#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwa s HIS 0 N 0.00 0.83 0.28 -0.14 -3.43 -1.26 -5.04 115.29 106.53 1nwa s HIS 0 Ca 0.00 -1.12 -0.02 0.00 -0.80 0.00 0.00 55.06 53.12 1nwa s HIS 0 Cb 0.00 -0.29 0.43 0.00 -1.43 0.00 0.00 32.58 31.29 1nwa s HIS 0 CO 0.00 -0.73 1.91 1.98 -2.00 0.00 0.00 174.74 175.90 1nwa h MET 1 N 2.54 1.11 -0.61 -0.38 4.05 -2.07 -2.34 114.93 117.24 1nwa h MET 1 Ca -0.33 -0.07 -0.15 0.00 -0.28 0.00 0.00 59.70 58.87 1nwa h MET 1 Cb 1.24 -0.25 -0.09 0.00 -0.80 0.00 0.00 31.60 31.70 1nwa h MET 1 CO 0.48 0.74 0.17 0.25 0.23 0.00 0.00 176.91 178.78 1nwa n THR 2 N -4.46 2.78 -1.56 -0.77 -2.24 -1.26 -4.99 114.28 101.77 1nwa n THR 2 Ca 0.13 -1.77 -0.42 0.00 -2.27 0.00 0.00 64.05 59.73 1nwa n THR 2 Cb 0.14 -0.33 0.01 0.00 -2.10 0.00 0.00 70.33 68.05 1nwa n THR 2 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nwa n SER 3 N -0.23 0.67 -4.62 3.42 7.64 -0.88 -4.56 113.62 115.05 1nwa n SER 3 Ca 0.36 1.02 -0.42 0.00 1.01 0.00 0.00 58.87 60.84 1nwa n SER 3 Cb 1.26 -1.27 0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1nwa n SER 3 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nwa n ASN 4 N 0.82 1.48 -4.79 6.43 3.02 -1.26 -4.65 115.26 116.31 1nwa n ASN 4 Ca 0.10 1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 55.49 1nwa n ASN 4 Cb 0.38 -1.37 -0.05 0.00 -0.61 0.00 0.00 39.78 38.13 1nwa n ASN 4 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1nwa s GLN 5 N -1.98 2.46 0.03 3.52 -0.21 -0.13 -4.93 119.66 118.41 1nwa s GLN 5 Ca 0.62 -1.53 0.04 0.00 0.02 0.00 0.00 55.36 54.51 1nwa s GLN 5 Cb -0.57 -2.25 -0.02 0.00 1.00 0.00 0.00 33.01 31.17 1nwa s GLN 5 CO 0.57 0.02 -0.12 0.21 -2.12 0.00 0.00 175.29 173.86 1nwa s LYS 6 N -3.94 0.80 0.03 2.91 2.20 -1.26 -0.92 119.74 119.56 1nwa s LYS 6 Ca 0.41 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 1nwa s LYS 6 Cb -0.02 -0.76 -0.02 0.00 -1.51 0.00 0.00 37.83 35.51 1nwa s LYS 6 CO 0.24 0.19 -0.06 0.00 -0.36 0.00 0.00 175.35 175.36 1nwa s ALA 7 N -0.77 0.40 -0.16 3.13 0.00 -0.24 -4.82 121.76 119.31 1nwa s ALA 7 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1nwa s ALA 7 Cb -0.07 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1nwa s ALA 7 CO 0.01 -0.07 -0.15 0.42 0.00 0.00 0.00 175.76 175.96 1nwa s ILE 8 N -1.41 1.67 0.02 0.00 1.01 -1.25 -0.50 121.20 120.74 1nwa s ILE 8 Ca -0.12 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 59.89 1nwa s ILE 8 Cb -0.10 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1nwa s ILE 8 CO -0.00 0.47 -0.21 -0.76 0.00 0.00 0.00 174.94 174.44 1nwa s LEU 9 N 1.45 2.11 -0.07 2.97 1.43 -0.56 -1.45 118.68 124.56 1nwa s LEU 9 Ca 0.05 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1nwa s LEU 9 Cb -0.13 -1.01 0.01 0.00 0.03 0.00 0.00 46.19 45.10 1nwa s LEU 9 CO -0.11 0.20 -0.11 0.00 0.23 0.00 0.00 176.35 176.56 1nwa s ALA 10 N -0.65 1.23 -0.13 4.21 0.00 0.04 -0.26 121.76 126.20 1nwa s ALA 10 Ca 0.08 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.72 1nwa s ALA 10 Cb -0.08 -0.59 0.22 0.00 0.00 0.00 0.00 23.12 22.66 1nwa s ALA 10 CO 0.01 0.06 1.21 0.41 0.00 0.00 0.00 175.76 177.44 1nwa n GLY 11 N 3.93 1.16 0.00 0.00 0.00 -1.24 -0.73 105.19 108.31 1nwa n GLY 11 Ca -0.22 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1nwa n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwa n GLY 12 N -0.50 -0.11 3.73 -0.02 0.00 -1.16 -4.83 105.19 102.29 1nwa n GLY 12 Ca -0.19 -2.20 -0.63 0.00 0.00 0.00 0.00 46.02 43.01 1nwa n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwa h PHE 14 N 6.17 0.00 -0.18 0.00 -5.15 -1.93 -2.89 116.94 112.96 1nwa h PHE 14 Ca -0.45 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.32 1nwa h PHE 14 Cb 1.34 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.50 1nwa h PHE 14 CO 0.71 0.00 0.10 -1.49 -2.00 0.00 0.00 178.31 175.64 1nwa h TRP 15 N 0.00 0.20 -0.21 6.09 6.55 -1.87 -1.61 115.95 125.09 1nwa h TRP 15 Ca 0.00 0.01 -0.20 0.00 0.95 0.00 0.00 58.89 59.64 1nwa h TRP 15 Cb 0.51 -0.06 0.01 0.00 -0.86 0.00 0.00 29.16 28.75 1nwa h TRP 15 CO 0.00 0.12 -0.66 0.78 -1.05 0.00 0.00 178.44 177.63 1nwa h GLY 16 N 0.22 0.90 0.98 1.49 0.00 -1.80 -2.21 103.07 102.65 1nwa h GLY 16 Ca 0.07 -1.