#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh3 s ARG 12 N 0.00 0.88 -0.06 1.97 3.52 -1.26 -5.16 118.95 118.83 2wh3 s ARG 12 Ca 0.00 -1.16 -0.14 0.00 -0.13 0.00 0.00 55.73 54.30 2wh3 s ARG 12 Cb 0.00 -0.62 0.03 0.00 -1.56 0.00 0.00 34.95 32.80 2wh3 s ARG 12 CO 0.00 0.10 0.32 -0.65 -0.81 0.00 0.00 175.30 174.27 2wh3 s GLN 13 N -2.71 0.56 -0.05 5.12 -0.21 -1.26 -5.06 119.66 116.04 2wh3 s GLN 13 Ca 0.06 0.09 -0.09 0.00 0.02 0.00 0.00 55.36 55.44 2wh3 s GLN 13 Cb -0.04 0.25 0.02 0.00 1.00 0.00 0.00 33.01 34.24 2wh3 s GLN 13 CO 0.01 -0.13 0.22 0.14 -2.12 0.00 0.00 175.29 173.41 2wh3 s VAL 14 N -0.70 0.03 -0.02 1.09 -7.23 -1.23 -5.05 120.40 107.30 2wh3 s VAL 14 Ca -0.08 -0.27 0.09 0.00 -1.81 0.00 0.00 61.98 59.91 2wh3 s VAL 14 Cb -0.04 -0.40 -0.23 0.00 0.56 0.00 0.00 36.38 36.27 2wh3 s VAL 14 CO 0.03 -0.15 0.75 0.00 -0.31 0.00 0.00 175.10 175.41 2wh3 h ALA 15 N 5.05 0.66 -2.12 1.32 0.00 -1.83 -3.31 119.26 119.02 2wh3 h ALA 15 Ca -0.28 -1.36 -0.57 0.00 0.00 0.00 0.00 54.91 52.70 2wh3 h ALA 15 Cb 1.19 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 2wh3 h ALA 15 CO 0.38 1.49 0.87 0.45 0.00 0.00 0.00 179.25 182.45 2wh3 s SER 16 N -6.31 6.98 0.00 0.00 0.15 -1.26 -1.21 113.70 112.06 2wh3 s SER 16 Ca -0.05 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.18 2wh3 s SER 16 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2wh3 s SER 16 CO 0.82 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2wh3 n GLY 17 N 3.54 5.24 3.64 9.45 0.00 -0.94 -4.27 105.19 121.86 2wh3 n GLY 17 Ca 0.13 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 2wh3 n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wh3 s ARG 18 N 1.50 0.48 0.02 1.61 3.52 -0.04 -3.80 118.95 122.24 2wh3 s ARG 18 Ca 0.00 0.64 0.08 0.00 -0.13 0.00 0.00 55.73 56.31 2wh3 s ARG 18 Cb 0.00 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 2wh3 s ARG 18 CO 0.00 -0.07 -0.23 0.00 -0.81 0.00 0.00 175.30 174.19 2wh3 s ALA 19 N 0.54 1.94 -0.04 6.12 0.00 -1.16 0.61 121.76 129.76 2wh3 s ALA 19 Ca -0.00 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.93 2wh3 s ALA 19 Cb -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2wh3 s ALA 19 CO -0.09 0.46 -0.19 0.71 0.00 0.00 0.00 175.76 176.65 2wh3 s TYR 20 N -0.69 2.55 -0.28 0.00 1.51 -0.55 -1.83 117.35 118.05 2wh3 s TYR 20 Ca 0.09 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 2wh3 s TYR 20 Cb -0.09 -1.59 0.08 0.00 -0.11 0.00 0.00 41.96 40.25 2wh3 s TYR 20 CO 0.01 0.05 -0.03 0.42 -1.11 0.00 0.00 175.55 174.89 2wh3 s ILE 21 N -0.59 1.94 -0.24 2.71 1.09 -0.67 -1.72 121.20 123.70 2wh3 s ILE 21 Ca 0.09 -1.74 -0.18 0.00 -1.10 0.00 0.00 60.65 57.72 2wh3 s ILE 21 Cb -0.11 -2.24 -0.03 0.00 -1.06 0.00 0.00 42.46 39.03 2wh3 s ILE 21 CO 0.00 -0.28 0.50 -2.28 -0.10 0.00 0.00 174.94 172.78 2wh3 s HIS 22 N 1.15 3.30 -0.25 3.97 2.46 -0.17 0.14 115.29 125.90 2wh3 s HIS 22 Ca -0.00 0.66 -0.03 0.00 0.47 0.00 0.00 55.06 56.16 2wh3 s HIS 22 Cb -0.19 -2.69 0.02 0.00 -0.13 0.00 0.00 32.58 29.59 2wh3 s HIS 22 CO -0.08 -0.21 -0.04 0.00 -2.47 0.00 0.00 174.74 171.94 2wh3 s ALA 23 N 2.05 2.77 0.10 1.58 0.00 0.15 -1.68 121.76 126.73 2wh3 s ALA 23 Ca 0.22 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.78 2wh3 s ALA 23 Cb -0.15 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2wh3 s ALA 23 CO 0.09 -0.75 0.05 0.45 0.00 0.00 0.00 175.76 175.60 2wh3 n SER 24 N 4.72 1.62 -0.03 0.00 2.88 -0.70 -2.73 113.62 119.38 2wh3 n SER 24 Ca -0.17 -1.38 0.05 0.00 -1.33 0.00 0.00 58.87 56.05 2wh3 n SER 24 Cb 0.48 0.02 -0.16 0.00 -0.75 0.00 0.00 64.21 63.80 2wh3 n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2wh3 n TYR 25 N -0.58 0.00 0.91 0.66 4.02 -1.26 -4.23 117.16 116.67 2wh3 n TYR 25 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.98 2wh3 n TYR 25 Cb 0.12 -0.59 0.08 0.00 -0.02 0.00 0.00 39.34 38.93 2wh3 n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wh3 n ASN 26 N -2.34 2.68 0.00 7.72 3.02 -1.26 -4.66 115.26 120.42 2wh3 n ASN 26 Ca -0.11 