 20 Ca -0.02 0.97 -0.06 0.00 -0.00 0.00 0.00 52.55 53.44 2wh4 s ASP 20 Cb -0.01 -2.25 0.00 0.00 -1.38 0.00 0.00 42.92 39.28 2wh4 s ASP 20 CO 0.01 0.25 0.13 0.68 -0.00 0.00 0.00 175.17 176.24 2wh4 s VAL 21 N -1.21 0.07 -0.36 2.11 -7.23 -1.11 -4.73 120.40 107.93 2wh4 s VAL 21 Ca 0.28 -0.56 -0.41 0.00 -1.81 0.00 0.00 61.98 59.48 2wh4 s VAL 21 Cb -0.16 -0.37 -0.16 0.00 0.56 0.00 0.00 36.38 36.24 2wh4 s VAL 21 CO 0.16 -0.31 1.85 0.29 -0.31 0.00 0.00 175.10 176.78 2wh4 n LYS 22 N 1.79 0.77 -0.35 4.82 5.02 -1.26 -2.33 118.16 126.62 2wh4 n LYS 22 Ca -0.21 0.26 -0.07 0.00 -2.02 0.00 0.00 58.31 56.28 2wh4 n LYS 22 Cb 0.56 -1.97 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2wh4 n LYS 22 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2wh4 n PRO 23 N 5.91 -0.32 -0.35 1.97 -0.02 -1.26 -0.26 135.00 140.67 2wh4 n PRO 23 Ca 0.34 1.29 0.36 0.00 -2.02 0.00 0.00 63.50 63.46 2wh4 n PRO 23 Cb 0.09 -1.90 0.73 0.00 -0.02 0.00 0.00 33.50 32.40 2wh4 n PRO 23 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wh4 h GLY 24 N 0.00 0.14 0.69 -1.23 0.00 -1.98 -0.17 103.07 100.52 2wh4 h GLY 24 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2wh4 h GLY 24 CO -0.81 -0.02 -0.26 -1.82 0.00 0.00 0.00 176.54 173.63 2wh4 h TYR 25 N 0.04 -0.68 0.13 5.60 -0.00 -0.97 -2.17 116.97 118.92 2wh4 h TYR 25 Ca 0.60 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 59.31 2wh4 h TYR 25 Cb 2.32 0.22 -0.00 0.00 -0.00 0.00 0.00 36.73 39.27 2wh4 h TYR 25 CO -0.00 -0.35 -0.10 0.00 -0.00 0.00 0.00 178.16 177.71 2wh4 h ALA 26 N -0.83 -0.89 -1.38 1.82 0.00 -1.04 0.34 119.26 117.28 2wh4 h ALA 26 Ca -0.07 -0.04 0.40 0.00 0.00 0.00 0.00 54.91 55.19 2wh4 h ALA 26 Cb 0.63 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2wh4 h ALA 26 CO 0.12 -0.89 1.00 0.00 0.00 0.00 0.00 179.25 179.48 2wh4 h ARG 27 N -0.22 0.00 0.00 0.00 3.08 -1.30 -1.52 114.38 114.42 2wh4 h ARG 27 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wh4 h ARG 27 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2wh4 h ARG 27 CO 0.00 0.00 -1.24 0.09 -1.07 0.00 0.00 179.97 177.75 2wh4 n ASN 28 N -4.09 1.81 0.00 7.04 3.02 -0.82 -4.65 115.26 117.57 2wh4 n ASN 28 Ca 0.30 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2wh4 n ASN 28 Cb 1.44 1.38 0.00 0.00 -0.61 0.00 0.00 39.78 41.99 2wh4 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh4 n TYR 29 N -1.72 0.00 -0.24 3.10 9.36 0.12 -4.75 117.16 123.03 2wh4 n TYR 29 Ca -0.01 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.25 2wh4 n TYR 29 Cb 0.27 0.00 0.10 0.00 -0.63 0.00 0.00 39.34 39.08 2wh4 n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wh4 n LEU 30 N -0.13 -0.23 0.18 2.98 4.77 -1.13 -1.55 117.00 121.91 2wh4 n LEU 30 Ca 0.00 1.13 -0.12 0.00 -0.03 0.00 0.00 56.01 56.99 2wh4 n LEU 30 Cb 0.00 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 2wh4 n LEU 30 CO 0.00 -1.09 0.42 -0.07 -1.33 0.00 0.00 177.39 175.32 2wh4 h LEU 31 N 0.00 -0.43 -0.82 2.23 4.07 -1.42 0.12 115.31 119.06 2wh4 h LEU 31 Ca 0.32 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 58.11 2wh4 h LEU 31 Cb 0.50 0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 2wh4 h LEU 31 CO -0.67 -0.01 0.36 -0.65 -1.08 0.00 0.00 178.44 176.38 2wh4 h PRO 32 N -0.95 1.20 -0.76 1.13 0.11 -1.69 -0.09 132.00 130.96 2wh4 h PRO 32 Ca -0.05 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2wh4 h PRO 32 Cb 0.54 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2wh4 h PRO 32 CO 0.09 0.95 0.00 0.54 -0.21 0.00 0.00 178.00 179.36 2wh4 n ARG 33 N -4.30 1.13 -0.16 1.05 1.74 -0.59 -4.84 116.66 110.69 2wh4 n ARG 33 Ca 0.08 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2wh4 n ARG 33 Cb 0.17 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 2wh4 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh4 n GLY 34 N 0.15 0.00 0.00 -0.13 0.00 -0.05 -4.70 105.19 100.46 2wh4 n GLY 34 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2wh4 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh4 n LEU 35 N 0.00 0.00 -3.62 0.99 4.77 0.35 -4.66 117.00 114.83 2wh4 n LEU 35 Ca 0.00 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 56.02 2wh4 n LEU 35 Cb 0.00 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2wh4 n LEU 35 CO 0.00 -0.06 1.13 0.00 -1.33 0.00 0.00 177.39 177.13 2wh4 s ALA 36 N -1.92 -2.19 0.10 -1.18 0.00 -0.74 -2.84 121.76 112.99 2wh4 s ALA 36 Ca 0.00 1.71 0.02 0.00 0.00 0.00 