#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 s ARG 12 N 0.00 0.90 -0.06 1.97 3.52 -1.26 -5.16 118.95 118.86 2wh1 s ARG 12 Ca 0.00 -1.19 -0.14 0.00 -0.13 0.00 0.00 55.73 54.26 2wh1 s ARG 12 Cb 0.00 -0.62 0.03 0.00 -1.56 0.00 0.00 34.95 32.80 2wh1 s ARG 12 CO 0.00 0.10 0.34 -0.65 -0.81 0.00 0.00 175.30 174.28 2wh1 s GLN 13 N -2.82 0.58 -0.05 5.12 -0.21 -1.26 -5.06 119.66 115.96 2wh1 s GLN 13 Ca 0.07 0.08 -0.09 0.00 0.02 0.00 0.00 55.36 55.43 2wh1 s GLN 13 Cb -0.03 0.27 0.02 0.00 1.00 0.00 0.00 33.01 34.26 2wh1 s GLN 13 CO 0.01 -0.14 0.22 0.14 -2.12 0.00 0.00 175.29 173.40 2wh1 s VAL 14 N -0.76 0.04 -0.03 1.09 -7.23 -1.23 -5.05 120.40 107.23 2wh1 s VAL 14 Ca -0.08 -0.30 0.11 0.00 -1.81 0.00 0.00 61.98 59.89 2wh1 s VAL 14 Cb -0.04 -0.42 -0.23 0.00 0.56 0.00 0.00 36.38 36.25 2wh1 s VAL 14 CO 0.03 -0.17 0.73 0.00 -0.31 0.00 0.00 175.10 175.38 2wh1 h ALA 15 N 4.96 0.70 -2.09 1.32 0.00 -1.83 -3.31 119.26 119.02 2wh1 h ALA 15 Ca -0.28 -1.39 -0.57 0.00 0.00 0.00 0.00 54.91 52.67 2wh1 h ALA 15 Cb 1.19 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 2wh1 h ALA 15 CO 0.38 1.53 0.88 0.45 0.00 0.00 0.00 179.25 182.49 2wh1 s SER 16 N -6.23 6.94 0.00 0.00 0.15 -1.26 -1.16 113.70 112.14 2wh1 s SER 16 Ca -0.05 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.09 2wh1 s SER 16 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2wh1 s SER 16 CO 0.82 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2wh1 n GLY 17 N 3.66 5.28 3.64 9.45 0.00 -0.94 -4.26 105.19 122.03 2wh1 n GLY 17 Ca 0.13 -1.29 -0.07 0.00 0.00 0.00 0.00 46.02 44.79 2wh1 n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wh1 s ARG 18 N 1.47 0.49 0.02 1.61 3.52 -0.10 -3.80 118.95 122.16 2wh1 s ARG 18 Ca 0.00 0.65 0.08 0.00 -0.13 0.00 0.00 55.73 56.33 2wh1 s ARG 18 Cb 0.00 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 2wh1 s ARG 18 CO 0.00 -0.07 -0.23 0.00 -0.81 0.00 0.00 175.30 174.19 2wh1 s ALA 19 N 0.58 1.91 -0.04 6.12 0.00 -1.17 0.69 121.76 129.85 2wh1 s ALA 19 Ca -0.01 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.95 2wh1 s ALA 19 Cb -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2wh1 s ALA 19 CO -0.09 0.45 -0.20 0.71 0.00 0.00 0.00 175.76 176.64 2wh1 s TYR 20 N -0.68 2.54 -0.27 0.00 1.51 -0.62 -1.85 117.35 117.99 2wh1 s TYR 20 Ca 0.09 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 2wh1 s TYR 20 Cb -0.09 -1.58 0.07 0.00 -0.11 0.00 0.00 41.96 40.25 2wh1 s TYR 20 CO 0.01 0.07 -0.04 0.42 -1.11 0.00 0.00 175.55 174.89 2wh1 s ILE 21 N -0.63 1.87 -0.23 2.71 1.09 -0.76 -1.66 121.20 123.59 2wh1 s ILE 21 Ca 0.10 -1.61 -0.17 0.00 -1.10 0.00 0.00 60.65 57.87 2wh1 s ILE 21 Cb -0.11 -2.14 -0.03 0.00 -1.06 0.00 0.00 42.46 39.12 2wh1 s ILE 21 CO 0.00 -0.21 0.44 -2.28 -0.10 0.00 0.00 174.94 172.79 2wh1 s HIS 22 N 1.20 3.31 -0.24 3.97 2.46 0.11 0.09 115.29 126.19 2wh1 s HIS 22 Ca -0.03 0.60 -0.02 0.00 0.47 0.00 0.00 55.06 56.08 2wh1 s HIS 22 Cb -0.19 -2.61 0.02 0.00 -0.13 0.00 0.00 32.58 29.66 2wh1 s HIS 22 CO -0.07 -0.15 -0.06 0.00 -2.47 0.00 0.00 174.74 171.98 2wh1 s ALA 23 N 1.82 2.71 0.12 1.58 0.00 0.14 -1.57 121.76 126.56 2wh1 s ALA 23 Ca 0.19 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.78 2wh1 s ALA 23 Cb -0.15 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.30 2wh1 s ALA 23 CO 0.09 -0.71 0.06 0.45 0.00 0.00 0.00 175.76 175.65 2wh1 n SER 24 N 4.70 1.74 -0.04 0.00 2.88 -0.72 -2.79 113.62 119.39 2wh1 n SER 24 Ca -0.17 -1.46 0.04 0.00 -1.33 0.00 0.00 58.87 55.95 2wh1 n SER 24 Cb 0.48 0.03 -0.16 0.00 -0.75 0.00 0.00 64.21 63.80 2wh1 n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2wh1 n TYR 25 N -0.61 0.00 0.94 0.66 4.02 -1.26 -4.24 117.16 116.67 2wh1 n TYR 25 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.98 2wh1 n TYR 25 Cb 0.14 -0.65 0.08 0.00 -0.02 0.00 0.00 39.34 38.90 2wh1 n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wh1 n ASN 26 N -2.40 2.74 0.00 7.72 3.02 -1.26 -4.65 115.26 120.43 2wh1 n ASN 26 Ca -0.13 