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.22 1nwa h GLY 16 CO -0.03 1.05 0.26 -2.00 0.00 0.00 0.00 176.54 175.81 1nwa h LEU 17 N 0.58 0.64 -0.41 3.11 5.85 -1.49 -2.47 115.31 121.12 1nwa h LEU 17 Ca -0.02 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1nwa h LEU 17 Cb 1.28 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1nwa h LEU 17 CO 0.14 0.57 0.15 -0.61 -0.34 0.00 0.00 178.44 178.35 1nwa h GLN 18 N 0.66 0.62 -0.35 1.25 4.15 -1.29 -2.09 115.11 118.06 1nwa h GLN 18 Ca 0.17 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1nwa h GLN 18 Cb 0.08 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1nwa h GLN 18 CO -0.02 0.60 0.12 0.22 -1.93 0.00 0.00 178.83 177.81 1nwa h ASP 19 N 0.52 0.44 0.20 -0.69 -0.00 -1.13 -0.87 116.42 114.88 1nwa h ASP 19 Ca 0.13 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.03 56.83 1nwa h ASP 19 Cb 0.22 -0.11 0.02 0.00 -0.00 0.00 0.00 39.33 39.46 1nwa h ASP 19 CO -0.01 0.42 -1.34 -0.07 -0.00 0.00 0.00 179.24 178.25 1nwa h LEU 20 N 0.49 0.66 -0.79 2.28 3.38 -1.41 -3.37 115.31 116.55 1nwa h LEU 20 Ca 0.12 -0.93 -0.12 0.00 0.09 0.00 0.00 57.88 57.04 1nwa h LEU 20 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nwa h LEU 20 CO -0.01 1.63 -0.44 0.40 0.09 0.00 0.00 178.44 180.11 1nwa h ILE 21 N -0.06 1.32 0.00 1.22 2.04 -1.17 -3.16 117.51 117.70 1nwa h ILE 21 Ca -0.25 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.00 1nwa h ILE 21 Cb 1.97 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1nwa h ILE 21 CO 0.20 0.49 -0.01 0.08 0.00 0.00 0.00 178.15 178.91 1nwa h ARG 22 N 0.30 0.00 -0.35 2.37 0.11 -1.32 -1.35 114.38 114.14 1nwa h ARG 22 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1nwa h ARG 22 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1nwa h ARG 22 CO 0.07 0.01 0.00 0.27 0.10 0.00 0.00 179.97 180.42 1nwa n ASN 23 N -3.72 3.21 -4.77 0.08 0.23 -1.19 -4.86 115.26 104.24 1nwa n ASN 23 Ca -0.03 -1.96 -0.38 0.00 -0.53 0.00 0.00 54.58 51.69 1nwa n ASN 23 Cb 0.09 -0.23 -0.02 0.00 -2.08 0.00 0.00 39.78 37.54 1nwa n ASN 23 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1nwa s GLN 24 N -1.55 4.01 0.27 -3.83 -1.52 -0.51 -4.95 119.66 111.59 1nwa s GLN 24 Ca 0.38 1.77 -0.30 0.00 -1.95 0.00 0.00 55.36 55.25 1nwa s GLN 24 Cb 0.22 -2.60 -0.13 0.00 -0.22 0.00 0.00 33.01 30.28 1nwa s GLN 24 CO 0.31 -0.33 1.38 -2.30 -0.25 0.00 0.00 175.29 174.09 1nwa n PRO 25 N -0.06 2.09 -0.37 2.91 -0.02 -1.26 -2.24 135.00 136.05 1nwa n PRO 25 Ca 0.05 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1nwa n PRO 25 Cb 0.47 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1nwa n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nwa n GLY 26 N 1.73 1.61 3.64 -1.23 0.00 -1.26 -4.48 105.19 105.20 1nwa n GLY 26 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1nwa n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nwa s VAL 27 N -3.13 4.65 -0.10 1.61 1.01 -0.95 -0.94 120.40 122.55 1nwa s VAL 27 Ca 0.00 1.77 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 1nwa s VAL 27 Cb 0.00 -4.30 -0.27 0.00 0.00 0.00 0.00 36.38 31.81 1nwa s VAL 27 CO 0.00 -0.28 0.56 0.58 0.00 0.00 0.00 175.10 175.96 1nwa h VAL 28 N 5.56 1.05 -2.64 2.92 2.07 -1.00 -3.48 116.25 120.73 1nwa h VAL 28 Ca -0.21 -2.40 -0.07 0.00 0.82 0.00 0.00 66.70 64.84 1nwa h VAL 28 Cb 1.07 2.73 -0.17 0.00 -1.52 0.00 0.00 31.29 33.39 1nwa h VAL 28 CO 0.97 0.70 0.02 -0.55 0.02 0.00 0.00 177.57 178.73 1nwa s SER 29 N -7.02 -0.44 0.04 0.57 0.15 -1.08 -5.01 113.70 100.92 1nwa s SER 29 Ca -0.20 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.73 1nwa s SER 29 Cb 0.04 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1nwa s SER 29 CO 0.76 -0.65 -0.03 0.42 1.20 0.00 0.00 173.24 174.95 1nwa s THR 30 N -1.97 0.19 0.01 6.45 -4.23 -1.26 -0.88 115.64 113.96 1nwa s THR 30 Ca -0.08 -1.59 -0.19 0.00 -1.18 0.00 0.00 61.69 58.65 1nwa s THR 30 Cb -0.01 -1.21 0.04 0.00 1.34 0.00 0.00 72.50 72.65 1nwa s THR 30 CO 0.02 -0.88 0.43 0.00 -0.54 0.00 0.00 174.62 173.65 1nwa s ARG 31 N -3.32 0.88 0.24 3.99 1.70 -0.76 -5.00 118.95 116.68 1nwa s ARG 31 Ca 0.01 -0.22 0.06 0.00 -0.47 0.00 0.00 55.73 55.12 1nwa s ARG 31 Cb 0.04 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.78 1nwa s ARG 31 CO -0.08 -0.28 0.22 0.14 -1.08 0.00 0.00 175.30 174.22 1nwa s VAL 32 N -1.97 4.62 0.00 4.99 -7.23 -1.26 -1.04 120.40 118.51 1nwa s VAL 32 Ca -0.08 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1nwa s VAL 32 Cb -0.02 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1nwa s VAL 32 CO 0.01 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1nwa n GLY 33 N -1.15 0.51 3.16 2.32 0.00 -0.45 -1.12 105.19 108.46 1nwa n GLY 33 Ca -0.08 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1nwa n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nwa s TYR 34 N -2.04 2.34 0.03 1.61 2.02 0.07 -0.89 117.35 120.49 1nwa s TYR 34 Ca 0.00 -1.01 -0.21 0.00 -0.37 0.00 0.00 57.07 55.47 1nwa s TYR 34 Cb 0.00 -1.60 0.05 0.00 -0.40 0.00 0.00 41.96 40.01 1nwa s TYR 34 CO 0.00 -0.44 0.49 0.45 -1.57 0.00 0.00 175.55 174.48 1nwa s SER 35 N 0.56 -0.40 0.00 2.29 0.15 -0.53 -1.17 113.70 114.60 1nwa s SER 35 Ca -0.15 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1nwa s SER 35 Cb -0.17 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1nwa s SER 35 CO 0.05 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.43 1nwa n GLY 36 N 0.56 0.66 0.00 9.45 0.00 -1.26 -0.76 105.19 113.83 1nwa n GLY 36 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1nwa