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 2wh3 n ASN 26 Cb 0.68 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 2wh3 n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wh3 n ASN 27 N 1.04 0.00 -4.05 6.41 5.15 -1.26 -2.73 115.26 119.81 2wh3 n ASN 27 Ca 0.12 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.85 2wh3 n ASN 27 Cb 0.53 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.61 2wh3 n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wh3 s THR 28 N -2.00 1.19 0.17 -0.44 2.01 -1.25 -1.72 115.64 113.60 2wh3 s THR 28 Ca 0.00 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.56 2wh3 s THR 28 Cb 0.00 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 2wh3 s THR 28 CO 0.00 0.36 -0.20 0.27 -0.69 0.00 0.00 174.62 174.36 2wh3 s ILE 29 N 0.45 1.98 -0.13 1.82 -5.25 -0.68 -2.69 121.20 116.69 2wh3 s ILE 29 Ca -0.11 -1.92 -0.01 0.00 -0.99 0.00 0.00 60.65 57.62 2wh3 s ILE 29 Cb -0.14 -1.90 0.04 0.00 2.95 0.00 0.00 42.46 43.41 2wh3 s ILE 29 CO 0.03 -0.23 -0.01 0.68 -1.79 0.00 0.00 174.94 173.62 2wh3 s VAL 30 N -1.85 0.70 -0.20 8.37 -7.23 0.18 -0.99 120.40 119.38 2wh3 s VAL 30 Ca 0.16 -0.32 0.01 0.00 -1.81 0.00 0.00 61.98 60.03 2wh3 s VAL 30 Cb -0.07 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 35.96 2wh3 s VAL 30 CO 0.07 0.12 -0.16 0.28 -0.31 0.00 0.00 175.10 175.10 2wh3 s THR 31 N 1.81 2.23 -0.21 5.32 -1.32 -0.70 0.32 115.64 123.10 2wh3 s THR 31 Ca 0.02 -1.05 -0.13 0.00 -1.21 0.00 0.00 61.69 59.33 2wh3 s THR 31 Cb -0.14 -2.03 -0.05 0.00 -1.51 0.00 0.00 72.50 68.77 2wh3 s THR 31 CO -0.07 0.40 0.25 -0.63 -2.21 0.00 0.00 174.62 172.36 2wh3 s ILE 32 N 1.27 5.31 0.10 5.08 1.01 0.11 -1.48 121.20 132.59 2wh3 s ILE 32 Ca 0.02 0.40 0.07 0.00 0.00 0.00 0.00 60.65 61.14 2wh3 s ILE 32 Cb -0.15 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2wh3 s ILE 32 CO -0.10 0.33 -0.17 0.42 0.00 0.00 0.00 174.94 175.42 2wh3 s THR 33 N 0.98 1.42 1.24 2.92 -4.23 0.20 0.24 115.64 118.41 2wh3 s THR 33 Ca 0.13 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 58.97 2wh3 s THR 33 Cb -0.14 -1.38 0.29 0.00 1.34 0.00 0.00 72.50 72.61 2wh3 s THR 33 CO 0.05 -0.20 0.80 -0.90 -0.54 0.00 0.00 174.62 173.82 2wh3 n ASP 34 N 1.01 -2.46 0.00 3.99 5.75 -0.96 -0.86 116.55 123.02 2wh3 n ASP 34 Ca -0.19 -0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.26 2wh3 n ASP 34 Cb 0.55 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 2wh3 n ASP 34 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2wh3 n PRO 35 N -4.62 0.00 -0.05 0.11 -0.02 -1.26 0.08 135.00 129.24 2wh3 n PRO 35 Ca 0.04 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.48 2wh3 n PRO 35 Cb 0.56 -1.12 -0.09 0.00 -0.02 0.00 0.00 33.50 32.83 2wh3 n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wh3 n ASP 36 N -0.60 2.25 0.00 2.55 10.43 -1.26 -5.01 116.55 124.91 2wh3 n ASP 36 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2wh3 n ASP 36 Cb 0.00 0.90 0.00 0.00 1.84 0.00 0.00 41.12 43.86 2wh3 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wh3 n GLY 37 N 2.23 0.79 3.62 0.44 0.00 0.11 -5.07 105.19 107.31 2wh3 n GLY 37 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 2wh3 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wh3 s ASN 38 N -1.48 6.59 -0.35 1.61 0.01 -1.26 -4.74 114.94 115.32 2wh3 s ASN 38 Ca 0.00 0.91 -0.40 0.00 -0.71 0.00 0.00 52.86 52.67 2wh3 s ASN 38 Cb 0.00 -2.54 -0.15 0.00 0.41 0.00 0.00 41.25 38.97 2wh3 s ASN 38 CO 0.00 -1.20 1.93 -2.65 -1.51 0.00 0.00 177.10 173.67 2wh3 n PRO 39 N 7.61 0.86 -0.06 -0.60 -0.02 -1.26 -2.27 135.00 139.25 2wh3 n PRO 39 Ca 0.14 0.29 -0.08 0.00 -2.02 0.00 0.00 63.50 61.83 2wh3 n PRO 39 Cb 0.48 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 2wh3 n PRO 39 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2wh3 h ILE 40 N 6.06 0.89 -2.33 4.25 1.08 -0.56 -3.48 117.51 123.43 2wh3 h ILE 40 Ca -0.35 -1.69 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 2wh3 h ILE 40 Cb 1.34 1.70 -0.17 0.00 -3.07 0.00 0.00 36.82 36.63 