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 2wh1 n ASN 26 Cb 0.75 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.99 2wh1 n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wh1 n ASN 27 N 1.08 0.00 -4.08 6.41 5.15 -1.26 -2.78 115.26 119.79 2wh1 n ASN 27 Ca 0.12 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.85 2wh1 n ASN 27 Cb 0.54 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.63 2wh1 n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wh1 s THR 28 N -2.00 1.27 0.17 -0.44 2.01 -1.25 -1.76 115.64 113.64 2wh1 s THR 28 Ca 0.00 -0.59 0.09 0.00 0.31 0.00 0.00 61.69 61.50 2wh1 s THR 28 Cb 0.00 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 2wh1 s THR 28 CO 0.00 0.38 -0.20 0.27 -0.69 0.00 0.00 174.62 174.38 2wh1 s ILE 29 N 0.36 1.93 -0.13 1.82 -5.25 -0.61 -2.64 121.20 116.69 2wh1 s ILE 29 Ca -0.10 -1.91 -0.01 0.00 -0.99 0.00 0.00 60.65 57.64 2wh1 s ILE 29 Cb -0.14 -1.88 0.04 0.00 2.95 0.00 0.00 42.46 43.43 2wh1 s ILE 29 CO 0.03 -0.24 -0.02 0.68 -1.79 0.00 0.00 174.94 173.60 2wh1 s VAL 30 N -1.87 0.72 -0.20 8.37 -7.23 0.14 -0.72 120.40 119.61 2wh1 s VAL 30 Ca 0.16 -0.30 0.01 0.00 -1.81 0.00 0.00 61.98 60.05 2wh1 s VAL 30 Cb -0.07 -0.93 0.03 0.00 0.56 0.00 0.00 36.38 35.97 2wh1 s VAL 30 CO 0.07 0.15 -0.17 0.28 -0.31 0.00 0.00 175.10 175.12 2wh1 s THR 31 N 1.81 2.12 -0.22 5.32 -1.32 -0.66 0.34 115.64 123.02 2wh1 s THR 31 Ca 0.03 -1.12 -0.13 0.00 -1.21 0.00 0.00 61.69 59.26 2wh1 s THR 31 Cb -0.14 -1.99 -0.05 0.00 -1.51 0.00 0.00 72.50 68.82 2wh1 s THR 31 CO -0.07 0.39 0.26 -0.63 -2.21 0.00 0.00 174.62 172.35 2wh1 s ILE 32 N 1.24 5.30 0.10 5.08 1.01 0.04 -1.58 121.20 132.39 2wh1 s ILE 32 Ca 0.01 0.41 0.07 0.00 0.00 0.00 0.00 60.65 61.14 2wh1 s ILE 32 Cb -0.15 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2wh1 s ILE 32 CO -0.11 0.32 -0.18 0.42 0.00 0.00 0.00 174.94 175.40 2wh1 s THR 33 N 1.06 1.50 1.24 2.92 -4.23 0.22 0.02 115.64 118.37 2wh1 s THR 33 Ca 0.13 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 58.93 2wh1 s THR 33 Cb -0.14 -1.45 0.29 0.00 1.34 0.00 0.00 72.50 72.54 2wh1 s THR 33 CO 0.05 -0.19 0.81 -0.90 -0.54 0.00 0.00 174.62 173.85 2wh1 n ASP 34 N 0.97 -2.43 0.00 3.99 5.75 -1.01 -0.92 116.55 122.89 2wh1 n ASP 34 Ca -0.19 -0.33 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 2wh1 n ASP 34 Cb 0.55 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 2wh1 n ASP 34 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2wh1 n PRO 35 N -4.65 0.00 -0.05 0.11 -0.02 -1.26 0.01 135.00 129.15 2wh1 n PRO 35 Ca 0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.48 2wh1 n PRO 35 Cb 0.56 -1.15 -0.09 0.00 -0.02 0.00 0.00 33.50 32.80 2wh1 n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wh1 n ASP 36 N -0.62 2.15 0.00 2.55 10.43 -1.26 -5.01 116.55 124.79 2wh1 n ASP 36 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2wh1 n ASP 36 Cb 0.00 0.94 0.00 0.00 1.84 0.00 0.00 41.12 43.90 2wh1 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wh1 n GLY 37 N 2.19 0.79 3.61 0.44 0.00 0.10 -5.07 105.19 107.26 2wh1 n GLY 37 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2wh1 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wh1 s ASN 38 N -1.45 6.52 -0.38 1.61 0.01 -1.26 -4.74 114.94 115.25 2wh1 s ASN 38 Ca 0.00 0.81 -0.41 0.00 -0.71 0.00 0.00 52.86 52.55 2wh1 s ASN 38 Cb 0.00 -2.54 -0.16 0.00 0.41 0.00 0.00 41.25 38.95 2wh1 s ASN 38 CO 0.00 -1.28 1.88 -2.65 -1.51 0.00 0.00 177.10 173.54 2wh1 n PRO 39 N 7.79 0.71 -0.06 -0.60 -0.02 -1.26 -2.41 135.00 139.15 2wh1 n PRO 39 Ca 0.15 0.24 -0.06 0.00 -2.02 0.00 0.00 63.50 61.81 2wh1 n PRO 39 Cb 0.48 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 2wh1 n PRO 39 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2wh1 h ILE 40 N 5.88 0.56 -2.55 4.25 1.08 -0.75 -3.48 117.51 122.51 2wh1 h ILE 40 Ca -0.36 -1.45 -0.02 0.00 -0.39 0.00 0.00 64.86 62.65 2wh1 h ILE 40 Cb 1.35 1.08 -0.15 0.00 -3.07 0.00 0.00 36.82 36.03 2wh1 h ILE 40 CO 1.00 0.19 0.23 -0.89 -0.69 0.00 0.00 178.15 177.99 2wh1 s THR 41 N -1.86 0.00 0.07 -0.27 2.01 -1.10 -5.05 115.64 109.44 2wh1 s THR 41 Ca -0.09 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.92 2wh1 s THR 41 Cb -0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.50 2wh1 s THR 41 CO 0.25 0.00 0.02 -2.67 -0.69 0.00 0.00 174.62 171.53 2wh1 n TRP 42 N 0.13 0.03 -3.63 4.92 4.27 -1.26 -0.78 117.44 121.12 2wh1 n TRP 42 Ca -0.17 -0.43 0.01 0.00 -3.89 0.00 0.00 57.50 53.02 2wh1 n TRP 42 Cb 0.62 -0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.56 2wh1 n TRP 42 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2wh1 s SER 43 N -1.42 -0.07 0.26 -0.67 0.15 0.15 -4.73 113.70 107.37 2wh1 s SER 43 Ca 0.03 -0.14 -0.21 0.00 0.70 0.00 0.00 55.95 56.33 2wh1 s SER 43 Cb 0.00 0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 2wh1 s SER 43 CO 0.02 -0.34 0.88 -0.94 1.20 0.00 0.00 173.24 174.06 2wh1 s SER 44 N -2.91 -0.10 0.45 5.45 1.04 -1.26 0.24 113.70 116.62 2wh1 s SER 44 Ca 0.14 -0.74 0.15 0.00 0.48 0.00 0.00 55.95 55.98 2wh1 s SER 44 Cb 0.04 0.65 1.04 0.00 0.10 0.00 0.00 66.02 67.85 2wh1 s SER 44 CO -0.04 -1.26 2.00 1.23 0.98 0.00 0.00 173.24 176.16 2wh1 h GLY 45 N 2.00 0.00 1.87 7.32 0.00 -1.71 -0.75 103.07 111.80 2wh1 h GLY 45 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 2wh1 h GLY 45 CO 0.32 0.00 -0.87 -1.33 0.00 0.00 0.00 176.54 174.66 2wh1 h GLY 46 N 0.53 0.13 0.20 4.60 0.00 -1.77 -2.70 103.07 104.06 2wh1 h GLY 46 Ca -0.00 -0.24 0.16 0.00 0.00 0.00 0.00 47.33 47.25 2wh1 h GLY 46 CO 0.02 0.21 0.47 -2.08 0.00 0.00 0.00 176.54 175.16 2wh1 h VAL 47 N 0.06 0.72 -0.71 4.60 2.07 -1.39 -3.39 116.25 118.21 2wh1 h VAL 47 Ca -0.03 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2wh1 h VAL 47 Cb 1.50 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2wh1 h VAL 47 CO 0.12 0.12 0.00 -0.38 0.02 0.00 0.00 177.57 177.45 2wh1 n ILE 48 N -4.86 0.00 1.42 4.57 2.08 -1.13 -4.91 119.36 116.53 2wh1 n ILE 48 Ca 0.18 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.58 2wh1 n ILE 48 Cb 0.46 -1.41 0.33 0.00 -0.75 0.00 0.00 39.64 38.28 2wh1 n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wh1 n GLY 49 N 4.57 -0.07 3.63 7.39 0.00 -1.26 -4.87 105.19 114.58 2wh1 n GLY 49 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2wh1 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wh1 s TYR 50 N -1.81 3.29 0.02 1.61 4.12 -1.03 -5.03 117.35 118.52 2wh1 s TYR 50 Ca 0.26 0.82 0.02 0.00 0.02 0.00 0.00 57.07 58.18 2wh1 s TYR 50 Cb 0.14 -2.83 -0.01 0.00 -1.52 0.00 0.00 41.96 37.73 2wh1 s TYR 50 CO 0.20 -0.31 -0.06 -1.59 0.02 0.00 0.00 175.55 173.82 2wh1 s LYS 51 N 2.43 0.43 0.00 -0.62 0.00 -1.26 -2.62 119.74 118.10 2wh1 s LYS 51 Ca 0.26 -0.47 0.00 0.00 0.00 0.00 0.00 55.97 55.76 2wh1 s LYS 51 Cb -0.16 -0.27 0.00 0.00 0.00 0.00 0.00 37.83 37.40 2wh1 s LYS 51 CO 0.09 0.06 0.00 0.41 0.00 0.00 0.00 175.35 175.91 2wh1 n GLY 52 N 2.16 0.80 0.12 0.59 0.00 -1.26 -4.32 105.19 103.27 2wh1 n GLY 52 Ca -0.18 -1.51 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 2wh1 n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wh1 h SER 53 N 0.00 0.55 0.34 1.61 4.64 -1.98 -3.14 113.55 115.58 2wh1 h SER 53 Ca 0.00 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2wh1 h SER 53 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2wh1 h SER 53 CO 0.00 1.45 0.00 0.03 -0.87 0.00 0.00 176.83 177.44 2wh1 h ARG 54 N 0.10 0.00 -0.25 4.77 3.08 -1.90 -1.74 114.38 118.44 2wh1 h ARG 54 Ca -0.17 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.92 2wh1 h ARG 54 Cb 2.