0.00 51.96 53.70 2wh4 s ALA 36 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2wh4 s ALA 36 CO 0.00 -0.62 -0.08 0.08 0.00 0.00 0.00 175.76 175.15 2wh4 s VAL 37 N -2.15 0.79 -0.02 0.00 1.01 0.23 -3.95 120.40 116.30 2wh4 s VAL 37 Ca 0.11 -1.86 -0.33 0.00 0.00 0.00 0.00 61.98 59.90 2wh4 s VAL 37 Cb -0.00 -1.60 -0.12 0.00 0.00 0.00 0.00 36.38 34.67 2wh4 s VAL 37 CO -0.03 -0.78 1.84 0.18 0.00 0.00 0.00 175.10 176.31 2wh4 n LEU 38 N 0.11 3.52 -1.70 3.92 4.32 -1.26 0.81 117.00 126.72 2wh4 n LEU 38 Ca -0.13 0.98 -0.02 0.00 -0.02 0.00 0.00 56.01 56.82 2wh4 n LEU 38 Cb 0.60 -1.41 -0.02 0.00 -1.62 0.00 0.00 43.42 40.97 2wh4 n LEU 38 CO 0.29 -0.04 0.89 0.00 -1.22 0.00 0.00 177.39 177.31 2wh4 n ALA 39 N 6.19 3.78 -0.74 -1.18 0.00 -1.15 -4.69 120.51 122.73 2wh4 n ALA 39 Ca 0.21 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 2wh4 n ALA 39 Cb 0.31 -1.42 0.20 0.00 0.00 0.00 0.00 19.45 18.54 2wh4 n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wh4 s THR 40 N 0.62 2.18 0.21 0.00 -4.23 -1.26 -4.63 115.64 108.53 2wh4 s THR 40 Ca 0.10 0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.57 2wh4 s THR 40 Cb 0.05 -2.19 0.17 0.00 1.34 0.00 0.00 72.50 71.86 2wh4 s THR 40 CO 0.00 -0.08 1.88 -0.33 -0.54 0.00 0.00 174.62 175.55 2wh4 h GLU 41 N -2.13 1.00 0.29 3.99 4.39 -1.97 0.24 114.58 120.39 2wh4 h GLU 41 Ca -0.52 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.12 2wh4 h GLU 41 Cb 1.30 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 2wh4 h GLU 41 CO 0.48 0.66 -0.40 1.03 -1.16 0.00 0.00 179.01 179.61 2wh4 h SER 42 N 1.03 -1.14 0.15 1.42 0.87 -1.95 -2.06 113.55 111.86 2wh4 h SER 42 Ca 0.29 0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.85 2wh4 h SER 42 Cb -0.09 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2wh4 h SER 42 CO -0.07 -0.52 -0.40 0.78 -0.53 0.00 0.00 176.83 176.08 2wh4 h ASN 43 N -0.75 0.35 0.34 6.23 2.35 -1.81 -2.62 115.58 119.67 2wh4 h ASN 43 Ca -0.01 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2wh4 h ASN 43 Cb 0.71 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2wh4 h ASN 43 CO -0.13 0.72 0.00 0.25 -1.65 0.00 0.00 177.43 176.62 2wh4 h LEU 44 N 0.28 0.00 -1.01 1.61 5.85 -0.25 -2.07 115.31 119.72 2wh4 h LEU 44 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wh4 h LEU 44 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2wh4 h LEU 44 CO 0.07 0.00 -0.38 0.29 -0.34 0.00 0.00 178.44 178.08 2wh4 n LYS 45 N -3.07 1.48 0.04 1.25 5.02 -0.80 -3.46 118.16 118.62 2wh4 n LYS 45 Ca -0.02 -0.98 -0.02 0.00 -2.02 0.00 0.00 58.31 55.28 2wh4 n LYS 45 Cb 0.15 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 33.69 2wh4 n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wh4 h ALA 46 N 3.41 0.66 0.06 7.82 0.00 -1.27 -3.34 119.26 126.60 2wh4 h ALA 46 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 53.88 2wh4 h ALA 46 Cb 0.67 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2wh4 h ALA 46 CO 0.00 1.02 -0.47 -0.07 0.00 0.00 0.00 179.25 179.73 2wh4 h LEU 47 N 0.00 0.31 -0.46 0.00 3.38 -1.65 -2.90 115.31 113.99 2wh4 h LEU 47 Ca -0.16 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.91 2wh4 h LEU 47 Cb 1.65 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2wh4 h LEU 47 CO 0.06 1.19 0.00 -0.62 0.09 0.00 0.00 178.44 179.16 2wh4 n GLU 48 N -4.33 0.29 -0.02 1.13 1.02 -1.22 -0.44 120.64 117.06 2wh4 n GLU 48 Ca -0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.98 2wh4 n GLU 48 Cb 0.65 -1.07 -0.02 0.00 -0.02 0.00 0.00 31.44 30.99 2wh4 n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh4 n ALA 49 N -0.10 2.04 -0.35 0.62 0.00 -1.17 -4.35 120.51 117.20 2wh4 n ALA 49 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 53.44 53.11 2wh4 n ALA 49 Cb 0.03 0.16 0.21 0.00 0.00 0.00 0.00 19.45 19.85 2wh4 n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 h ARG 50 N -0.46 0.95 -0.85 0.00 3.08 -1.01 0.11 114.38 116.20 2wh4 h ARG 50 Ca -0.02 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.09 2wh4 h ARG 50 Cb 0.51 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 2wh4 h ARG 50 CO -0.01 0.63 0.47 0.82 -1.07 0.00 0.00 179.97 180.81 2wh4 h ILE 51 N 0.98 0.82 0.51 2.04 2.04 -1.01 -2.43 117.51 120.46 2wh4 h ILE 51 Ca 0.46 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 2wh4 h ILE 51 Cb 0.40 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2wh4 h ILE 51 CO -0.24 0.13 -0.25 0.03 0.00 0.00 