2wh3 h ILE 40 CO 1.00 0.30 0.30 -0.89 -0.69 0.00 0.00 178.15 178.17 2wh3 s THR 41 N -1.92 0.00 0.04 -0.27 2.01 -1.10 -5.05 115.64 109.35 2wh3 s THR 41 Ca -0.11 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2wh3 s THR 41 Cb -0.01 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.50 2wh3 s THR 41 CO 0.36 0.00 0.01 -2.67 -0.69 0.00 0.00 174.62 171.63 2wh3 n TRP 42 N 0.26 0.02 -3.62 4.92 4.27 -1.26 -0.71 117.44 121.32 2wh3 n TRP 42 Ca -0.15 -0.27 0.01 0.00 -3.89 0.00 0.00 57.50 53.20 2wh3 n TRP 42 Cb 0.61 -0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.55 2wh3 n TRP 42 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2wh3 s SER 43 N -1.26 -0.07 0.25 -0.67 0.15 0.15 -4.72 113.70 107.53 2wh3 s SER 43 Ca 0.02 -0.13 -0.21 0.00 0.70 0.00 0.00 55.95 56.33 2wh3 s SER 43 Cb 0.00 0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 2wh3 s SER 43 CO 0.01 -0.30 0.89 -0.94 1.20 0.00 0.00 173.24 174.10 2wh3 s SER 44 N -2.92 -0.09 0.45 5.45 1.04 -1.26 0.48 113.70 116.85 2wh3 s SER 44 Ca 0.14 -0.73 0.15 0.00 0.48 0.00 0.00 55.95 55.99 2wh3 s SER 44 Cb 0.04 0.64 1.01 0.00 0.10 0.00 0.00 66.02 67.81 2wh3 s SER 44 CO -0.04 -1.23 1.99 1.23 0.98 0.00 0.00 173.24 176.16 2wh3 h GLY 45 N 2.00 0.00 1.80 7.32 0.00 -1.71 -0.79 103.07 111.68 2wh3 h GLY 45 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 2wh3 h GLY 45 CO 0.32 0.00 -0.85 -1.33 0.00 0.00 0.00 176.54 174.68 2wh3 h GLY 46 N 0.59 0.20 0.15 4.60 0.00 -1.77 -2.67 103.07 104.16 2wh3 h GLY 46 Ca -0.00 -0.35 0.15 0.00 0.00 0.00 0.00 47.33 47.14 2wh3 h GLY 46 CO 0.02 0.31 0.39 -2.08 0.00 0.00 0.00 176.54 175.18 2wh3 h VAL 47 N 0.10 0.67 -0.62 4.60 2.07 -1.40 -3.39 116.25 118.28 2wh3 h VAL 47 Ca -0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2wh3 h VAL 47 Cb 1.46 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2wh3 h VAL 47 CO 0.13 0.10 0.00 -0.38 0.02 0.00 0.00 177.57 177.44 2wh3 n ILE 48 N -4.93 0.00 1.38 4.57 2.08 -1.13 -4.91 119.36 116.43 2wh3 n ILE 48 Ca 0.17 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.56 2wh3 n ILE 48 Cb 0.46 -1.24 0.33 0.00 -0.75 0.00 0.00 39.64 38.44 2wh3 n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wh3 n GLY 49 N 4.40 -0.02 3.64 7.39 0.00 -1.26 -4.87 105.19 114.47 2wh3 n GLY 49 Ca 0.00 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2wh3 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh3 s TYR 50 N -1.80 3.31 0.02 1.61 4.12 -1.02 -5.03 117.35 118.57 2wh3 s TYR 50 Ca 0.27 0.82 0.01 0.00 0.02 0.00 0.00 57.07 58.19 2wh3 s TYR 50 Cb 0.14 -2.80 -0.01 0.00 -1.52 0.00 0.00 41.96 37.77 2wh3 s TYR 50 CO 0.21 -0.26 -0.05 -1.59 0.02 0.00 0.00 175.55 173.88 2wh3 s LYS 51 N 2.23 0.39 0.00 -0.62 0.00 -1.26 -2.65 119.74 117.83 2wh3 s LYS 51 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 55.97 55.75 2wh3 s LYS 51 Cb -0.16 -0.21 0.00 0.00 0.00 0.00 0.00 37.83 37.47 2wh3 s LYS 51 CO 0.09 0.04 0.00 0.41 0.00 0.00 0.00 175.35 175.89 2wh3 n GLY 52 N 2.10 0.81 0.11 0.59 0.00 -1.26 -4.32 105.19 103.22 2wh3 n GLY 52 Ca -0.19 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 2wh3 n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wh3 h SER 53 N 0.00 0.43 0.36 1.61 4.64 -1.98 -3.17 113.55 115.44 2wh3 h SER 53 Ca 0.00 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2wh3 h SER 53 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2wh3 h SER 53 CO 0.00 1.38 0.00 0.03 -0.87 0.00 0.00 176.83 177.37 2wh3 h ARG 54 N 0.08 0.00 -0.23 4.77 3.08 -1.90 -2.01 114.38 118.16 2wh3 h ARG 54 Ca -0.15 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.91 2wh3 h ARG 54 Cb 1.99 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.02 2wh3 h ARG 54 CO 0.20 0.00 0.15 -0.22 -1.07 0.00 0.00 179.97 179.03 2wh3 h LYS 55 N 0.00 0.25 -0.66 0.04 3.64 -1.75 -1.66 116.57 116.43 2wh3 h LYS 55 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wh3 h LYS 55 Cb 0.