n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwa n GLY 37 N -2.00 3.57 0.09 -0.02 0.00 -1.26 -4.74 105.19 100.83 1nwa n GLY 37 Ca 0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 1nwa n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwa n ASN 38 N 0.00 1.91 -4.83 1.61 0.23 -1.26 -4.84 115.26 108.09 1nwa n ASN 38 Ca 0.00 0.39 -0.33 0.00 -0.53 0.00 0.00 54.58 54.11 1nwa n ASN 38 Cb 0.00 -0.78 -0.07 0.00 -2.08 0.00 0.00 39.78 36.85 1nwa n ASN 38 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 1nwa s ILE 39 N -2.72 4.48 0.72 1.53 -4.36 -1.26 -5.05 121.20 114.54 1nwa s ILE 39 Ca -0.27 1.33 -0.11 0.00 -0.26 0.00 0.00 60.65 61.33 1nwa s ILE 39 Cb 0.05 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 40.12 1nwa s ILE 39 CO 0.40 -0.20 1.09 -2.16 0.24 0.00 0.00 174.94 174.31 1nwa s PRO 40 N -2.93 2.73 -1.40 0.37 0.04 -1.26 -4.35 135.00 128.20 1nwa s PRO 40 Ca 0.57 0.56 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1nwa s PRO 40 Cb -0.11 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1nwa s PRO 40 CO 0.16 -1.15 0.89 0.09 0.04 0.00 0.00 177.00 177.03 1nwa n ASN 41 N -3.10 -3.31 -4.77 6.66 3.02 -1.26 -4.90 115.26 107.60 1nwa n ASN 41 Ca 0.07 -0.76 -0.37 0.00 -0.03 0.00 0.00 54.58 53.48 1nwa n ASN 41 Cb 0.56 -4.15 -0.01 0.00 -0.61 0.00 0.00 39.78 35.57 1nwa n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nwa s ALA 42 N -3.46 3.04 0.31 5.41 0.00 -1.26 -5.01 121.76 120.79 1nwa s ALA 42 Ca 0.34 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1nwa s ALA 42 Cb -0.17 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1nwa s ALA 42 CO 0.81 -0.62 0.14 0.95 0.00 0.00 0.00 175.76 177.04 1nwa s THR 43 N -1.50 0.43 0.17 0.00 -4.23 -0.20 -4.82 115.64 105.49 1nwa s THR 43 Ca 0.61 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1nwa s THR 43 Cb -0.29 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.08 1nwa s THR 43 CO 0.36 0.00 1.76 0.22 -0.54 0.00 0.00 174.62 176.42 1nwa h TYR 44 N 2.19 0.32 0.00 3.99 3.20 -1.97 -2.50 116.97 122.21 1nwa h TYR 44 Ca -0.35 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.46 1nwa h TYR 44 Cb 1.25 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1nwa h TYR 44 CO 0.97 0.13 -0.38 -0.09 -1.64 0.00 0.00 178.16 177.15 1nwa h ARG 45 N 0.36 0.00 -2.14 1.82 2.43 -2.02 -3.41 114.38 111.42 1nwa h ARG 45 Ca 0.21 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.90 1nwa h ARG 45 Cb 0.19 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 29.40 1nwa h ARG 45 CO -0.20 0.38 -0.82 1.21 -1.51 0.00 0.00 179.97 179.03 1nwa s ASN 46 N -6.39 1.34 -0.03 -3.80 2.47 -0.95 -4.94 114.94 102.63 1nwa s ASN 46 Ca 0.01 -2.35 0.04 0.00 0.42 0.00 0.00 52.86 50.99 1nwa s ASN 46 Cb 0.10 0.10 0.06 0.00 -1.45 0.00 0.00 41.25 40.06 1nwa s ASN 46 CO 0.69 -0.21 0.89 0.00 -3.72 0.00 0.00 177.10 174.75 1nwa n HIS 47 N 3.47 0.00 0.00 0.43 1.44 -1.13 -1.04 115.22 118.39 1nwa n HIS 47 Ca 0.20 -0.31 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 1nwa n HIS 47 Cb 0.46 -0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.51 1nwa n HIS 47 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nwa n GLY 48 N -0.40 3.09 0.78 -1.39 0.00 -1.26 -1.00 105.19 105.01 1nwa n GLY 48 Ca 0.03 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1nwa n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nwa n THR 49 N 0.00 0.51 -2.01 2.61 -2.24 -1.26 -4.88 114.28 107.01 1nwa n THR 49 Ca 0.00 -0.55 -0.38 0.00 -2.27 0.00 0.00 64.05 60.85 1nwa n THR 49 Cb 0.00 0.34 0.02 0.00 -2.10 0.00 0.00 70.33 68.59 1nwa n THR 49 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nwa s HIS 50 N -1.49 2.56 0.25 4.78 3.76 -0.17 -4.09 115.29 120.88 1nwa s HIS 50 Ca 0.30 1.45 -0.17 0.00 -0.15 0.00 0.00 55.06 56.50 1nwa s HIS 50 Cb 0.16 -3.60 -0.08 0.00 1.11 0.00 0.00 32.58 30.17 1nwa s HIS 50 CO 0.22 -2.24 0.70 0.00 -0.85 0.00 0.00 174.74 172.56 1nwa s ALA 51 N -1.42 3.41 0.10 -1.40 0.00 0.06 -4.17 121.76 118.34 1nwa s ALA 51 Ca 0.68 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.39 1nwa s ALA 51 Cb -0.35 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 1nwa s ALA 51 CO 0.41 0.36 1.46 -1.21 0.00 0.00 0.00 175.76 176.78 1nwa s GLU 52 N -2.34 4.28 0.11 0.00 2.02 0.27 -1.45 118.70 121.58 1nwa s GLU 52 Ca 0.46 2.15 -0.05 0.00 0.02 0.00 0.00 54.97 57.55 1nwa s GLU 52 Cb -0.14 -3.32 -0.02 0.00 0.10 0.00 0.00 34.13 30.75 1nwa s GLU 52 CO 0.20 -0.53 0.14 0.00 0.02 0.00 0.00 175.26 175.08 1nwa s ALA 53 N 1.48 0.24 -0.12 5.21 0.00 -0.06 -4.21 121.76 124.29 1nwa s ALA 53 Ca 0.67 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1nwa s ALA 53 Cb -0.38 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1nwa s ALA 53 CO 0.30 -0.51 -0.19 0.08 0.00 0.00 0.00 175.76 175.44 1nwa s VAL 54 N -3.94 1.76 -0.12 0.00 1.01 0.64 -1.35 120.40 118.39 1nwa s VAL 54 