0.00 178.15 177.82 2wh4 h ARG 52 N 0.73 -0.66 0.00 2.37 3.08 -1.06 -2.97 114.38 115.87 2wh4 h ARG 52 Ca 0.44 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.54 2wh4 h ARG 52 Cb 0.52 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2wh4 h ARG 52 CO -0.31 -0.44 0.00 0.00 -1.07 0.00 0.00 179.97 178.15 2wh4 n ALA 53 N -2.53 0.00 -0.18 0.04 0.00 -0.22 0.43 120.51 118.05 2wh4 n ALA 53 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 2wh4 n ALA 53 Cb 0.27 0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 2wh4 n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wh4 h GLN 54 N 0.00 -0.24 -1.04 0.00 4.20 -1.57 0.29 115.11 116.74 2wh4 h GLN 54 Ca 0.00 0.02 0.27 0.00 0.06 0.00 0.00 58.65 59.00 2wh4 h GLN 54 Cb 0.00 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 27.76 2wh4 h GLN 54 CO 0.00 -0.16 0.69 0.00 -0.67 0.00 0.00 178.83 178.69 2wh4 h ALA 55 N -0.12 2.46 -0.17 3.87 0.00 -0.44 0.31 119.26 125.17 2wh4 h ALA 55 Ca 0.08 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2wh4 h ALA 55 Cb 0.46 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wh4 h ALA 55 CO -0.58 -0.82 -0.18 0.87 0.00 0.00 0.00 179.25 178.54 2wh4 h LYS 56 N 0.28 0.42 -0.30 0.00 1.57 0.34 -2.73 116.57 116.16 2wh4 h LYS 56 Ca 0.56 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 59.07 2wh4 h LYS 56 Cb 1.63 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 2wh4 h LYS 56 CO -0.20 0.80 0.05 0.00 -0.57 0.00 0.00 179.45 179.53 2wh4 h ARG 57 N 0.07 0.50 -0.85 3.15 3.08 0.11 -0.87 114.38 119.57 2wh4 h ARG 57 Ca 0.02 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2wh4 h ARG 57 Cb 0.73 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2wh4 h ARG 57 CO 0.04 0.60 0.00 1.28 -1.07 0.00 0.00 179.97 180.82 2wh4 n LEU 58 N -4.63 0.85 0.00 3.04 4.77 0.88 0.45 117.00 122.36 2wh4 n LEU 58 Ca -0.02 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2wh4 n LEU 58 Cb 0.21 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2wh4 n LEU 58 CO 0.38 0.21 -0.33 0.00 -1.33 0.00 0.00 177.39 176.32 2wh4 n ALA 59 N -0.00 1.33 -0.02 -1.18 0.00 -0.83 -4.43 120.51 115.37 2wh4 n ALA 59 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2wh4 n ALA 59 Cb 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.54 2wh4 n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wh4 n GLU 60 N -0.99 0.65 0.04 0.00 1.02 -0.39 -3.23 120.64 117.74 2wh4 n GLU 60 Ca 0.00 0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 57.21 2wh4 n GLU 60 Cb 0.00 -1.69 0.17 0.00 -0.02 0.00 0.00 31.44 29.90 2wh4 n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh4 h ARG 61 N 0.00 0.41 0.01 3.49 3.08 -0.25 -1.42 114.38 119.69 2wh4 h ARG 61 Ca -0.27 -0.19 -0.21 0.00 0.07 0.00 0.00 59.98 59.38 2wh4 h ARG 61 Cb 1.76 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 2wh4 h ARG 61 CO 0.04 0.74 -0.91 0.87 -1.07 0.00 0.00 179.97 179.63 2wh4 h LYS 62 N 0.34 0.26 0.00 0.04 1.57 -1.78 -3.09 116.57 113.91 2wh4 h LYS 62 Ca 0.03 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2wh4 h LYS 62 Cb 0.84 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2wh4 h LYS 62 CO 0.07 1.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.96 2wh4 n ALA 63 N -2.48 0.00 -0.27 3.86 0.00 -0.86 0.21 120.51 120.97 2wh4 n ALA 63 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 63 Cb 0.83 0.02 0.14 0.00 0.00 0.00 0.00 19.45 20.44 2wh4 n ALA 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2wh4 h GLU 64 N 0.00 0.05 -0.25 0.00 5.08 -1.47 -0.36 114.58 117.64 2wh4 h GLU 64 Ca 0.00 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2wh4 h GLU 64 Cb 0.00 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2wh4 h GLU 64 CO 0.00 0.03 -0.09 0.00 -1.00 0.00 0.00 179.01 177.96 2wh4 h ALA 65 N 1.76 0.13 0.00 3.43 0.00 -1.59 -1.37 119.26 121.62 2wh4 h ALA 65 Ca 0.41 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2wh4 h ALA 65 Cb 0.71 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2wh4 h ALA 65 CO -0.74 -0.49 0.00 -1.91 0.00 0.00 0.00 179.25 176.11 2wh4 n GLU 66 N -5.25 0.33 0.11 0.00 2.13 0.13 -0.73 120.64 117.36 2wh4 n GLU 66 Ca -0.01 0.07 0.01 0.00 0.66 0.00 0.00 57.16 57.88 2wh4 n GLU 66 Cb 0.17 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.37 2wh4 n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wh4 h ARG 67 N 0.00 0.00 -0.01 5.31 2.47 -0.92 -3.05 114.38 118.19 2wh4 h ARG 67 Ca 0.00 