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2wh3 h LYS 55 CO 0.00 0.17 0.00 0.41 -2.27 0.00 0.00 179.45 177.76 2wh3 n GLY 56 N -1.51 2.22 3.71 5.01 0.00 -0.76 -3.77 105.19 110.09 2wh3 n GLY 56 Ca 0.01 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 2wh3 n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wh3 n THR 57 N 1.56 4.09 -0.01 2.61 -1.04 -0.63 -3.68 114.28 117.18 2wh3 n THR 57 Ca 0.23 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.05 61.70 2wh3 n THR 57 Cb 0.60 -1.40 -0.00 0.00 -1.82 0.00 0.00 70.33 67.71 2wh3 n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2wh3 h PRO 58 N 0.10 0.65 0.00 -2.82 0.13 -1.90 -1.95 132.00 126.22 2wh3 h PRO 58 Ca -0.50 -0.46 -0.02 0.00 -0.87 0.00 0.00 66.00 64.16 2wh3 h PRO 58 Cb 1.33 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.53 2wh3 h PRO 58 CO 0.51 1.08 -0.07 -0.92 -0.23 0.00 0.00 178.00 178.37 2wh3 h TYR 59 N 0.48 0.00 -0.01 1.56 3.20 -1.95 -1.51 116.97 118.74 2wh3 h TYR 59 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2wh3 h TYR 59 Cb 1.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.49 2wh3 h TYR 59 CO 0.06 0.07 -0.04 0.00 -1.64 0.00 0.00 178.16 176.62 2wh3 h ALA 60 N 1.93 0.02 -0.58 1.82 0.00 -1.72 -1.14 119.26 119.59 2wh3 h ALA 60 Ca -0.00 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2wh3 h ALA 60 Cb 0.18 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2wh3 h ALA 60 CO 0.01 -0.14 0.35 0.00 0.00 0.00 0.00 179.25 179.47 2wh3 h ALA 61 N 0.39 0.75 0.37 0.00 0.00 -0.89 0.86 119.26 120.73 2wh3 h ALA 61 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wh3 h ALA 61 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2wh3 h ALA 61 CO 0.01 0.07 -0.26 0.37 0.00 0.00 0.00 179.25 179.44 2wh3 h GLN 62 N 0.69 -0.58 -0.09 0.00 4.15 -1.32 0.54 115.11 118.49 2wh3 h GLN 62 Ca 0.23 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.72 2wh3 h GLN 62 Cb 0.03 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 2wh3 h GLN 62 CO -0.10 -0.39 0.43 1.25 -1.93 0.00 0.00 178.83 178.09 2wh3 h LEU 63 N -0.60 0.00 0.00 -2.39 6.46 -0.83 -2.12 115.31 115.82 2wh3 h LEU 63 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2wh3 h LEU 63 Cb 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 2wh3 h LEU 63 CO 0.03 0.00 -0.19 0.00 -0.62 0.00 0.00 178.44 177.65 2wh3 h ALA 64 N 1.22 0.00 -0.88 1.25 0.00 0.20 -3.21 119.26 117.85 2wh3 h ALA 64 Ca 0.04 -0.21 0.25 0.00 0.00 0.00 0.00 54.91 55.00 2wh3 h ALA 64 Cb 0.91 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2wh3 h ALA 64 CO -0.00 0.19 0.83 0.00 0.00 0.00 0.00 179.25 180.27 2wh3 h ALA 65 N -1.16 2.72 -0.06 0.00 0.00 0.61 0.72 119.26 122.09 2wh3 h ALA 65 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2wh3 h ALA 65 Cb 0.19 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wh3 h ALA 65 CO 0.00 -1.28 -0.65 -0.07 0.00 0.00 0.00 179.25 177.25 2wh3 h LEU 66 N 0.00 0.67 -0.10 0.00 3.38 -1.54 -1.66 115.31 116.07 2wh3 h LEU 66 Ca 0.42 -0.70 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2wh3 h LEU 66 Cb 2.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 2wh3 h LEU 66 CO -0.00 1.27 0.03 -0.78 0.09 0.00 0.00 178.44 179.05 2wh3 h ASP 67 N 0.13 0.03 -0.86 -0.43 -0.00 0.41 -1.40 116.42 114.31 2wh3 h ASP 67 Ca -0.07 0.01 0.07 0.00 -0.00 0.00 0.00 57.03 57.05 2wh3 h ASP 67 Cb 1.32 0.01 -0.06 0.00 -0.00 0.00 0.00 39.33 40.60 2wh3 h ASP 67 CO 0.13 0.04 0.56 0.00 -0.00 0.00 0.00 179.24 179.97 2wh3 h ALA 68 N 1.06 1.59 0.74 -0.78 0.00 -1.27 -2.57 119.26 118.02 2wh3 h ALA 68 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wh3 h ALA 68 Cb 0.02 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wh3 h ALA 68 CO -0.04 0.27 -0.35 0.00 0.00 0.00 0.00 179.25 179.12 2wh3 h ALA 69 N 1.54 -0.99 -0.52 0.00 0.00 -0.40 -2.66 119.26 116.23 2wh3 h ALA 69 Ca 0.38 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2wh3 h ALA 69 Cb 0.27 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2wh3 h ALA 69 CO -0.14 -1.03 -0.04 -0.22 0.00 0.00 0.00 179.25 177.82 2wh3 h LYS 70 N -1.05 0.08 -0.53 0.00 3.64 -1.03 0.30 116.57 117.98 2wh3 h