Ca 0.13 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.13 1nwa s VAL 54 Cb 0.06 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1nwa s VAL 54 CO -0.05 0.49 0.44 -0.70 0.00 0.00 0.00 175.10 175.29 1nwa s GLU 55 N 0.84 4.32 -0.12 2.72 2.12 -0.20 -1.50 118.70 126.87 1nwa s GLU 55 Ca -0.08 0.39 0.02 0.00 0.36 0.00 0.00 54.97 55.65 1nwa s GLU 55 Cb -0.15 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1nwa s GLU 55 CO -0.00 0.19 -0.18 0.42 -0.54 0.00 0.00 175.26 175.14 1nwa s ILE 56 N 0.55 1.75 -0.18 -3.70 1.01 0.34 -1.82 121.20 119.15 1nwa s ILE 56 Ca 0.24 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 1nwa s ILE 56 Cb -0.15 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 1nwa s ILE 56 CO 0.09 0.49 0.06 -0.63 0.00 0.00 0.00 174.94 174.95 1nwa s ILE 57 N 0.93 4.72 0.05 2.92 -1.09 -0.06 -1.08 121.20 127.59 1nwa s ILE 57 Ca -0.06 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 1nwa s ILE 57 Cb -0.15 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1nwa s ILE 57 CO -0.02 0.46 -0.04 0.72 -1.23 0.00 0.00 174.94 174.82 1nwa s PHE 58 N 0.42 0.52 -0.37 3.97 -0.12 -0.10 -0.31 117.98 122.00 1nwa s PHE 58 Ca 0.03 -0.78 -0.17 0.00 -0.05 0.00 0.00 56.93 55.96 1nwa s PHE 58 Cb -0.13 -0.35 0.00 0.00 -0.63 0.00 0.00 43.02 41.92 1nwa s PHE 58 CO 0.01 -0.23 0.46 0.34 -0.05 0.00 0.00 175.22 175.74 1nwa s ASP 59 N -2.26 6.25 0.00 1.98 -1.08 -0.12 -0.96 116.67 120.49 1nwa s ASP 59 Ca -0.02 -0.26 0.19 0.00 -0.52 0.00 0.00 52.55 51.94 1nwa s ASP 59 Cb -0.01 -2.24 1.16 0.00 -1.46 0.00 0.00 42.92 40.37 1nwa s ASP 59 CO -0.05 -0.48 1.59 -0.81 0.52 0.00 0.00 175.17 175.95 1nwa n PRO 60 N 5.63 0.74 0.00 4.34 -0.04 -1.26 -1.66 135.00 142.75 1nwa n PRO 60 Ca -0.06 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1nwa n PRO 60 Cb 0.49 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1nwa n PRO 60 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1nwa n THR 61 N -0.91 0.00 -0.07 0.52 -2.24 -1.26 -4.55 114.28 105.77 1nwa n THR 61 Ca 0.15 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1nwa n THR 61 Cb 0.07 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1nwa n THR 61 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1nwa n VAL 62 N -0.38 0.75 -4.12 2.28 0.31 -0.71 -5.06 118.33 111.40 1nwa n VAL 62 Ca 0.08 -0.26 -0.06 0.00 -0.01 0.00 0.00 64.34 64.08 1nwa n VAL 62 Cb 0.42 -1.14 -0.02 0.00 -0.91 0.00 0.00 33.84 32.20 1nwa n VAL 62 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1nwa n THR 63 N -3.06 0.00 -4.04 2.52 5.66 -0.67 -4.71 114.28 109.98 1nwa n THR 63 Ca -0.24 -0.60 -0.10 0.00 -3.05 0.00 0.00 64.05 60.07 1nwa n THR 63 Cb 0.73 0.23 -0.06 0.00 -1.55 0.00 0.00 70.33 69.68 1nwa n THR 63 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1nwa s ASP 64 N -1.62 -0.04 0.17 1.09 1.47 -1.26 -4.07 116.67 112.40 1nwa s ASP 64 Ca 0.06 -1.02 -0.14 0.00 1.18 0.00 0.00 52.55 52.63 1nwa s ASP 64 Cb 0.00 0.54 0.07 0.00 -0.34 0.00 0.00 42.92 43.20 1nwa s ASP 64 CO 0.04 -1.08 1.82 0.22 0.68 0.00 0.00 175.17 176.85 1nwa h TYR 65 N 2.33 0.58 -0.54 2.11 3.20 -1.97 -1.80 116.97 120.87 1nwa h TYR 65 Ca -0.28 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.67 1nwa h TYR 65 Cb 1.25 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 1nwa h TYR 65 CO 0.39 0.34 0.25 -0.09 -1.64 0.00 0.00 178.16 177.41 1nwa h ARG 66 N 0.62 0.47 -0.69 1.82 9.65 -1.97 -0.37 114.38 123.90 1nwa h ARG 66 Ca 0.19 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1nwa h ARG 66 Cb -0.02 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 1nwa h ARG 66 CO -0.07 0.31 0.34 1.15 2.80 0.00 0.00 179.97 184.50 1nwa h THR 67 N 0.48 1.23 -0.66 0.20 2.02 -1.87 -0.10 112.91 114.20 1nwa h THR 67 Ca 0.25 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1nwa h THR 67 Cb 0.21 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1nwa h THR 67 CO -0.20 0.26 0.20 -0.07 0.37 0.00 0.00 175.52 176.09 1nwa h LEU 68 N 0.96 0.97 -0.76 2.58 3.38 -0.87 -1.53 115.31 120.03 1nwa h LEU 68 Ca 0.24 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1nwa h LEU 68 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1nwa h LEU 68 CO -0.03 0.92 0.07 -0.07 0.09 0.00 0.00 178.44 179.42 1nwa h LEU 69 N 0.97 0.97 -0.81 1.67 3.38 -0.70 -0.28 115.31 120.51 1nwa h LEU 69 Ca 0.21 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1nwa h LEU 69 Cb 0.30 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1nwa h LEU 69 CO -0.01 0.99 0.50 -0.33 0.09 0.00 0.00 178.44 179.68 1nwa h GLU 70 N 0.95 1.10 -0.45 1.13 5.08 -0.72 -0.82 114.58 120.85 1nwa h GLU 70 Ca 0.19 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1nwa h GLU 70 Cb 0.45 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1nwa h GLU 70 CO 0.02 0.77 0.02 0.35 -1.00 0.00 0.00 179.01 179.17 1nwa h PHE 71 N 1.12 0.84 -0.51 4.33 3.57 -0.92 -2.46 116.94 122.92 