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.05 2wh1 h ARG 54 CO 0.22 0.00 0.17 -0.22 -1.07 0.00 0.00 179.97 179.08 2wh1 h LYS 55 N 0.00 0.16 -0.73 0.04 3.64 -1.74 -1.27 116.57 116.67 2wh1 h LYS 55 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wh1 h LYS 55 Cb 0.17 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2wh1 h LYS 55 CO 0.00 0.11 0.00 0.41 -2.27 0.00 0.00 179.45 177.70 2wh1 n GLY 56 N -1.54 2.54 3.72 5.01 0.00 -0.65 -3.77 105.19 110.50 2wh1 n GLY 56 Ca 0.02 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 2wh1 n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wh1 n THR 57 N 1.59 4.58 0.00 2.61 -1.04 -0.48 -3.70 114.28 117.84 2wh1 n THR 57 Ca 0.25 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.05 61.68 2wh1 n THR 57 Cb 0.65 -1.45 0.03 0.00 -1.82 0.00 0.00 70.33 67.74 2wh1 n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2wh1 h PRO 58 N 0.34 0.59 0.00 -2.82 0.13 -1.89 -2.12 132.00 126.22 2wh1 h PRO 58 Ca -0.50 -0.40 -0.02 0.00 -0.87 0.00 0.00 66.00 64.20 2wh1 h PRO 58 Cb 1.34 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 2wh1 h PRO 58 CO 0.52 1.02 -0.11 -0.92 -0.23 0.00 0.00 178.00 178.28 2wh1 h TYR 59 N 0.44 0.00 -0.06 1.56 3.20 -1.95 -1.33 116.97 118.83 2wh1 h TYR 59 Ca -0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2wh1 h TYR 59 Cb 1.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.45 2wh1 h TYR 59 CO 0.05 0.11 -0.13 0.00 -1.64 0.00 0.00 178.16 176.55 2wh1 h ALA 60 N 1.89 0.09 -0.66 1.82 0.00 -1.75 -1.00 119.26 119.66 2wh1 h ALA 60 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wh1 h ALA 60 Cb 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2wh1 h ALA 60 CO 0.01 -0.02 0.43 0.00 0.00 0.00 0.00 179.25 179.68 2wh1 h ALA 61 N 0.46 0.84 0.45 0.00 0.00 -0.90 0.77 119.26 120.89 2wh1 h ALA 61 Ca -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2wh1 h ALA 61 Cb 0.72 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wh1 h ALA 61 CO 0.03 0.28 -0.27 0.37 0.00 0.00 0.00 179.25 179.66 2wh1 h GLN 62 N 0.90 -0.65 -0.11 0.00 4.15 -1.28 0.52 115.11 118.64 2wh1 h GLN 62 Ca 0.24 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.74 2wh1 h GLN 62 Cb -0.09 0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 2wh1 h GLN 62 CO -0.05 -0.43 0.44 1.25 -1.93 0.00 0.00 178.83 178.10 2wh1 h LEU 63 N -0.67 0.00 0.00 -2.39 6.46 -0.85 -2.14 115.31 115.72 2wh1 h LEU 63 Ca -0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 2wh1 h LEU 63 Cb 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 2wh1 h LEU 63 CO 0.07 0.00 -0.19 0.00 -0.62 0.00 0.00 178.44 177.70 2wh1 h ALA 64 N 1.24 0.00 -0.98 1.25 0.00 0.15 -3.22 119.26 117.69 2wh1 h ALA 64 Ca 0.05 -0.21 0.29 0.00 0.00 0.00 0.00 54.91 55.04 2wh1 h ALA 64 Cb 0.92 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2wh1 h ALA 64 CO -0.00 0.19 0.86 0.00 0.00 0.00 0.00 179.25 180.30 2wh1 h ALA 65 N -1.15 2.85 -0.10 0.00 0.00 0.53 0.48 119.26 121.87 2wh1 h ALA 65 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2wh1 h ALA 65 Cb 0.19 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wh1 h ALA 65 CO 0.00 -1.36 -0.55 -0.07 0.00 0.00 0.00 179.25 177.26 2wh1 h LEU 66 N 0.00 0.66 -0.08 0.00 3.38 -1.54 -1.60 115.31 116.12 2wh1 h LEU 66 Ca 0.47 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2wh1 h LEU 66 Cb 2.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 2wh1 h LEU 66 CO -0.00 1.20 0.04 -0.78 0.09 0.00 0.00 178.44 178.99 2wh1 h ASP 67 N 0.16 0.07 -0.77 -0.43 -0.00 -0.10 -1.42 116.42 113.92 2wh1 h ASP 67 Ca -0.04 0.00 0.05 0.00 -0.00 0.00 0.00 57.03 57.04 2wh1 h ASP 67 Cb 1.20 -0.01 -0.05 0.00 -0.00 0.00 0.00 39.33 40.47 2wh1 h ASP 67 CO 0.11 0.05 0.51 0.00 -0.00 0.00 0.00 179.24 179.92 2wh1 h ALA 68 N 1.04 1.59 0.87 -0.78 0.00 -1.28 -2.62 119.26 118.09 2wh1 h ALA 68 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2wh1 h ALA 68 Cb -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2wh1 h ALA 68 CO -0.02 0.31 -0.42 0.00 0.00 0.00 0.00 179.25 179.12 2wh1 h ALA 69 N 1.57 -1.17 -0.50 0.00 0.00 -0.50 -2.72 119.26 115.93 2wh1 h ALA 69 Ca 0.32 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.07 2wh1 h ALA 69 Cb 0.14 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 2wh1 h ALA 69 CO -0.10 -1.15 -0.14 -0.22 0.00 0.00 0.00 179.25 177.65 2wh1 h LYS 70 N -1.20 -0.01 -0.49 0.00 3.64 -1.06 0.42 116.57 117.87 2wh1 h LYS 70 Ca -0.12 