LYS 70 Ca -0.10 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.40 2wh3 h LYS 70 Cb 0.77 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2wh3 h LYS 70 CO 0.17 0.05 0.37 0.87 -2.27 0.00 0.00 179.45 178.63 2wh3 h LYS 71 N 0.08 0.15 0.00 1.90 1.57 -1.44 0.31 116.57 119.14 2wh3 h LYS 71 Ca 0.26 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.86 2wh3 h LYS 71 Cb 0.40 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2wh3 h LYS 71 CO -0.47 0.10 -0.81 0.00 -0.57 0.00 0.00 179.45 177.70 2wh3 h ALA 72 N 1.74 0.55 0.76 3.86 0.00 -0.14 -3.27 119.26 122.75 2wh3 h ALA 72 Ca 0.25 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2wh3 h ALA 72 Cb 0.77 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2wh3 h ALA 72 CO -0.04 1.02 -0.37 0.52 0.00 0.00 0.00 179.25 180.39 2wh3 h MET 73 N 0.00 -0.99 -0.04 0.00 2.86 0.17 0.20 114.93 117.13 2wh3 h MET 73 Ca -0.01 0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2wh3 h MET 73 Cb 1.54 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 33.42 2wh3 h MET 73 CO 0.11 -0.64 0.49 0.00 1.06 0.00 0.00 176.91 177.93 2wh3 h ALA 74 N -0.96 1.55 -0.00 6.32 0.00 -1.44 2.36 119.26 127.08 2wh3 h ALA 74 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wh3 h ALA 74 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wh3 h ALA 74 CO 0.17 -0.51 -0.50 0.66 0.00 0.00 0.00 179.25 179.06 2wh3 n TYR 75 N -2.86 0.00 -0.17 0.00 4.02 -0.78 -4.94 117.16 112.43 2wh3 n TYR 75 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2wh3 n TYR 75 Cb 0.54 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 2wh3 n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh3 n GLY 76 N 1.47 0.90 3.71 2.72 0.00 0.80 -3.49 105.19 111.30 2wh3 n GLY 76 Ca 0.07 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2wh3 n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wh3 s MET 77 N -0.44 4.29 0.00 1.61 0.00 0.64 -3.23 119.30 122.17 2wh3 s MET 77 Ca 0.00 2.12 0.00 0.00 0.00 0.00 0.00 55.69 57.81 2wh3 s MET 77 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 34.83 31.50 2wh3 s MET 77 CO 0.00 -0.51 0.00 1.04 0.00 0.00 0.00 175.02 175.55 2wh3 n GLN 78 N 4.36 0.00 -3.56 4.11 1.13 -0.35 -4.57 117.38 118.50 2wh3 n GLN 78 Ca 0.12 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.82 2wh3 n GLN 78 Cb 0.42 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.69 2wh3 n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2wh3 s SER 79 N -0.29 6.29 0.08 1.08 1.04 -1.19 -2.23 113.70 118.48 2wh3 s SER 79 Ca 0.00 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2wh3 s SER 79 Cb 0.00 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 2wh3 s SER 79 CO 0.00 0.05 -0.05 0.68 0.98 0.00 0.00 173.24 174.90 2wh3 s VAL 80 N 0.91 0.50 0.00 5.02 -7.23 -1.02 -2.22 120.40 116.36 2wh3 s VAL 80 Ca 0.13 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 2wh3 s VAL 80 Cb -0.13 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.20 2wh3 s VAL 80 CO 0.04 -0.92 0.00 0.47 -0.31 0.00 0.00 175.10 174.38 2wh3 n ASP 81 N 0.03 0.00 -3.61 4.85 9.92 -1.25 -0.12 116.55 126.37 2wh3 n ASP 81 Ca -0.13 -0.51 -0.16 0.00 -0.53 0.00 0.00 54.79 53.47 2wh3 n ASP 81 Cb 0.61 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.02 2wh3 n ASP 81 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wh3 s VAL 82 N 1.41 0.01 -0.27 2.53 1.01 -1.20 -3.00 120.40 120.89 2wh3 s VAL 82 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2wh3 s VAL 82 Cb 0.00 -0.88 0.12 0.00 0.00 0.00 0.00 36.38 35.63 2wh3 s VAL 82 CO 0.00 -0.05 0.26 -0.63 0.00 0.00 0.00 175.10 174.68 2wh3 s ILE 83 N -0.75 -0.35 0.29 2.22 1.01 -0.76 -1.82 121.20 121.05 2wh3 s ILE 83 Ca -0.08 -0.43 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 2wh3 s ILE 83 Cb -0.02 -0.92 -0.09 0.00 0.01 0.00 0.00 42.46 41.45 2wh3 s ILE 83 CO 0.06 -0.44 0.71 0.68 0.00 0.00 0.00 174.94 175.95 2wh3 s VAL 84 N 2.32 4.70 -0.04 2.92 -7.23 0.28 -1.67 120.40 121.68 2wh3 s VAL 84 Ca 0.09 0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 