1nwa h PHE 71 Ca 0.29 -0.14 0.10 0.00 3.53 0.00 0.00 57.97 61.76 1nwa h PHE 71 Cb -0.05 -0.22 -0.09 0.00 2.79 0.00 0.00 35.95 38.37 1nwa h PHE 71 CO -0.01 0.81 -0.09 0.35 -2.23 0.00 0.00 178.31 177.14 1nwa h PHE 72 N 0.62 -0.21 0.00 0.41 3.57 -0.70 -0.20 116.94 120.44 1nwa h PHE 72 Ca 0.13 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1nwa h PHE 72 Cb 0.47 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1nwa h PHE 72 CO 0.04 -0.20 0.00 1.19 -2.23 0.00 0.00 178.31 177.11 1nwa n PHE 73 N -5.33 0.52 0.24 0.41 0.99 -0.35 -2.52 117.46 111.42 1nwa n PHE 73 Ca 0.05 0.20 0.12 0.00 -0.00 0.00 0.00 57.45 57.81 1nwa n PHE 73 Cb 0.27 -0.82 0.06 0.00 -1.00 0.00 0.00 39.48 37.99 1nwa n PHE 73 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1nwa h GLN 74 N 0.00 0.00 -0.00 -1.08 4.15 -0.57 -3.39 115.11 114.21 1nwa h GLN 74 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1nwa h GLN 74 Cb 0.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1nwa h GLN 74 CO 0.00 0.00 -0.41 0.44 -1.93 0.00 0.00 178.83 176.93 1nwa n ILE 75 N -2.55 0.00 -4.05 2.39 -5.35 -0.90 -1.07 119.36 107.84 1nwa n ILE 75 Ca 0.01 -0.29 -0.11 0.00 -0.27 0.00 0.00 62.75 62.09 1nwa n ILE 75 Cb 0.52 1.03 -0.11 0.00 -1.74 0.00 0.00 39.64 39.33 1nwa n ILE 75 CO 0.00 0.00 0.00 -1.38 -1.76 0.00 0.00 176.55 173.41 1nwa s HIS 76 N -1.82 0.52 -0.40 4.28 -3.43 -1.17 -3.28 115.29 109.99 1nwa s HIS 76 Ca 0.05 -0.62 -0.27 0.00 -0.80 0.00 0.00 55.06 53.42 1nwa s HIS 76 Cb 0.08 -0.33 0.02 0.00 -1.43 0.00 0.00 32.58 30.91 1nwa s HIS 76 CO 0.38 -0.16 0.98 0.34 -2.00 0.00 0.00 174.74 174.28 1nwa s ASP 77 N -1.83 6.66 -0.04 7.38 -1.08 -1.26 -4.74 116.67 121.74 1nwa s ASP 77 Ca -0.08 0.51 0.07 0.00 -0.52 0.00 0.00 52.55 52.53 1nwa s ASP 77 Cb -0.06 -2.49 0.28 0.00 -1.46 0.00 0.00 42.92 39.19 1nwa s ASP 77 CO -0.02 -0.98 1.09 -0.81 0.52 0.00 0.00 175.17 174.97 1nwa n PRO 78 N 7.08 2.06 -0.01 4.34 -0.04 -1.26 -4.08 135.00 143.10 1nwa n PRO 78 Ca 0.08 -1.10 0.06 0.00 -0.04 0.00 0.00 63.50 62.50 1nwa n PRO 78 Cb 0.48 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.49 1nwa n PRO 78 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1nwa n THR 79 N 0.28 0.07 -4.20 0.52 -2.24 -1.26 -0.88 114.28 106.57 1nwa n THR 79 Ca 0.10 -0.53 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 1nwa n THR 79 Cb 0.42 1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.71 1nwa n THR 79 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1nwa s THR 80 N -0.94 3.94 -0.17 4.28 -4.23 -1.26 -4.75 115.64 112.52 1nwa s THR 80 Ca 0.14 -0.33 -0.28 0.00 -1.18 0.00 0.00 61.69 60.04 1nwa s THR 80 Cb 0.10 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 1nwa s THR 80 CO 0.14 0.46 0.97 -0.54 -0.54 0.00 0.00 174.62 175.11 1nwa s LYS 81 N 0.72 4.33 -1.46 3.99 1.02 -1.26 -3.89 119.74 123.19 1nwa s LYS 81 Ca -0.01 1.27 -0.12 0.00 0.02 0.00 0.00 55.97 57.14 1nwa s LYS 81 Cb -0.14 -3.59 0.06 0.00 -0.52 0.00 0.00 37.83 33.64 1nwa s LYS 81 CO 0.02 -0.43 1.06 -0.25 -0.92 0.00 0.00 175.35 174.82 1nwa n ASP 82 N 5.55 -5.30 -3.55 2.83 8.00 -1.26 -4.92 116.55 117.90 1nwa n ASP 82 Ca 0.09 -0.69 -0.14 0.00 0.71 0.00 0.00 54.79 54.75 1nwa n ASP 82 Cb 0.48 -4.32 -0.06 0.00 -0.02 0.00 0.00 41.12 37.20 1nwa n ASP 82 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1nwa s ARG 83 N -6.49 0.81 -0.10 -1.24 3.52 -1.25 -0.34 118.95 113.86 1nwa s ARG 83 Ca 0.62 0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 56.39 1nwa s ARG 83 Cb -0.30 0.38 0.04 0.00 -1.56 0.00 0.00 34.95 33.52 1nwa s ARG 83 CO 0.79 -0.25 0.07 -1.14 -0.81 0.00 0.00 175.30 173.97 1nwa s GLN 84 N -1.13 -0.01 7.79 5.12 2.00 0.02 -4.65 119.66 128.81 1nwa s GLN 84 Ca -0.06 0.17 0.00 0.00 -2.00 0.00 0.00 55.36 53.47 1nwa s GLN 84 Cb -0.00 -1.12 0.00 0.00 0.80 0.00 0.00 33.01 32.69 1nwa s GLN 84 CO 0.05 -0.49 0.00 0.41 -0.50 0.00 0.00 175.29 174.77 1nwa n GLY 85 N 5.29 3.92 0.71 2.59 0.00 -1.26 -1.14 105.19 115.31 1nwa n GLY 85 Ca -0.05 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1nwa n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nwa n ASN 86 N 6.57 2.16 -4.59 1.61 3.02 -1.26 -4.82 115.26 117.95 1nwa n ASN 86 Ca 0.00 -1.76 -0.42 0.00 -0.03 0.00 0.00 54.58 52.37 1nwa n ASN 86 Cb 0.00 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 1nwa n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1nwa s ASP 87 N -1.70 6.60 -0.13 6.41 1.01 -0.29 -5.03 116.67 123.55 1nwa s ASP 87 Ca 0.34 0.42 -0.01 0.00 0.71 0.00 0.00 52.55 54.02 1nwa s ASP 87 Cb 0.20 -2.43 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 1nwa s ASP 87 CO 0.29 -0.83 -0.11 -0.13 0.21 0.00 0.00 175.17 174.60 1nwa s ARG 88 N 3.34 3.37 0.00 8.23 0.52 -1.26 -0.80 118.95 132.36 1nwa s ARG 88 Ca 0.35 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 1nwa s ARG 88 Cb -0.12 -2.67 0.00 0.00 0.52 0.00 0.00 34.95 32.68 