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.51 2wh4 h ARG 67 Cb 0.05 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2wh4 h ARG 67 CO 0.00 0.54 -0.90 -0.07 0.56 0.00 0.00 179.97 180.10 2wh4 h LEU 68 N 0.00 0.43 -1.36 3.04 3.38 -0.96 0.23 115.31 120.07 2wh4 h LEU 68 Ca -0.03 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2wh4 h LEU 68 Cb 1.47 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 2wh4 h LEU 68 CO 0.07 1.14 0.29 0.11 0.09 0.00 0.00 178.44 180.14 2wh4 h LYS 69 N 0.19 0.72 0.00 1.13 1.57 -1.49 0.59 116.57 119.28 2wh4 h LYS 69 Ca -0.06 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 2wh4 h LYS 69 Cb 1.53 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.69 2wh4 h LYS 69 CO 0.15 0.54 -0.24 0.93 -0.57 0.00 0.00 179.45 180.26 2wh4 h GLU 70 N 0.73 0.16 0.68 3.15 5.08 -1.39 -3.35 114.58 119.64 2wh4 h GLU 70 Ca 0.19 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2wh4 h GLU 70 Cb 0.02 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2wh4 h GLU 70 CO -0.03 0.93 -0.33 0.82 -1.00 0.00 0.00 179.01 179.40 2wh4 h ILE 71 N -0.54 0.00 0.00 3.13 2.04 -0.14 -3.22 117.51 118.79 2wh4 h ILE 71 Ca -0.03 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2wh4 h ILE 71 Cb 1.01 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2wh4 h ILE 71 CO 0.05 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.38 2wh4 n LEU 72 N -4.89 1.32 -0.33 1.44 4.77 0.20 -1.43 117.00 118.07 2wh4 n LEU 72 Ca -0.11 -0.61 0.04 0.00 -0.03 0.00 0.00 56.01 55.30 2wh4 n LEU 72 Cb 0.36 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2wh4 n LEU 72 CO 0.27 0.24 0.42 -0.62 -1.33 0.00 0.00 177.39 176.37 2wh4 n GLU 73 N 1.51 0.72 -2.31 3.23 -0.58 -1.22 -4.34 120.64 117.66 2wh4 n GLU 73 Ca 0.00 -1.17 -0.40 0.00 -0.42 0.00 0.00 57.16 55.18 2wh4 n GLU 73 Cb 0.14 -1.15 0.03 0.00 -0.57 0.00 0.00 31.44 29.89 2wh4 n GLU 73 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2wh4 n ASN 74 N 0.36 7.27 -2.88 1.62 3.02 -0.52 -4.89 115.26 119.24 2wh4 n ASN 74 Ca 0.05 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.84 2wh4 n ASN 74 Cb 0.23 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 2wh4 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh4 n LEU 75 N -0.30 0.00 -3.59 3.41 -0.00 -1.26 -4.64 117.00 110.61 2wh4 n LEU 75 Ca 0.49 -0.85 -0.31 0.00 -0.00 0.00 0.00 56.01 55.34 2wh4 n LEU 75 Cb 0.26 -0.35 -0.06 0.00 -0.00 0.00 0.00 43.42 43.27 2wh4 n LEU 75 CO 0.50 -1.03 0.34 0.41 -0.00 0.00 0.00 177.39 177.62 2wh4 n THR 76 N 4.40 3.11 -4.23 1.47 -1.04 -1.26 -4.70 114.28 112.02 2wh4 n THR 76 Ca 0.00 -5.40 -0.33 0.00 -2.04 0.00 0.00 64.05 56.28 2wh4 n THR 76 Cb 0.00 -2.10 -0.16 0.00 -1.82 0.00 0.00 70.33 66.25 2wh4 n THR 76 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2wh4 s LEU 77 N -2.52 2.29 -0.09 -4.42 0.05 -1.26 -4.97 118.68 107.75 2wh4 s LEU 77 Ca 0.37 -0.58 0.02 0.00 0.05 0.00 0.00 54.13 54.00 2wh4 s LEU 77 Cb 0.12 -1.53 0.01 0.00 -2.05 0.00 0.00 46.19 42.74 2wh4 s LEU 77 CO 0.01 0.02 -0.16 0.42 -0.55 0.00 0.00 176.35 176.09 2wh4 s THR 78 N 1.18 1.53 -0.14 5.48 -4.23 -1.26 -3.15 115.64 115.06 2wh4 s THR 78 Ca 0.02 -0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 2wh4 s THR 78 Cb -0.14 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 2wh4 s THR 78 CO -0.08 0.44 0.03 -0.63 -0.54 0.00 0.00 174.62 173.84 2wh4 s ILE 79 N 0.75 4.51 0.09 2.99 -1.09 -1.24 -5.04 121.20 122.17 2wh4 s ILE 79 Ca -0.12 -0.15 -0.27 0.00 -2.23 0.00 0.00 60.65 57.88 2wh4 s ILE 79 Cb -0.16 -2.97 -0.15 0.00 -1.58 0.00 0.00 42.46 37.61 2wh4 s ILE 79 CO 0.02 0.53 0.62 -0.81 -1.23 0.00 0.00 174.94 174.07 2wh4 n PRO 80 N 2.91 0.00 0.00 2.79 -0.04 -1.26 -3.68 135.00 135.72 2wh4 n PRO 80 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2wh4 n PRO 80 Cb 0.53 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 2wh4 n PRO 80 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2wh4 n VAL 81 N 0.54 0.00 -3.28 0.52 3.14 -1.21 -4.73 118.33 113.32 2wh4 n VAL 81 Ca 0.15 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.38 2wh4 n VAL 81 Cb 0.14 -0.35 0.07 0.00 -1.06 0.00 0.00 33.84 32.65 2wh4 n VAL 81 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2wh4 n ARG 82 N 0.00 -3.19 -1.33 1.45 3.00 -1.26 -4.35 116.66 110.98 2wh4 n ARG 82 Ca 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 57.85 58.71 2wh4 n ARG 82 Cb 0.00 -5.83 0.00 0.00 0.00 0.00 0.00 32.46 26.63 2wh4 n