61.19 2wh3 s VAL 84 Cb -0.15 -3.66 0.03 0.00 0.56 0.00 0.00 36.38 33.17 2wh3 s VAL 84 CO -0.29 -0.09 0.05 -0.13 -0.31 0.00 0.00 175.10 174.33 2wh3 s ARG 85 N -2.76 0.02 0.56 4.82 0.52 0.12 -0.92 118.95 121.31 2wh3 s ARG 85 Ca 0.51 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 56.04 2wh3 s ARG 85 Cb -0.12 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.82 2wh3 s ARG 85 CO 0.18 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.61 2wh3 n GLY 86 N 5.13 -0.66 3.15 -3.53 0.00 -1.26 0.32 105.19 108.33 2wh3 n GLY 86 Ca -0.07 -1.74 -0.19 0.00 0.00 0.00 0.00 46.02 44.02 2wh3 n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wh3 n THR 87 N 0.00 0.00 0.00 2.61 -1.04 -1.11 -4.87 114.28 109.87 2wh3 n THR 87 Ca 0.00 -2.39 0.00 0.00 -2.04 0.00 0.00 64.05 59.62 2wh3 n THR 87 Cb 0.00 1.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.69 2wh3 n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wh3 n GLY 88 N -0.63 4.09 0.00 3.41 0.00 -1.26 -3.02 105.19 107.78 2wh3 n GLY 88 Ca 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2wh3 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh3 n ALA 89 N -1.46 0.00 -1.83 4.61 0.00 -1.26 -2.94 120.51 117.63 2wh3 n ALA 89 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2wh3 n ALA 89 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 2wh3 n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wh3 s GLY 90 N 0.00 -0.13 0.17 0.00 0.00 -1.24 -4.30 107.32 101.82 2wh3 s GLY 90 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2wh3 s GLY 90 CO 0.00 3.76 0.00 -2.13 0.00 0.00 0.00 173.10 174.73 2wh3 n ARG 91 N 9.05 0.00 0.05 2.90 0.00 -1.15 -4.74 116.66 122.77 2wh3 n ARG 91 Ca 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 58.12 2wh3 n ARG 91 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.89 2wh3 n ARG 91 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2wh3 h GLU 92 N 0.00 0.00 0.00 -0.14 4.57 -1.85 -2.99 114.58 114.17 2wh3 h GLU 92 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2wh3 h GLU 92 Cb 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2wh3 h GLU 92 CO 0.00 0.62 -0.05 1.96 -1.18 0.00 0.00 179.01 180.36 2wh3 h GLN 93 N 0.00 0.00 0.18 1.92 1.08 -1.88 0.72 115.11 117.13 2wh3 h GLN 93 Ca -0.12 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2wh3 h GLN 93 Cb 1.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.16 2wh3 h GLN 93 CO 0.09 0.05 -0.09 0.00 -0.95 0.00 0.00 178.83 177.93 2wh3 h ALA 94 N 1.95 -0.24 0.09 3.87 0.00 -1.80 -2.02 119.26 121.12 2wh3 h ALA 94 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2wh3 h ALA 94 Cb 0.16 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2wh3 h ALA 94 CO 0.01 -0.27 -0.21 0.82 0.00 0.00 0.00 179.25 179.59 2wh3 h ILE 95 N -0.98 0.51 -0.19 0.00 1.08 -1.23 -1.19 117.51 115.52 2wh3 h ILE 95 Ca -0.02 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 2wh3 h ILE 95 Cb 0.42 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.68 2wh3 h ILE 95 CO 0.04 0.00 0.19 0.03 -0.69 0.00 0.00 178.15 177.72 2wh3 h ARG 96 N -0.39 0.00 -0.10 2.37 3.08 0.31 -1.06 114.38 118.58 2wh3 h ARG 96 Ca 0.03 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 2wh3 h ARG 96 Cb 0.42 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.48 2wh3 h ARG 96 CO -0.13 0.00 -0.64 0.00 -1.07 0.00 0.00 179.97 178.13 2wh3 h ALA 97 N 1.81 0.22 0.00 0.04 0.00 -0.46 -3.04 119.26 117.82 2wh3 h ALA 97 Ca 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wh3 h ALA 97 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wh3 h ALA 97 CO -0.00 0.50 0.00 1.28 0.00 0.00 0.00 179.25 181.02 2wh3 n LEU 98 N -4.11 0.00 -0.00 0.00 4.77 -0.42 -3.13 117.00 114.11 2wh3 n LEU 98 Ca -0.08 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2wh3 n LEU 98 Cb 0.67 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2wh3 n LEU 98 CO 0.49 0.00 -0.00 1.56 -1.33 0.00 0.00 177.39 178.11 2wh3 h GLN 99 N 0.00 0.00 -1.97 3.23 1.08 -1.39 -3.36 115.11 112.70 2wh3 h GLN 