1nwa s ARG 88 CO 0.19 0.25 0.00 0.41 0.02 0.00 0.00 175.30 176.17 1nwa n GLY 89 N 3.42 3.38 0.32 -3.53 0.00 0.53 -4.88 105.19 104.43 1nwa n GLY 89 Ca -0.18 -1.72 0.22 0.00 0.00 0.00 0.00 46.02 44.34 1nwa n GLY 89 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1nwa h THR 90 N 0.94 0.00 -0.06 2.61 1.35 -1.94 -1.35 112.91 114.47 1nwa h THR 90 Ca 0.00 -0.10 0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1nwa h THR 90 Cb 0.00 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1nwa h THR 90 CO 0.00 0.00 0.07 0.28 -0.25 0.00 0.00 175.52 175.62 1nwa h SER 91 N 0.00 0.00 -0.23 5.36 0.02 -1.90 -2.96 113.55 113.84 1nwa h SER 91 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nwa h SER 91 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1nwa h SER 91 CO 0.00 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.47 1nwa n TYR 92 N -3.78 0.42 -1.79 3.45 4.01 -0.51 -0.57 117.16 118.39 1nwa n TYR 92 Ca -0.02 -0.61 -0.32 0.00 -0.16 0.00 0.00 57.90 56.80 1nwa n TYR 92 Cb 0.16 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.13 1nwa n TYR 92 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1nwa s ARG 93 N -1.49 3.06 -0.11 -0.72 1.70 -1.12 -2.99 118.95 117.28 1nwa s ARG 93 Ca 0.22 1.13 -0.24 0.00 -0.47 0.00 0.00 55.73 56.37 1nwa s ARG 93 Cb 0.15 -2.00 -0.03 0.00 -0.57 0.00 0.00 34.95 32.50 1nwa s ARG 93 CO 0.10 -1.01 0.74 0.45 -1.08 0.00 0.00 175.30 174.50 1nwa s SER 94 N -3.17 6.95 -0.08 -2.89 0.15 -1.26 -3.69 113.70 109.71 1nwa s SER 94 Ca 0.62 1.15 -0.21 0.00 0.70 0.00 0.00 55.95 58.21 1nwa s SER 94 Cb -0.16 -2.42 0.05 0.00 -1.71 0.00 0.00 66.02 61.78 1nwa s SER 94 CO 0.45 -0.23 0.49 0.00 1.20 0.00 0.00 173.24 175.15 1nwa s ALA 95 N 1.38 -1.24 -0.19 5.45 0.00 0.09 -1.12 121.76 126.14 1nwa s ALA 95 Ca 0.37 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1nwa s ALA 95 Cb -0.17 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1nwa s ALA 95 CO 0.16 -0.29 -0.18 0.42 0.00 0.00 0.00 175.76 175.86 1nwa s ILE 96 N -0.78 2.11 -0.39 0.00 1.01 0.62 -0.78 121.20 122.99 1nwa s ILE 96 Ca -0.09 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 1nwa s ILE 96 Cb -0.03 -1.93 0.05 0.00 0.01 0.00 0.00 42.46 40.56 1nwa s ILE 96 CO 0.05 0.47 0.23 -0.36 0.00 0.00 0.00 174.94 175.32 1nwa s PHE 97 N 1.27 3.28 0.13 3.97 2.99 -0.53 -1.82 117.98 127.28 1nwa s PHE 97 Ca 0.03 -1.21 -0.13 0.00 0.00 0.00 0.00 56.93 55.62 1nwa s PHE 97 Cb -0.14 -2.64 -0.07 0.00 0.00 0.00 0.00 43.02 40.17 1nwa s PHE 97 CO -0.12 -0.74 0.51 1.52 -0.00 0.00 0.00 175.22 176.40 1nwa s TYR 98 N 1.50 3.60 -0.63 0.36 -0.85 -0.41 -3.78 117.35 117.14 1nwa s TYR 98 Ca 0.02 0.99 0.22 0.00 -0.52 0.00 0.00 57.07 57.79 1nwa s TYR 98 Cb -0.21 -2.32 -0.04 0.00 0.38 0.00 0.00 41.96 39.78 1nwa s TYR 98 CO 0.05 0.45 0.95 1.19 -1.52 0.00 0.00 175.55 176.66 1nwa n PHE 99 N 0.81 0.17 -3.75 -3.49 3.01 -1.26 -0.59 117.46 112.36 1nwa n PHE 99 Ca -0.06 0.05 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 1nwa n PHE 99 Cb 0.52 -0.35 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 1nwa n PHE 99 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1nwa s ASP 100 N -3.79 -0.32 0.37 4.37 3.84 -1.26 -4.98 116.67 114.90 1nwa s ASP 100 Ca 0.03 -0.47 0.04 0.00 -0.00 0.00 0.00 52.55 52.15 1nwa s ASP 100 Cb 0.15 0.67 0.71 0.00 -1.38 0.00 0.00 42.92 43.07 1nwa s ASP 100 CO 0.82 -1.21 2.02 -0.08 -0.00 0.00 0.00 175.17 176.72 1nwa h GLU 101 N 2.04 0.70 -0.36 2.11 4.57 -1.99 -2.17 114.58 119.48 1nwa h GLU 101 Ca -0.24 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.87 1nwa h GLU 101 Cb 1.27 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.69 1nwa h GLU 101 CO 0.29 0.48 0.16 0.37 -1.18 0.00 0.00 179.01 179.13 1nwa h GLN 102 N 0.72 0.53 -0.59 1.92 4.15 -1.99 -1.01 115.11 118.83 1nwa h GLN 102 Ca 0.19 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1nwa h GLN 102 Cb -0.05 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1nwa h GLN 102 CO -0.04 0.50 0.38 1.96 -1.93 0.00 0.00 178.83 179.69 1nwa h GLN 103 N 0.44 0.73 -0.26 1.69 4.20 -1.89 0.84 115.11 120.86 1nwa h GLN 103 Ca 0.12 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1nwa h GLN 103 Cb 0.16 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 1nwa h GLN 103 CO -0.01 0.49 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.34 1nwa h LYS 104 N 0.76 -0.02 -0.47 1.46 3.64 -1.18 0.69 116.57 121.46 1nwa h LYS 104 Ca 0.22 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1nwa h LYS 104 Cb -0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1nwa h LYS 104 CO -0.07 -0.01 0.16 0.00 -2.27 0.00 0.00 179.45 177.26 1nwa h ARG 105 N -0.02 0.73 -0.75 1.90 3.08 -0.60 -1.44 114.38 117.27 1nwa h ARG 105 Ca 0.13 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1nwa h ARG 105 Cb 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1nwa h ARG 105 CO -0.27 0.68 