ARG 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wh4 n ALA 83 N -3.42 0.00 -2.05 5.13 0.00 -1.26 -4.28 120.51 114.63 2wh4 n ALA 83 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wh4 n ALA 83 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2wh4 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 84 N 0.00 0.64 0.10 0.00 0.00 -1.20 -4.94 105.19 99.80 2wh4 n GLY 84 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2wh4 n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wh4 n GLU 85 N 0.00 0.68 0.01 1.61 1.02 -1.26 -4.93 120.64 117.77 2wh4 n GLU 85 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2wh4 n GLU 85 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 2wh4 n GLU 85 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2wh4 n THR 86 N -2.90 0.00 -1.52 2.62 -1.04 -1.26 -4.94 114.28 105.24 2wh4 n THR 86 Ca -0.33 0.00 -0.49 0.00 -2.04 0.00 0.00 64.05 61.19 2wh4 n THR 86 Cb 1.11 -0.03 -0.06 0.00 -1.82 0.00 0.00 70.33 69.54 2wh4 n THR 86 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2wh4 n LYS 87 N -2.56 1.44 -2.40 -2.82 5.02 -1.26 -1.71 118.16 113.86 2wh4 n LYS 87 Ca 0.00 0.43 -0.42 0.00 -2.02 0.00 0.00 58.31 56.30 2wh4 n LYS 87 Cb 0.00 -2.64 -0.02 0.00 -0.02 0.00 0.00 35.03 32.34 2wh4 n LYS 87 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wh4 s ILE 88 N 6.90 3.85 0.50 -0.18 -1.09 -1.26 -3.21 121.20 126.71 2wh4 s ILE 88 Ca 1.05 0.77 0.46 0.00 -2.23 0.00 0.00 60.65 60.69 2wh4 s ILE 88 Cb -0.73 -4.41 0.67 0.00 -1.58 0.00 0.00 42.46 36.42 2wh4 s ILE 88 CO 0.47 -1.08 1.41 -1.22 -1.23 0.00 0.00 174.94 173.30 2wh4 n TYR 89 N 9.27 0.00 0.00 3.97 4.02 -1.26 -4.13 117.16 129.03 2wh4 n TYR 89 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2wh4 n TYR 89 Cb 0.49 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2wh4 n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh4 n GLY 90 N -1.84 0.91 3.61 2.72 0.00 -1.26 -5.14 105.19 104.20 2wh4 n GLY 90 Ca 0.40 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 2wh4 n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wh4 s SER 91 N -0.79 -0.20 -0.03 1.61 0.15 -1.26 -4.77 113.70 108.42 2wh4 s SER 91 Ca 0.00 -0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.57 2wh4 s SER 91 Cb 0.00 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.61 2wh4 s SER 91 CO 0.00 -0.53 -0.17 -0.69 1.20 0.00 0.00 173.24 173.05 2wh4 s VAL 92 N -2.85 1.37 0.15 4.45 1.01 0.15 -5.00 120.40 119.69 2wh4 s VAL 92 Ca 0.10 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2wh4 s VAL 92 Cb 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 2wh4 s VAL 92 CO -0.04 0.39 0.18 0.35 0.00 0.00 0.00 175.10 175.98 2wh4 n THR 93 N 2.90 0.00 -0.25 3.92 -2.24 -1.26 -1.64 114.28 115.71 2wh4 n THR 93 Ca -0.16 -0.90 -0.07 0.00 -2.27 0.00 0.00 64.05 60.65 2wh4 n THR 93 Cb 0.54 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 2wh4 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wh4 n ALA 94 N -1.98 -0.38 -0.01 6.98 0.00 -1.26 -0.97 120.51 122.89 2wh4 n ALA 94 Ca -0.06 0.51 -0.01 0.00 0.00 0.00 0.00 53.44 53.88 2wh4 n ALA 94 Cb 0.26 0.10 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 2wh4 n ALA 94 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wh4 h LYS 95 N 0.00 -0.01 0.00 0.00 1.57 -1.97 0.12 116.57 116.27 2wh4 h LYS 95 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2wh4 h LYS 95 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2wh4 h LYS 95 CO -0.56 -0.01 0.00 -0.25 -0.57 0.00 0.00 179.45 178.06 2wh4 n ASP 96 N -2.92 0.00 0.00 0.86 8.00 -0.89 0.89 116.55 122.48 2wh4 n ASP 96 Ca -0.00 0.80 0.00 0.00 0.71 0.00 0.00 54.79 56.30 2wh4 n ASP 96 Cb 0.02 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2wh4 n ASP 96 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2wh4 n ILE 97 N -2.14 0.00 -0.18 0.53 2.08 -0.14 0.37 119.36 119.87 2wh4 n ILE 97 Ca 0.00 0.81 0.01 0.00 0.56 0.00 0.00 62.75 64.13 2wh4 n ILE 97 Cb 0.00 -1.29 0.04 0.00 -0.75 0.00 0.00 39.64 37.64 2wh4 n ILE 97 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wh4 n ALA 98 N -1.54 0.01 -0.05 -1.39 0.00 0.40 -0.54 120.51 117.41 2wh4 n ALA 98 Ca 0.00 0.51 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 2wh4 n ALA 98 Cb 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 2wh4 n ALA 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wh4 h GLU 99 N 0.00 -0.01 -0.79 0.00 4.81 0.17 -3.08 114.58 