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.40 2wh1 h LYS 70 Cb 0.90 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2wh1 h LYS 70 CO 0.20 -0.01 0.35 0.87 -2.27 0.00 0.00 179.45 178.59 2wh1 h LYS 71 N -0.01 0.02 0.00 1.90 1.57 -1.47 0.40 116.57 118.98 2wh1 h LYS 71 Ca 0.24 -0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.85 2wh1 h LYS 71 Cb 0.38 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2wh1 h LYS 71 CO -0.53 0.01 -0.81 0.00 -0.57 0.00 0.00 179.45 177.56 2wh1 h ALA 72 N 1.76 0.49 0.70 3.86 0.00 0.05 -3.27 119.26 122.86 2wh1 h ALA 72 Ca 0.23 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2wh1 h ALA 72 Cb 0.90 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2wh1 h ALA 72 CO -0.01 1.01 -0.34 0.52 0.00 0.00 0.00 179.25 180.44 2wh1 h MET 73 N 0.00 -0.91 -0.06 0.00 2.86 0.20 0.17 114.93 117.19 2wh1 h MET 73 Ca -0.01 0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2wh1 h MET 73 Cb 1.60 0.21 -0.00 0.00 0.06 0.00 0.00 31.60 33.46 2wh1 h MET 73 CO 0.11 -0.58 0.49 0.00 1.06 0.00 0.00 176.91 177.98 2wh1 h ALA 74 N -0.86 1.56 -0.00 6.32 0.00 -1.42 2.03 119.26 126.89 2wh1 h ALA 74 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wh1 h ALA 74 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wh1 h ALA 74 CO 0.16 -0.52 -0.48 0.66 0.00 0.00 0.00 179.25 179.07 2wh1 n TYR 75 N -2.89 0.00 -0.17 0.00 4.02 -0.84 -4.94 117.16 112.35 2wh1 n TYR 75 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wh1 n TYR 75 Cb 0.54 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 2wh1 n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh1 n GLY 76 N 1.47 0.90 3.70 2.72 0.00 0.69 -3.47 105.19 111.20 2wh1 n GLY 76 Ca 0.07 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2wh1 n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wh1 s MET 77 N -0.41 4.29 0.00 1.61 0.00 0.54 -3.16 119.30 122.17 2wh1 s MET 77 Ca 0.00 2.10 0.00 0.00 0.00 0.00 0.00 55.69 57.79 2wh1 s MET 77 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 34.83 31.45 2wh1 s MET 77 CO 0.00 -0.53 0.00 1.04 0.00 0.00 0.00 175.02 175.53 2wh1 n GLN 78 N 4.58 0.00 -3.61 4.11 1.13 -0.31 -4.57 117.38 118.71 2wh1 n GLN 78 Ca 0.13 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.82 2wh1 n GLN 78 Cb 0.42 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.69 2wh1 n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2wh1 s SER 79 N -0.91 6.23 0.08 1.08 1.04 -1.18 -2.07 113.70 117.97 2wh1 s SER 79 Ca 0.00 0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.70 2wh1 s SER 79 Cb 0.00 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.94 2wh1 s SER 79 CO 0.00 0.06 -0.05 0.68 0.98 0.00 0.00 173.24 174.91 2wh1 s VAL 80 N 0.90 0.50 0.00 5.02 -7.23 -1.01 -2.21 120.40 116.38 2wh1 s VAL 80 Ca 0.11 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2wh1 s VAL 80 Cb -0.13 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.19 2wh1 s VAL 80 CO 0.04 -0.92 0.00 0.47 -0.31 0.00 0.00 175.10 174.37 2wh1 n ASP 81 N 0.02 0.00 -3.60 4.85 9.92 -1.25 -0.06 116.55 126.43 2wh1 n ASP 81 Ca -0.13 -0.43 -0.16 0.00 -0.53 0.00 0.00 54.79 53.54 2wh1 n ASP 81 Cb 0.61 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.02 2wh1 n ASP 81 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wh1 s VAL 82 N 1.45 0.01 -0.27 2.53 1.01 -1.19 -3.06 120.40 120.88 2wh1 s VAL 82 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2wh1 s VAL 82 Cb 0.00 -0.90 0.12 0.00 0.00 0.00 0.00 36.38 35.60 2wh1 s VAL 82 CO 0.00 -0.04 0.26 -0.63 0.00 0.00 0.00 175.10 174.69 2wh1 s ILE 83 N -0.79 -0.35 0.29 2.22 1.01 -0.77 -1.80 121.20 121.01 2wh1 s ILE 83 Ca -0.08 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 2wh1 s ILE 83 Cb -0.02 -0.93 -0.09 0.00 0.01 0.00 0.00 42.46 41.43 2wh1 s ILE 83 CO 0.06 -0.45 0.72 0.68 0.00 0.00 0.00 174.94 175.95 2wh1 s VAL 84 N 2.33 4.68 -0.04 2.92 -7.23 0.36 -1.84 120.40 121.58 2wh1 s VAL 84 Ca 0.09 0.98 -0.02 0.00 -1.81 0.00 0.00 61.98 61.22 2wh1 s VAL 84 Cb -0.15 -3.66 0.03 0.00 0.56 0.00 0.00 36.38 33.17 2wh1 s VAL 84 CO -0.30 -0.10 0.05 -0.13 -0.31 0.00 0.00 175.10 174.32 2wh1 s ARG 85 N -2.77 0.02 0.49 4.82 0.52 0.11 -0.70 118.95 121.44 2wh1 s ARG 85 Ca 0.51 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 2wh1 s ARG 85 Cb -0.12 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.79 2wh1 s ARG 85 CO 0.18 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.60 2wh1 n GLY 86 N 5.21 -0.59 3.00 -3.53 0.00 -1.26 0.25 105.19 108.28 2wh1 n GLY 86 Ca -0.05 -1.