0.26 0.82 -1.07 0.00 0.00 179.97 180.39 1nwa h ILE 106 N 0.62 1.26 -0.27 2.04 2.04 -0.63 0.58 117.51 123.14 1nwa h ILE 106 Ca 0.15 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1nwa h ILE 106 Cb 0.25 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1nwa h ILE 106 CO -0.01 0.34 0.17 0.00 0.00 0.00 0.00 178.15 178.66 1nwa h ALA 107 N 1.13 0.35 -0.48 1.87 0.00 -0.52 0.70 119.26 122.31 1nwa h ALA 107 Ca 0.24 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1nwa h ALA 107 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1nwa h ALA 107 CO -0.01 -0.16 -0.12 -0.07 0.00 0.00 0.00 179.25 178.88 1nwa h LEU 108 N 0.36 0.94 -0.86 0.00 3.38 -0.96 -1.44 115.31 116.72 1nwa h LEU 108 Ca 0.10 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1nwa h LEU 108 Cb -0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1nwa h LEU 108 CO -0.02 1.08 0.57 -0.78 0.09 0.00 0.00 178.44 179.38 1nwa h ASP 109 N 0.78 1.00 -0.36 -0.43 3.58 -0.69 -0.50 116.42 119.80 1nwa h ASP 109 Ca 0.12 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.50 1nwa h ASP 109 Cb 0.68 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1nwa h ASP 109 CO 0.05 0.73 0.08 0.74 -2.88 0.00 0.00 179.24 177.96 1nwa h THR 110 N 1.18 1.23 -0.83 2.25 2.02 -0.57 -1.71 112.91 116.47 1nwa h THR 110 Ca 0.32 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1nwa h THR 110 Cb -0.12 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1nwa h THR 110 CO -0.07 0.27 0.51 0.40 0.37 0.00 0.00 175.52 177.00 1nwa h ILE 111 N 0.44 1.23 -0.69 3.11 2.04 -1.02 -0.01 117.51 122.60 1nwa h ILE 111 Ca 0.11 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1nwa h ILE 111 Cb 0.32 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1nwa h ILE 111 CO 0.00 0.23 0.37 0.00 0.00 0.00 0.00 178.15 178.75 1nwa h ALA 112 N 1.42 0.88 -0.48 1.87 0.00 -0.73 -0.51 119.26 121.72 1nwa h ALA 112 Ca 0.30 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1nwa h ALA 112 Cb -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1nwa h ALA 112 CO -0.06 0.41 -0.10 -0.44 0.00 0.00 0.00 179.25 179.07 1nwa h ASP 113 N 0.95 0.92 -0.15 0.00 3.32 -0.80 -1.15 116.42 119.50 1nwa h ASP 113 Ca 0.24 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 56.96 1nwa h ASP 113 Cb 0.06 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1nwa h ASP 113 CO -0.04 1.06 0.03 0.58 -1.72 0.00 0.00 179.24 179.15 1nwa h VAL 114 N 0.76 0.94 -0.72 -1.35 2.07 -0.66 -1.92 116.25 115.37 1nwa h VAL 114 Ca 0.12 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1nwa h VAL 114 Cb 0.64 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1nwa h VAL 114 CO 0.04 0.02 0.34 -0.33 0.02 0.00 0.00 177.57 177.67 1nwa h GLU 115 N 0.10 1.04 0.00 1.57 4.39 -0.97 -2.70 114.58 118.00 1nwa h GLU 115 Ca 0.07 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 1nwa h GLU 115 Cb 0.05 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1nwa h GLU 115 CO -0.08 0.82 -0.21 0.00 -1.16 0.00 0.00 179.01 178.37 1nwa h ALA 116 N 1.17 1.10 0.00 3.43 0.00 -0.95 -2.89 119.26 121.12 1nwa h ALA 116 Ca 0.25 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1nwa h ALA 116 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1nwa h ALA 116 CO -0.03 0.26 -0.35 0.66 0.00 0.00 0.00 179.25 179.79 1nwa h SER 117 N 0.00 0.00 -0.07 0.00 4.64 -1.01 -3.47 113.55 113.65 1nwa h SER 117 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1nwa h SER 117 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1nwa h SER 117 CO 0.03 0.35 -0.03 0.61 -0.87 0.00 0.00 176.83 176.92 1nwa n GLY 118 N -0.33 0.30 0.12 -0.77 0.00 -1.09 -4.89 105.19 98.52 1nwa n GLY 118 Ca -0.02 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1nwa n GLY 118 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nwa h LEU 119 N 0.00 0.00-10.24 0.99 3.38 -1.87 -3.46 115.31 104.10 1nwa h LEU 119 Ca -0.03 -0.07 -0.47 0.00 0.09 0.00 0.00 57.88 57.40 1nwa h LEU 119 Cb 0.69 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.44 1nwa h LEU 119 CO 0.04 0.04 -0.24 0.26 0.09 0.00 0.00 178.44 178.63 1nwa s TRP 120 N -3.23 3.44 -1.28 1.13 0.51 -1.26 -4.83 118.94 113.42 1nwa s TRP 120 Ca 0.05 0.23 0.18 0.00 -2.12 0.00 0.00 56.10 54.43 1nwa s TRP 120 Cb 0.10 -1.87 0.85 0.00 -0.81 0.00 0.00 33.47 31.74 1nwa s TRP 120 CO 0.72 0.13 1.55 -0.35 -0.51 0.00 0.00 176.95 178.49 1nwa n PRO 121 N -1.73 0.17 -3.17 4.98 -0.04 -1.26 -4.91 135.00 129.03 1nwa n PRO 121 Ca -0.05 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1nwa n PRO 121 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1nwa n PRO 121 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nwa n GLY 122 N 0.26 -1.21 3.73 0.55 0.00 -1.26 -5.13 105.19 102.13 1nwa n GLY 122 Ca 0.07 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1nwa n GLY 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nwa n LYS 123 