99 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2wh3 h GLN 99 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2wh3 h GLN 99 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 2wh3 n ALA 100 N -2.04 3.17 -0.10 3.87 0.00 -1.18 -3.56 120.51 120.66 2wh3 n ALA 100 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2wh3 n ALA 100 Cb 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.01 2wh3 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wh3 n SER 101 N 1.62 0.90 0.00 0.00 3.41 -1.21 -5.00 113.62 113.34 2wh3 n SER 101 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2wh3 n SER 101 Cb 0.34 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 2wh3 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh3 n GLY 102 N 2.00 0.99 3.44 5.00 0.00 -1.23 -4.96 105.19 110.43 2wh3 n GLY 102 Ca -0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2wh3 n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh3 s LEU 103 N 0.00 3.14 -0.20 0.99 2.01 -1.26 -4.92 118.68 118.43 2wh3 s LEU 103 Ca 0.00 -0.21 -0.29 0.00 0.01 0.00 0.00 54.13 53.64 2wh3 s LEU 103 Cb 0.00 -1.77 -0.04 0.00 0.01 0.00 0.00 46.19 44.39 2wh3 s LEU 103 CO 0.00 0.11 1.86 -1.58 1.01 0.00 0.00 176.35 177.75 2wh3 s GLN 104 N 0.70 3.59 -0.99 1.70 0.74 -0.95 -4.81 119.66 119.64 2wh3 s GLN 104 Ca -0.02 1.85 -0.23 0.00 0.05 0.00 0.00 55.36 57.01 2wh3 s GLN 104 Cb -0.14 -4.17 -0.13 0.00 1.10 0.00 0.00 33.01 29.66 2wh3 s GLN 104 CO 0.02 -1.56 1.92 0.28 -0.55 0.00 0.00 175.29 175.41 2wh3 n VAL 105 N 6.82 1.70 0.29 1.34 0.31 -1.26 -2.43 118.33 125.09 2wh3 n VAL 105 Ca 0.23 -1.67 0.11 0.00 -0.01 0.00 0.00 64.34 63.00 2wh3 n VAL 105 Cb 0.45 -2.20 0.53 0.00 -0.91 0.00 0.00 33.84 31.70 2wh3 n VAL 105 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2wh3 h LYS 106 N 9.20 0.00 -2.15 5.55 1.57 -0.84 -3.44 116.57 126.46 2wh3 h LYS 106 Ca 0.28 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.38 2wh3 h LYS 106 Cb 0.84 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.08 2wh3 h LYS 106 CO 1.50 0.00 0.86 0.45 -0.57 0.00 0.00 179.45 181.69 2wh3 s SER 107 N -3.98 0.00 -0.26 0.86 0.15 -1.24 -4.92 113.70 104.31 2wh3 s SER 107 Ca -0.02 -0.26 -0.15 0.00 0.70 0.00 0.00 55.95 56.21 2wh3 s SER 107 Cb 0.07 0.19 0.08 0.00 -1.71 0.00 0.00 66.02 64.65 2wh3 s SER 107 CO 0.21 -0.39 0.64 -0.63 1.20 0.00 0.00 173.24 174.28 2wh3 s ILE 108 N -2.06 -0.00 -0.05 6.45 1.01 -1.26 -3.24 121.20 122.04 2wh3 s ILE 108 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 2wh3 s ILE 108 Cb -0.01 -0.93 0.04 0.00 0.01 0.00 0.00 42.46 41.57 2wh3 s ILE 108 CO -0.00 0.01 0.11 -0.69 0.00 0.00 0.00 174.94 174.37 2wh3 s VAL 109 N 1.54 -0.09 -0.77 2.92 1.01 -0.75 -4.95 120.40 119.31 2wh3 s VAL 109 Ca -0.09 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 2wh3 s VAL 109 Cb -0.06 -0.20 0.09 0.00 0.00 0.00 0.00 36.38 36.22 2wh3 s VAL 109 CO -0.18 0.10 1.02 -0.62 0.00 0.00 0.00 175.10 175.42 2wh3 s ASP 110 N 1.41 6.35 -0.34 3.32 2.15 -1.26 -0.55 116.67 127.75 2wh3 s ASP 110 Ca -0.06 -1.42 -0.10 0.00 0.43 0.00 0.00 52.55 51.40 2wh3 s ASP 110 Cb -0.12 -2.41 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 2wh3 s ASP 110 CO -0.05 -1.29 0.18 -0.62 -0.17 0.00 0.00 175.17 173.22 2wh3 s ASP 111 N 3.70 5.66 -0.03 -0.34 3.68 -0.10 -4.96 116.67 124.30 2wh3 s ASP 111 Ca 0.26 -0.69 -0.03 0.00 2.13 0.00 0.00 52.55 54.22 2wh3 s ASP 111 Cb -0.12 -2.02 0.01 0.00 -1.45 0.00 0.00 42.92 39.33 2wh3 s ASP 111 CO 0.02 -0.27 0.08 -0.89 0.13 0.00 0.00 175.17 174.24 2wh3 s THR 112 N 1.60 0.01 0.03 1.71 2.01 -1.26 -3.90 115.64 115.84 2wh3 s THR 112 Ca 0.04 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 2wh3 s THR 112 Cb -0.18 -0.15 -0.09 0.00 0.01 0.00 0.00 72.50 72.10 2wh3 s THR 112 CO 0.07 -0.04 1.94 -2.16 -0.69 0.00 0.00 174.62 173.74 2wh3 s PRO 113 N -0.09 4.14 -0.79 4.92 0.04 -1.26 -4.96 135.00 137.01 2wh3 s PRO 113 Ca -0.01 2.59 0.02 0.00 0.04 0.00 0.00 61.00 63.64 2wh3 s PRO 113 Cb -0.01 -4.13 0.25 0.00 0.04 0.00 0.00 34.50 30.64 