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 2wh1 n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wh1 n THR 87 N 0.00 0.00 0.00 2.61 -1.04 -1.12 -4.87 114.28 109.86 2wh1 n THR 87 Ca 0.00 -2.27 0.00 0.00 -2.04 0.00 0.00 64.05 59.74 2wh1 n THR 87 Cb 0.00 1.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.62 2wh1 n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wh1 n GLY 88 N -0.59 4.05 0.00 3.41 0.00 -1.26 -3.03 105.19 107.76 2wh1 n GLY 88 Ca 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2wh1 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh1 n ALA 89 N -1.45 0.00 -1.86 4.61 0.00 -1.26 -2.90 120.51 117.65 2wh1 n ALA 89 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2wh1 n ALA 89 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 2wh1 n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wh1 s GLY 90 N 0.00 -0.07 0.17 0.00 0.00 -1.24 -4.30 107.32 101.88 2wh1 s GLY 90 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2wh1 s GLY 90 CO 0.00 3.70 0.00 -2.13 0.00 0.00 0.00 173.10 174.67 2wh1 n ARG 91 N 9.07 0.00 0.05 2.90 0.00 -1.14 -4.74 116.66 122.79 2wh1 n ARG 91 Ca 0.30 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 58.10 2wh1 n ARG 91 Cb 0.52 -0.01 -0.09 0.00 0.00 0.00 0.00 32.46 32.87 2wh1 n ARG 91 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2wh1 h GLU 92 N 0.00 0.00 0.00 -0.14 4.57 -1.85 -2.99 114.58 114.17 2wh1 h GLU 92 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2wh1 h GLU 92 Cb 0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2wh1 h GLU 92 CO 0.00 0.63 -0.04 1.96 -1.18 0.00 0.00 179.01 180.38 2wh1 h GLN 93 N 0.00 0.00 0.17 1.92 1.08 -1.88 0.59 115.11 116.99 2wh1 h GLN 93 Ca -0.12 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2wh1 h GLN 93 Cb 1.74 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.17 2wh1 h GLN 93 CO 0.09 0.04 -0.08 0.00 -0.95 0.00 0.00 178.83 177.93 2wh1 h ALA 94 N 1.96 -0.23 0.08 3.87 0.00 -1.79 -2.14 119.26 121.01 2wh1 h ALA 94 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2wh1 h ALA 94 Cb 0.14 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2wh1 h ALA 94 CO 0.01 -0.25 -0.22 0.82 0.00 0.00 0.00 179.25 179.61 2wh1 h ILE 95 N -0.99 0.50 -0.18 0.00 1.08 -1.24 -1.31 117.51 115.36 2wh1 h ILE 95 Ca -0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.50 2wh1 h ILE 95 Cb 0.41 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 2wh1 h ILE 95 CO 0.04 0.00 0.18 0.03 -0.69 0.00 0.00 178.15 177.71 2wh1 h ARG 96 N -0.40 0.00 -0.10 2.37 3.08 0.04 -1.21 114.38 118.16 2wh1 h ARG 96 Ca 0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 2wh1 h ARG 96 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.49 2wh1 h ARG 96 CO -0.15 0.00 -0.54 0.00 -1.07 0.00 0.00 179.97 178.21 2wh1 h ALA 97 N 1.81 0.20 0.00 0.04 0.00 -0.56 -3.08 119.26 117.68 2wh1 h ALA 97 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2wh1 h ALA 97 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2wh1 h ALA 97 CO -0.00 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2wh1 n LEU 98 N -4.20 0.00 0.00 0.00 4.77 -0.47 -3.07 117.00 114.03 2wh1 n LEU 98 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2wh1 n LEU 98 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2wh1 n LEU 98 CO 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.53 2wh1 n GLN 99 N -0.97 0.00 -0.28 3.23 1.13 -1.12 -4.05 117.38 115.32 2wh1 n GLN 99 Ca 0.12 