115.67 2wh4 h GLU 99 Ca 0.20 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.56 2wh4 h GLU 99 Cb 0.32 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.57 2wh4 h GLU 99 CO -0.50 0.79 -0.36 0.00 -0.73 0.00 0.00 179.01 178.22 2wh4 h ALA 100 N 0.02 0.08 -0.02 2.92 0.00 0.91 0.45 119.26 123.62 2wh4 h ALA 100 Ca -0.00 0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2wh4 h ALA 100 Cb 0.81 0.89 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2wh4 h ALA 100 CO 0.00 -0.64 -0.31 1.37 0.00 0.00 0.00 179.25 179.68 2wh4 h LEU 101 N -0.08 0.03 -1.70 0.00 8.10 -1.34 -2.16 115.31 118.15 2wh4 h LEU 101 Ca 0.29 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.27 2wh4 h LEU 101 Cb 0.58 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.79 2wh4 h LEU 101 CO -0.83 0.34 0.00 -0.24 -4.11 0.00 0.00 178.44 173.59 2wh4 n SER 102 N -4.17 1.78 0.00 0.17 2.88 0.16 -1.87 113.62 112.57 2wh4 n SER 102 Ca -0.02 -1.48 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 2wh4 n SER 102 Cb 0.36 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2wh4 n SER 102 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wh4 n ARG 103 N 0.48 0.00 0.00 -1.46 1.74 -0.82 -4.60 116.66 112.00 2wh4 n ARG 103 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wh4 n ARG 103 Cb 0.32 -0.55 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 2wh4 n ARG 103 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wh4 n GLN 104 N -2.10 0.00 0.00 5.56 6.02 -0.78 -4.67 117.38 121.40 2wh4 n GLN 104 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 2wh4 n GLN 104 Cb 0.19 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.22 2wh4 n GLN 104 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2wh4 n HIS 105 N -1.81 0.00 0.00 1.08 8.25 -0.81 -5.03 115.22 116.90 2wh4 n HIS 105 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wh4 n HIS 105 Cb 0.00 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.75 2wh4 n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh4 n GLY 106 N 2.09 0.51 3.58 -1.41 0.00 -1.20 -5.03 105.19 103.73 2wh4 n GLY 106 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2wh4 n GLY 106 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wh4 n ILE 107 N 0.00 0.20 -3.57 -0.61 0.13 -1.26 -4.84 119.36 109.41 2wh4 n ILE 107 Ca 0.00 -0.55 -0.37 0.00 -1.10 0.00 0.00 62.75 60.73 2wh4 n ILE 107 Cb 0.00 -2.57 -0.07 0.00 -0.84 0.00 0.00 39.64 36.16 2wh4 n ILE 107 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 2wh4 s THR 108 N 9.45 5.29 0.30 9.51 -1.32 -1.26 -4.16 115.64 133.46 2wh4 s THR 108 Ca 1.01 0.55 0.04 0.00 -1.21 0.00 0.00 61.69 62.08 2wh4 s THR 108 Cb -0.33 -3.62 -0.03 0.00 -1.51 0.00 0.00 72.50 67.01 2wh4 s THR 108 CO 0.33 0.44 0.21 0.27 -2.21 0.00 0.00 174.62 173.66 2wh4 s ILE 109 N 0.10 0.14 -0.24 5.08 -0.00 -1.26 -5.13 121.20 119.89 2wh4 s ILE 109 Ca 0.17 -2.00 -0.18 0.00 -0.00 0.00 0.00 60.65 58.64 2wh4 s ILE 109 Cb -0.13 -2.49 -0.03 0.00 -0.00 0.00 0.00 42.46 39.81 2wh4 s ILE 109 CO 0.05 0.00 0.50 -0.62 -0.00 0.00 0.00 174.94 174.88 2wh4 s ASP 110 N -3.35 6.47 0.04 4.36 2.15 -1.26 -4.92 116.67 120.16 2wh4 s ASP 110 Ca 0.38 0.57 -0.16 0.00 0.43 0.00 0.00 52.55 53.77 2wh4 s ASP 110 Cb 0.04 -2.28 -0.07 0.00 -0.30 0.00 0.00 42.92 40.31 2wh4 s ASP 110 CO 0.21 -0.23 1.25 1.55 -0.17 0.00 0.00 175.17 177.77 2wh4 h PRO 111 N 7.78 -0.41 -0.21 4.34 0.13 -1.97 -1.89 132.00 139.78 2wh4 h PRO 111 Ca -0.31 0.03 0.06 0.00 -0.87 0.00 0.00 66.00 64.91 2wh4 h PRO 111 Cb 1.15 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2wh4 h PRO 111 CO 0.72 -0.27 0.85 1.63 -0.23 0.00 0.00 178.00 180.70 2wh4 n LYS 112 N -3.74 0.02 -1.58 0.86 5.02 -1.26 -0.45 118.16 117.02 2wh4 n LYS 112 Ca -0.05 0.78 -0.31 0.00 -2.02 0.00 0.00 58.31 56.71 2wh4 n LYS 112 Cb 0.20 -2.07 -0.00 0.00 -0.02 0.00 0.00 35.03 33.14 2wh4 n LYS 112 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wh4 n ARG 113 N -2.30 2.50 -3.28 1.97 5.12 -0.71 -4.79 116.66 115.17 2wh4 n ARG 113 Ca 0.05 -2.78 -0.20 0.00 -1.93 0.00 0.00 57.85 52.99 2wh4 n ARG 113 Cb 0.91 -2.16 -0.08 0.00 -1.16 0.00 0.00 32.46 29.98 2wh4 n ARG 113 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2wh4 s LEU 114 N -2.96 0.40 -0.10 0.55 0.20 0.40 -3.26 118.68 113.91 2wh4 s LEU 114 Ca 0.55 -2.28 -0.01 0.00 0.69 0.00 0.00 54.13 53.08 2wh4 s LEU 114 Cb 0.40 0.29 -0.03 0.00 -0.43 0.00 0.00 46.19 46.41 2wh4 s LEU 114 CO -0.26 -0.19 0.32 0.00 -0.29 0.00 0.00 176.35 175.92 2wh4 n ALA 115 N 3.43 0.16 0.00 5.97 0.00 -0.88 -4.69 120.51 124.50 2wh4 n ALA 115 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2wh4 n ALA 115 Cb 0.47 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2wh4 n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wh4 n LEU 116 N 1.01 0.00 -0.00 0.00 7.94 -1.26 -4.58 117.00 120.11 2wh4 n LEU 116 Ca 0.07 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.00 2wh4 n LEU 116 Cb 0.07 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.97 2wh4 n LEU 116 CO 0.16 0.00 -0.34 -1.84 -1.11 0.00 0.00 177.39 174.26 2wh4 n GLU 117 N 0.00 2.17 -2.90 1.96 0.28 -1.26 -4.84 120.64 116.05 2wh4 n GLU 117 Ca 0.00 -0.03 -0.43 0.00 -0.16 0.00 0.00 57.16 56.53 2wh4 n GLU 117 Cb 0.00 -1.01 -0.04 0.00 1.43 0.00 0.00 31.44 31.83 2wh4 n GLU 117 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2wh4 s LYS 118 N -2.09 3.21 -0.22 3.44 2.20 -1.26 -4.98 119.74 120.03 2wh4 s LYS 118 Ca -0.00 -1.10 -0.43 0.00 -0.36 0.00 0.00 55.97 54.08 2wh4 s LYS 118 Cb 0.04 -4.39 -0.20 0.00 -1.51 0.00 0.00 37.83 31.78 2wh4 s LYS 118 CO 0.27 -1.77 1.31 -2.30 -0.36 0.00 0.00 175.35 172.49 2wh4 n PRO 119 N 7.29 0.03 -2.34 4.03 -0.02 -1.26 -4.82 135.00 137.91 2wh4 n PRO 119 Ca 0.01 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.08 2wh4 n PRO 119 Cb 0.46 -1.51 -0.02 0.00 -0.02 0.00 0.00 33.50 32.40 2wh4 n PRO 119 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2wh4 s ILE 120 N 1.34 4.08 -0.52 4.25 2.07 -0.65 -4.89 121.20 126.88 2wh4 s ILE 120 Ca 0.97 1.26 0.04 0.00 -1.41 0.00 0.00 60.65 61.51 2wh4 s ILE 120 Cb -1.36 -3.96 0.17 0.00 0.13 0.00 0.00 42.46 37.43 2wh4 s ILE 120 CO 0.68 -0.28 0.39 -0.75 -1.91 0.00 0.00 174.94 173.07 2wh4 s LYS 121 N 3.97 1.50 0.00 3.50 2.20 -1.26 0.34 119.74 129.99 2wh4 s LYS 121 Ca 0.59 -2.55 0.00 0.00 -0.36 0.00 0.00 55.97 53.66 2wh4 s LYS 121 Cb -0.21 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 2wh4 s LYS 121 CO 0.21 -1.33 0.00 -1.91 -0.36 0.00 0.00 175.35 171.96 2wh4 n GLU 122 N 2.59 0.00 -4.20 4.03 2.13 -1.26 -4.35 120.64 119.57 2wh4 n GLU 122 Ca 0.24 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.90 2wh4 n GLU 122 Cb 0.42 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.02 2wh4 n GLU 122 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2wh4 s LEU 123 N 0.00 2.38 0.00 4.31 0.20 -0.69 -4.11 118.68 120.76 2wh4 s LEU 123 Ca 0.00 -0.77 0.00 0.00 0.69 0.00 0.00 54.13 54.05 2wh4 s LEU 123 Cb 0.00 -0.45 0.00 0.00 -0.43 0.00 0.00 46.19 45.31 2wh4 s LEU 123 CO 0.00 -0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.50 2wh4 n GLY 124 N 0.71 0.67 3.16 7.98 0.00 -0.68 -5.01 105.19 112.01 2wh4 n GLY 124 Ca -0.17 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 2wh4 n GLY 124 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wh4 s GLU 125 N -0.96 2.65 -0.05 1.61 -1.05 -1.26 0.03 118.70 119.66 2wh4 s GLU 125 Ca 0.00 -0.74 0.04 0.00 -0.15 0.00 0.00 54.97 54.13 2wh4 s GLU 125 Cb 0.00 -2.05 -0.00 0.00 -0.44 0.00 0.00 34.13 31.63 2wh4 s GLU 125 CO 0.00 0.11 -0.19 0.71 0.95 0.00 0.00 175.26 176.84 2wh4 s TYR 126 N 0.50 1.93 -0.55 4.83 1.51 0.66 -4.91 117.35 121.32 2wh4 s TYR 126 Ca -0.16 -0.60 -0.21 0.00 -1.01 0.00 0.00 57.07 55.08 2wh4 s TYR 126 Cb -0.17 -1.30 0.06 0.00 -0.11 0.00 0.00 41.96 40.44 2wh4 s TYR 126 CO 0.06 -0.21 0.77 0.08 -1.11 0.00 0.00 175.55 175.14 2wh4 s VAL 127 N 0.09 4.66 0.01 0.71 1.01 -1.26 0.48 120.40 126.09 2wh4 s VAL 127 Ca -0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 2wh4 s VAL 127 Cb -0.13 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.81 2wh4 s VAL 127 CO 0.03 -1.01 0.01 0.18 0.00 0.00 0.00 175.10 174.32 2wh4 n LEU 128 N 6.76 0.00 -3.39 3.92 4.77 0.15 -4.90 117.00 124.32 2wh4 n LEU 128 Ca -0.04 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.75 2wh4 n LEU 128 Cb 0.46 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 2wh4 n LEU 128 CO 0.59 -0.57 -0.18 -0.89 -1.33 0.00 0.00 177.39 175.01 2wh4 s THR 129 N -1.03 -0.34 -0.16 -5.08 2.01 -1.26 -3.58 115.64 106.20 2wh4 s THR 129 Ca 0.01 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 2wh4 s THR 129 Cb -0.00 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 2wh4 s THR 129 CO 0.01 -0.55 0.30 -0.47 -0.69 0.00 0.00 174.62 173.22 2wh4 s TYR 130 N 1.88 3.45 -0.66 4.92 5.04 -1.02 -2.08 117.35 128.88 2wh4 s TYR 130 Ca 0.13 0.60 -0.10 0.00 -2.44 0.00 0.00 57.07 55.25 2wh4 s TYR 130 Cb -0.15 -2.36 0.17 0.00 0.35 0.00 0.00 41.96 39.97 2wh4 s TYR 130 CO -0.18 0.22 0.56 0.15 -1.34 0.00 0.00 175.55 174.95 2wh4 s LYS 131 N 0.54 3.02 -0.04 4.97 1.02 -1.20 -0.78 119.74 127.27 2wh4 s LYS 131 Ca 0.17 -2.23 -0.23 0.00 0.02 0.00 0.00 55.97 53.70 2wh4 s LYS 131 Cb -0.13 -4.13 -0.17 0.00 -0.52 0.00 0.00 37.83 32.89 2wh4 s LYS 131 CO 0.04 -1.25 0.99 -1.35 -0.92 0.00 0.00 175.35 172.87 2wh4 h PRO 132 N 7.88 -0.22 -4.20 -1.68 0.11 -1.82 -3.45 132.00 128.62 2wh4 h PRO 132 Ca -0.05 0.02 -0.38 0.00 0.11 0.00 0.00 66.00 65.69 2wh4 h PRO 132 Cb 1.03 0.05 -0.32 0.00 0.11 0.00 0.00 31.00 31.88 2wh4 h PRO 132 CO 0.80 0.20 -0.77 -1.58 -0.21 0.00 0.00 178.00 176.45 2wh4 s HIS 133 N -3.76 0.68 0.29 0.65 5.65 -1.26 -5.06 115.29 112.47 2wh4 s HIS 133 Ca -0.13 -0.16 0.24 0.00 0.25 0.00 0.00 55.06 55.25 2wh4 s HIS 133 Cb 0.01 -0.55 0.81 0.00 -1.18 0.00 0.00 32.58 31.67 2wh4 s HIS 133 CO 0.52 -0.12 0.77 -2.30 -0.65 0.00 0.00 174.74 172.96 2wh4 n PRO 134 N 3.59 0.00 0.00 2.88 -0.02 -1.26 -1.28 135.00 138.91 2wh4 n PRO 134 Ca -0.21 0.55 0.05 0.00 -2.02 0.00 0.00 63.50 61.87 2wh4 n PRO 134 Cb 0.53 -1.28 -0.00 0.00 -0.02 0.00 0.00 33.50 32.73 2wh4 n PRO 134 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wh4 n GLU 135 N -2.86 2.12 -3.43 -0.52 0.28 -1.26 -4.91 120.64 110.07 2wh4 n GLU 135 Ca 0.21 -0.59 -0.20 0.00 -0.16 0.00 0.00 57.16 56.42 2wh4 n GLU 135 Cb 0.99 -1.09 -0.11 0.00 1.43 0.00 0.00 31.44 32.66 2wh4 n GLU 135 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wh4 s VAL 136 N -1.41 -0.32 0.94 3.84 1.01 -0.40 -5.15 120.40 118.91 2wh4 s VAL 136 Ca 0.08 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 2wh4 s VAL 136 Cb 0.08 -0.97 0.16 0.00 0.00 0.00 0.00 36.38 35.65 2wh4 s VAL 136 CO 0.27 -0.54 1.14 -2.84 0.00 0.00 0.00 175.10 173.12 2wh4 s PRO 137 N 2.20 0.89 0.19 2.72 0.02 -1.26 -4.25 135.00 135.52 2wh4 s PRO 137 Ca 0.10 0.28 0.10 0.00 0.02 0.00 0.00 61.00 61.50 2wh4 s PRO 137 Cb -0.15 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 2wh4 s PRO 137 CO -0.30 -2.36 -0.21 0.42 -0.33 0.00 0.00 177.00 174.21 2wh4 s ILE 138 N -3.24 2.12 -0.71 2.83 1.01 0.04 -4.98 121.20 118.27 2wh4 s ILE 138 Ca 0.65 -2.04 0.05 0.00 0.00 0.00 0.00 60.65 59.31 2wh4 s ILE 138 Cb -0.15 -2.03 0.18 0.00 0.01 0.00 0.00 42.46 40.47 2wh4 s ILE 138 CO 0.54 -0.25 0.53 0.00 0.00 0.00 0.00 174.94 175.76 2wh4 n GLN 139 N 0.14 1.93 -2.37 2.79 3.00 -1.26 -2.44 117.38 119.16 2wh4 n GLN 139 Ca -0.12 -4.51 -0.43 0.00 -0.01 0.00 0.00 57.00 51.93 2wh4 n GLN 139 Cb 0.57 -2.29 -0.02 0.00 0.00 0.00 0.00 30.24 28.49 2wh4 n GLN 139 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2wh4 s LEU 140 N -1.55 3.90 -0.13 1.08 2.96 -1.23 -4.80 118.68 118.90 2wh4 s LEU 140 Ca 0.26 1.30 -0.29 0.00 -0.22 0.00 0.00 54.13 55.17 2wh4 s LEU 140 Cb -0.03 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.11 2wh4 s LEU 140 CO -0.16 -1.09 1.09 -0.54 -1.32 0.00 0.00 176.35 174.32 2wh4 s LYS 141 N 4.22 4.34 -0.22 1.98 1.02 -1.26 0.34 119.74 130.16 2wh4 s LYS 141 Ca 0.59 1.48 0.01 0.00 0.02 0.00 0.00 55.97 58.07 2wh4 s LYS 141 Cb -0.18 -3.60 0.05 0.00 -0.52 0.00 0.00 37.83 33.58 2wh4 s LYS 141 CO 0.24 -0.47 -0.10 0.08 -0.92 0.00 0.00 175.35 174.17 2wh4 s VAL 142 N 2.54 1.80 -0.04 3.17 1.01 0.18 -4.44 120.40 124.62 2wh4 s VAL 142 Ca 0.50 -1.22 0.07 0.00 0.00 0.00 0.00 61.98 61.32 2wh4 s VAL 142 Cb -0.19 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2wh4 s VAL 142 CO 0.15 0.09 -0.25 -0.55 0.00 0.00 0.00 175.10 174.55 2wh4 s SER 143 N 1.30 3.14 -0.01 3.32 0.15 -1.19 0.24 113.70 120.66 2wh4 s SER 143 Ca -0.04 -0.47 -0.02 0.00 0.70 0.00 0.00 55.95 56.13 2wh4 s SER 143 Cb -0.18 -0.59 -0.00 0.00 -1.71 0.00 0.00 66.02 63.54 2wh4 s SER 143 CO -0.07 0.29 0.04 -0.69 1.20 0.00 0.00 173.24 174.01 2wh4 s VAL 144 N -0.43 0.03 0.15 4.45 1.01 0.10 -3.60 120.40 122.13 2wh4 s VAL 144 Ca 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2wh4 s VAL 144 Cb -0.12 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2wh4 s VAL 144 CO 0.01 -0.16 0.12 0.52 0.00 0.00 0.00 175.10 175.59 2wh4 n VAL 145 N 2.54 0.00 0.00 2.92 0.31 -1.24 -1.69 118.33 121.17 2wh4 n VAL 145 Ca -0.16 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 2wh4 n VAL 145 Cb 0.58 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 2wh4 n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51