2wh3 s PRO 113 CO 0.00 -0.95 0.89 1.55 0.04 0.00 0.00 177.00 178.54 2wh3 n VAL 114 N 5.53 3.06 -1.68 -0.36 3.14 -1.26 -5.07 118.33 121.70 2wh3 n VAL 114 Ca 0.20 -5.33 -0.49 0.00 -2.96 0.00 0.00 64.34 55.76 2wh3 n VAL 114 Cb 0.41 -2.15 -0.05 0.00 -1.06 0.00 0.00 33.84 30.99 2wh3 n VAL 114 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2wh3 n PRO 115 N 1.32 2.05 -0.34 1.45 -0.04 -1.26 -4.77 135.00 133.41 2wh3 n PRO 115 Ca 0.27 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.47 2wh3 n PRO 115 Cb 0.38 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 2wh3 n PRO 115 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wh3 n HIS 116 N 5.46 0.00 -1.66 0.54 8.25 -1.26 -4.65 115.22 121.90 2wh3 n HIS 116 Ca 0.21 -0.72 -0.00 0.00 -0.26 0.00 0.00 57.72 56.95 2wh3 n HIS 116 Cb 0.28 -0.41 -0.00 0.00 1.12 0.00 0.00 29.99 30.97 2wh3 n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wh3 n ASN 117 N 1.49 -2.27 0.00 0.41 5.03 -1.26 -5.12 115.26 113.54 2wh3 n ASN 117 Ca 0.00 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.64 2wh3 n ASN 117 Cb 0.39 -1.58 0.00 0.00 -1.02 0.00 0.00 39.78 37.56 2wh3 n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wh3 n GLY 118 N 0.17 0.15 3.41 7.41 0.00 -1.26 -5.05 105.19 110.01 2wh3 n GLY 118 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2wh3 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh3 n ARG 120 N 4.96 1.21 -0.62 0.00 1.85 -1.26 -4.88 116.66 117.92 2wh3 n ARG 120 Ca -0.14 0.38 -0.25 0.00 -1.00 0.00 0.00 57.85 56.85 2wh3 n ARG 120 Cb 0.49 -2.37 0.15 0.00 -1.05 0.00 0.00 32.46 29.67 2wh3 n ARG 120 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2wh3 n PRO 121 N 7.28 -1.87 -2.11 2.89 -0.02 -1.26 -4.95 135.00 134.97 2wh3 n PRO 121 Ca 0.36 -0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 60.94 2wh3 n PRO 121 Cb 0.20 -1.51 0.02 0.00 -0.02 0.00 0.00 33.50 32.19 2wh3 n PRO 121 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wh3 s LYS 122 N -3.34 3.14 0.52 -0.52 1.02 -1.26 -4.53 119.74 114.77 2wh3 s LYS 122 Ca 0.43 1.66 0.36 0.00 0.02 0.00 0.00 55.97 58.44 2wh3 s LYS 122 Cb -0.07 -1.97 1.52 0.00 -0.52 0.00 0.00 37.83 36.80 2wh3 s LYS 122 CO 0.48 -1.03 1.75 -0.22 -0.92 0.00 0.00 175.35 175.41 2wh3 h LYS 123 N 0.94 0.05 -0.26 1.68 3.64 -1.98 0.46 116.57 121.10 2wh3 h LYS 123 Ca -0.50 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.93 2wh3 h LYS 123 Cb 1.27 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 2wh3 h LYS 123 CO 0.56 0.03 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.47 2wh3 h LYS 124 N 0.05 -0.03 0.02 1.90 3.64 -2.03 -3.03 116.57 117.10 2wh3 h LYS 124 Ca 0.64 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.75 2wh3 h LYS 124 Cb 2.43 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 34.22 2wh3 h LYS 124 CO -0.07 -0.02 -1.49 0.74 -2.27 0.00 0.00 179.45 176.34 2wh3 h PHE 125 N -0.03 0.08 -0.88 1.91 -1.00 -0.61 -3.36 116.94 113.06 2wh3 h PHE 125 Ca 0.13 -0.06 0.21 0.00 2.81 0.00 0.00 57.97 61.07 2wh3 h PHE 125 Cb 0.23 -0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.66 2wh3 h PHE 125 CO -0.28 1.09 0.35 0.00 -1.61 0.00 0.00 178.31 177.86 2wh3 h ARG 126 N 0.01 0.35 -0.27 1.51 3.08 -0.43 -2.57 114.38 116.06 2wh3 h ARG 126 Ca -0.21 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.85 2wh3 h ARG 126 Cb 1.94 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.88 2wh3 h ARG 126 CO 0.11 0.23 -0.14 1.63 -1.07 0.00 0.00 179.97 180.73 2wh3 n LYS 127 N -5.08 -0.10 -0.94 0.04 4.76 -1.17 -0.59 118.16 115.09 2wh3 n LYS 127 Ca 0.21 0.41 -0.30 0.00 -2.87 0.00 0.00 58.31 55.76 2wh3 n LYS 127 Cb 0.63 -0.60 -0.03 0.00 -1.84 0.00 0.00 35.03 33.19 2wh3 n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wh3 n ALA 128 N -3.82 4.61 0.38 7.82 0.00 -0.97 -5.19 120.51 123.33 2wh3 n ALA 128 Ca 0.01 -2.54 0.03 0.00 0.00 0.00 0.00 53.44 50.94 2wh3 n ALA 128 Cb 0.08 -3.22 0.18 0.00 0.00 0.00 0.00 19.45 16.50 2wh3 n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95