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.62 2wh1 n GLN 99 Cb 0.05 -0.94 0.00 0.00 0.11 0.00 0.00 30.24 29.46 2wh1 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wh1 n ALA 100 N -2.01 3.00 -0.10 -1.58 0.00 -1.17 -3.51 120.51 115.13 2wh1 n ALA 100 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2wh1 n ALA 100 Cb 0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.02 2wh1 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wh1 n SER 101 N 1.52 0.72 0.00 0.00 3.41 -1.21 -5.00 113.62 113.06 2wh1 n SER 101 Ca 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2wh1 n SER 101 Cb 0.33 0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 2wh1 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh1 n GLY 102 N 1.94 0.92 3.47 5.00 0.00 -1.23 -4.96 105.19 110.34 2wh1 n GLY 102 Ca -0.34 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 2wh1 n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh1 s LEU 103 N 0.00 3.23 -0.20 0.99 2.01 -1.26 -4.92 118.68 118.52 2wh1 s LEU 103 Ca 0.00 -0.17 -0.29 0.00 0.01 0.00 0.00 54.13 53.68 2wh1 s LEU 103 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 2wh1 s LEU 103 CO 0.00 0.12 1.82 -1.58 1.01 0.00 0.00 176.35 177.73 2wh1 s GLN 104 N 0.64 3.62 -1.01 1.70 0.74 -0.88 -4.81 119.66 119.66 2wh1 s GLN 104 Ca -0.02 1.83 -0.23 0.00 0.05 0.00 0.00 55.36 56.99 2wh1 s GLN 104 Cb -0.14 -4.15 -0.13 0.00 1.10 0.00 0.00 33.01 29.69 2wh1 s GLN 104 CO 0.02 -1.52 1.92 0.28 -0.55 0.00 0.00 175.29 175.45 2wh1 n VAL 105 N 6.75 1.74 0.29 1.34 0.31 -1.26 -2.41 118.33 125.08 2wh1 n VAL 105 Ca 0.22 -1.72 0.11 0.00 -0.01 0.00 0.00 64.34 62.95 2wh1 n VAL 105 Cb 0.45 -2.20 0.54 0.00 -0.91 0.00 0.00 33.84 31.71 2wh1 n VAL 105 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2wh1 h LYS 106 N 9.23 0.00 -2.12 5.55 1.57 -0.79 -3.44 116.57 126.57 2wh1 h LYS 106 Ca 0.27 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.37 2wh1 h LYS 106 Cb 0.85 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.09 2wh1 h LYS 106 CO 1.48 0.00 0.86 0.45 -0.57 0.00 0.00 179.45 181.66 2wh1 s SER 107 N -3.99 0.00 -0.25 0.86 0.15 -1.24 -4.92 113.70 104.30 2wh1 s SER 107 Ca -0.02 -0.26 -0.15 0.00 0.70 0.00 0.00 55.95 56.22 2wh1 s SER 107 Cb 0.07 0.19 0.07 0.00 -1.71 0.00 0.00 66.02 64.64 2wh1 s SER 107 CO 0.22 -0.38 0.62 -0.63 1.20 0.00 0.00 173.24 174.27 2wh1 s ILE 108 N -2.07 -0.01 -0.06 6.45 1.01 -1.26 -3.20 121.20 122.07 2wh1 s ILE 108 Ca 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 2wh1 s ILE 108 Cb -0.00 -0.90 0.04 0.00 0.01 0.00 0.00 42.46 41.60 2wh1 s ILE 108 CO -0.00 0.01 0.11 -0.69 0.00 0.00 0.00 174.94 174.37 2wh1 s VAL 109 N 1.52 -0.10 -0.80 2.92 1.01 -0.75 -4.95 120.40 119.25 2wh1 s VAL 109 Ca -0.09 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 2wh1 s VAL 109 Cb -0.06 -0.21 0.09 0.00 0.00 0.00 0.00 36.38 36.21 2wh1 s VAL 109 CO -0.17 0.10 1.08 -0.62 0.00 0.00 0.00 175.10 175.49 2wh1 s ASP 110 N 1.48 6.39 -0.33 3.32 2.15 -1.26 -0.48 116.67 127.94 2wh1 s ASP 110 Ca -0.05 -1.46 -0.11 0.00 0.43 0.00 0.00 52.55 51.36 2wh1 s ASP 110 Cb -0.12 -2.43 -0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2wh1 s ASP 110 CO -0.05 -1.30 0.18 -0.62 -0.17 0.00 0.00 175.17 173.22 2wh1 s ASP 111 N 3.78 5.72 -0.04 -0.34 3.68 0.12 -4.96 116.67 124.63 2wh1 s ASP 111 Ca 0.29 -0.56 -0.04 0.00 2.13 0.00 0.00 52.55 54.36 2wh1 s ASP 111 Cb -0.10 -2.04 0.01 0.00 -1.45 0.00 0.00 42.92 39.33 2wh1 s ASP 111 CO 0.00 -0.23 0.12 -0.89 0.13 0.00 0.00 175.17 174.30 2wh1 s THR 112 N 1.64 0.01 0.02 1.71 2.01 -1.26 -3.88 115.64 115.88 2wh1 s THR 112 Ca 0.05 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.67 2wh1 s THR 112 Cb -0.17 -0.20 -0.08 0.00 0.01 0.00 0.00 72.50 72.05 2wh1 s THR 112 CO 0.07 -0.04 1.96 -2.16 -0.69 0.00 0.00 174.62 173.77 2wh1 s PRO 113 N -0.08 4.09 -0.80 4.92 0.04 -1.26 -4.95 135.00 136.96 2wh1 s PRO 113 Ca -0.01 2.56 0.02 0.00 0.04 0.00 0.00 61.00 63.61 2wh1 s PRO 113 Cb -0.02 -4.16 0.25 0.00 0.04 0.00 0.00 34.50 30.61 2wh1 s PRO 113 CO 0.00 -1.01 0.91 1.55 0.04 0.00 0.00 177.00 178.50 2wh1 n VAL 114 N 5.66 3.14 -1.68 -0.36 3.14 -1.26 -5.06 118.33 121.91 2wh1 n VAL 114 Ca 0.20 -5.35 -0.49 0.00 -2.96 0.00 0.00 64.34 55.74 2wh1 n VAL 114 Cb 0.41 -2.15 -0.05 0.00 -1.06 0.00 0.00 33.84 30.99 2wh1 n VAL 114 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2wh1 n PRO 115 N 1.31 2.00 -0.37 1.45 -0.04 -1.26 -4.78 135.00 133.32 2wh1 n PRO 115 Ca 0.27 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2wh1 n PRO 115 Cb 0.38 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 2wh1 n PRO 115 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wh1 n HIS 116 N 5.40 0.00 -1.70 0.54 8.25 -1.26 -4.66 115.22 121.79 2wh1 n HIS 116 Ca 0.21 -0.76 -0.01 0.00 -0.26 0.00 0.00 57.72 56.91 2wh1 n HIS 116 Cb 0.27 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 2wh1 n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wh1 n ASN 117 N 1.55 -2.26 0.00 0.41 5.03 -1.26 -5.11 115.26 113.61 2wh1 n ASN 117 Ca 0.00 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.69 2wh1 n ASN 117 Cb 0.39 -1.75 0.00 0.00 -1.02 0.00 0.00 39.78 37.40 2wh1 n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wh1 n GLY 118 N 0.23 0.19 3.40 7.41 0.00 -1.26 -5.05 105.19 110.09 2wh1 n GLY 118 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 2wh1 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh1 n ARG 120 N 4.95 1.22 -0.63 0.00 1.85 -1.26 -4.88 116.66 117.91 2wh1 n ARG 120 Ca -0.14 0.39 -0.26 0.00 -1.00 0.00 0.00 57.85 56.84 2wh1 n ARG 120 Cb 0.48 -2.37 0.15 0.00 -1.05 0.00 0.00 32.46 29.67 2wh1 n ARG 120 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2wh1 n PRO 121 N 7.27 -1.81 -1.99 2.89 -0.02 -1.26 -4.95 135.00 135.13 2wh1 n PRO 121 Ca 0.35 -0.53 -0.35 0.00 -2.02 0.00 0.00 63.50 60.96 2wh1 n PRO 121 Cb 0.21 -1.52 0.03 0.00 -0.02 0.00 0.00 33.50 32.19 2wh1 n PRO 121 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wh1 s LYS 122 N -3.33 2.99 0.51 -0.52 1.02 -1.26 -4.51 119.74 114.64 2wh1 s LYS 122 Ca 0.45 1.66 0.34 0.00 0.02 0.00 0.00 55.97 58.43 2wh1 s LYS 122 Cb -0.07 -1.95 1.48 0.00 -0.52 0.00 0.00 37.83 36.77 2wh1 s LYS 122 CO 0.50 -1.15 1.78 -0.22 -0.92 0.00 0.00 175.35 175.34 2wh1 h LYS 123 N 0.71 0.07 -0.27 1.68 3.64 -1.98 0.37 116.57 120.79 2wh1 h LYS 123 Ca -0.49 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.94 2wh1 h LYS 123 Cb 1.27 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2wh1 h LYS 123 CO 0.55 0.05 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.47 2wh1 h LYS 124 N 0.07 -0.03 0.02 1.90 3.64 -2.03 -3.03 116.57 117.12 2wh1 h LYS 124 Ca 0.60 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.71 2wh1 h LYS 124 Cb 2.21 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 34.00 2wh1 h LYS 124 CO -0.08 -0.02 -1.51 0.74 -2.27 0.00 0.00 179.45 176.32 2wh1 h PHE 125 N -0.03 0.07 -0.86 1.91 -1.00 -0.82 -3.36 116.94 112.85 2wh1 h PHE 125 Ca 0.14 -0.05 0.22 0.00 2.81 0.00 0.00 57.97 61.08 2wh1 h PHE 125 Cb 0.23 -0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.66 2wh1 h PHE 125 CO -0.28 1.07 0.29 0.00 -1.61 0.00 0.00 178.31 177.78 2wh1 h ARG 126 N 0.01 0.29 -0.22 1.51 3.08 -0.35 -2.57 114.38 116.12 2wh1 h ARG 126 Ca -0.21 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.85 2wh1 h ARG 126 Cb 1.95 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.90 2wh1 h ARG 126 CO 0.10 0.19 -0.12 1.63 -1.07 0.00 0.00 179.97 180.71 2wh1 n LYS 127 N -5.14 -0.08 -0.93 0.04 4.76 -1.17 -0.56 118.16 115.07 2wh1 n LYS 127 Ca 0.20 0.34 -0.30 0.00 -2.87 0.00 0.00 58.31 55.69 2wh1 n LYS 127 Cb 0.63 -0.50 -0.03 0.00 -1.84 0.00 0.00 35.03 33.30 2wh1 n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wh1 n ALA 128 N -3.85 4.59 0.36 7.82 0.00 -0.97 -5.19 120.51 123.26 2wh1 n ALA 128 Ca 0.01 -2.53 0.03 0.00 0.00 0.00 0.00 53.44 50.95 2wh1 n ALA 128 Cb 0.07 -3.22 0.17 0.00 0.00 0.00 0.00 19.45 16.47 2wh1 n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95