N 0.00 2.56 -2.35 1.61 4.81 -1.26 -4.88 118.16 118.65 1nwa n LYS 123 Ca 0.00 0.91 -0.42 0.00 -0.87 0.00 0.00 58.31 57.92 1nwa n LYS 123 Cb 0.00 -2.66 -0.03 0.00 0.02 0.00 0.00 35.03 32.37 1nwa n LYS 123 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1nwa s VAL 124 N -0.22 4.09 -1.38 3.15 1.01 -1.26 -4.31 120.40 121.49 1nwa s VAL 124 Ca 0.63 1.39 0.14 0.00 0.00 0.00 0.00 61.98 64.13 1nwa s VAL 124 Cb -0.52 -3.89 0.30 0.00 0.00 0.00 0.00 36.38 32.27 1nwa s VAL 124 CO 0.51 -0.06 1.21 1.33 0.00 0.00 0.00 175.10 178.09 1nwa n VAL 125 N 5.00 0.68 -1.62 2.92 0.24 -0.06 -4.99 118.33 120.50 1nwa n VAL 125 Ca 0.13 -0.84 -0.51 0.00 -2.04 0.00 0.00 64.34 61.08 1nwa n VAL 125 Cb 0.45 0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 33.52 1nwa n VAL 125 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1nwa n THR 126 N 0.80 0.04 -2.47 3.34 -1.04 -1.24 -4.87 114.28 108.84 1nwa n THR 126 Ca 0.13 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.72 1nwa n THR 126 Cb 0.44 -1.07 -0.04 0.00 -1.82 0.00 0.00 70.33 67.84 1nwa n THR 126 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1nwa s GLU 127 N 0.92 4.57 -0.29 -2.82 2.12 -0.27 -4.92 118.70 118.00 1nwa s GLU 127 Ca 0.84 1.78 0.02 0.00 0.36 0.00 0.00 54.97 57.97 1nwa s GLU 127 Cb -0.88 -3.25 0.07 0.00 0.26 0.00 0.00 34.13 30.32 1nwa s GLU 127 CO 0.46 0.05 -0.03 0.08 -0.54 0.00 0.00 175.26 175.27 1nwa s VAL 128 N -0.34 2.48 0.03 3.70 1.01 -1.26 -0.27 120.40 125.74 1nwa s VAL 128 Ca 0.49 -1.72 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 1nwa s VAL 128 Cb -0.31 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1nwa s VAL 128 CO 0.37 -0.19 0.01 -0.44 0.00 0.00 0.00 175.10 174.84 1nwa s SER 129 N 1.15 0.27 0.34 3.32 0.01 -0.76 -5.02 113.70 113.02 1nwa s SER 129 Ca -0.03 -0.61 -0.29 0.00 1.31 0.00 0.00 55.95 56.33 1nwa s SER 129 Cb -0.20 0.16 -0.10 0.00 0.21 0.00 0.00 66.02 66.08 1nwa s SER 129 CO -0.04 -0.42 1.35 -2.16 0.41 0.00 0.00 173.24 172.38 1nwa s PRO 130 N -2.29 4.29 0.31 12.44 0.04 -1.26 -1.29 135.00 147.24 1nwa s PRO 130 Ca -0.08 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 1nwa s PRO 130 Cb -0.04 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.35 1nwa s PRO 130 CO -0.04 -0.28 1.35 0.00 0.04 0.00 0.00 177.00 178.08 1nwa s ALA 131 N -1.10 3.54 0.00 8.56 0.00 0.24 -4.70 121.76 128.29 1nwa s ALA 131 Ca 0.50 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1nwa s ALA 131 Cb -0.41 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1nwa s ALA 131 CO 0.55 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1nwa n GLY 132 N 1.19 5.24 3.71 0.00 0.00 -1.26 -4.96 105.19 109.10 1nwa n GLY 132 Ca 0.02 -1.53 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 1nwa n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nwa n ASP 133 N 0.00 2.70 -4.03 1.61 8.00 -1.26 -4.95 116.55 118.62 1nwa n ASP 133 Ca 0.00 1.10 -0.31 0.00 0.71 0.00 0.00 54.79 56.29 1nwa n ASP 133 Cb 0.00 -1.52 -0.15 0.00 -0.02 0.00 0.00 41.12 39.42 1nwa n ASP 133 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1nwa s PHE 134 N -1.20 2.85 -0.48 1.24 2.19 -1.26 -4.27 117.98 117.05 1nwa s PHE 134 Ca 0.61 -1.98 -0.21 0.00 0.33 0.00 0.00 56.93 55.68 1nwa s PHE 134 Cb -0.49 -1.79 0.04 0.00 -1.31 0.00 0.00 43.02 39.47 1nwa s PHE 134 CO 0.57 -0.82 0.70 -1.58 1.83 0.00 0.00 175.22 175.92 1nwa s TRP 135 N 1.24 3.01 0.26 10.12 0.52 -0.32 -4.92 118.94 128.85 1nwa s TRP 135 Ca -0.05 -0.20 -0.31 0.00 0.02 0.00 0.00 56.10 55.56 1nwa s TRP 135 Cb -0.18 -3.56 -0.11 0.00 -1.15 0.00 0.00 33.47 28.47 1nwa s TRP 135 CO -0.07 -1.02 1.62 -2.00 0.02 0.00 0.00 176.95 175.50 1nwa s GLU 136 N 2.98 4.14 0.81 4.98 2.12 -1.26 -0.75 118.70 131.72 1nwa s GLU 136 Ca 0.22 2.55 -0.11 0.00 0.36 0.00 0.00 54.97 57.99 1nwa s GLU 136 Cb -0.15 -3.05 0.08 0.00 0.26 0.00 0.00 34.13 31.26 1nwa s GLU 136 CO 0.17 -0.65 1.09 0.00 -0.54 0.00 0.00 175.26 175.33 1nwa s ALA 137 N 0.40 2.05 0.59 6.30 0.00 -0.27 -4.86 121.76 125.97 1nwa s ALA 137 Ca 0.67 0.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 1nwa s ALA 137 Cb -0.48 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1nwa s ALA 137 CO 0.42 -1.91 1.05 0.39 0.00 0.00 0.00 175.76 175.71 1nwa n GLU 138 N -3.59 1.03 -0.34 0.00 4.71 -1.26 -4.82 120.64 116.36 1nwa n GLU 138 Ca 0.08 0.39 0.17 0.00 -0.01 0.00 0.00 57.16 57.79 1nwa n GLU 138 Cb 0.54 -2.25 0.39 0.00 -1.01 0.00 0.00 31.44 29.12 1nwa n GLU 138 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1nwa h PRO 139 N 0.65 0.58 0.00 3.49 0.11 -1.95 -1.25 132.00 133.63 1nwa h PRO 139 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1nwa h PRO 139 Cb 1.35 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1nwa h PRO 139 CO 0.52 0.39 -0.04 0.93 -0.21 0.00 0.00 178.00 179.59 1nwa h GLU 140 N 0.60 0.00 0.00 1.05 4.39 -2.03 -1.37 114.58 117.22 1nwa h GLU 140 Ca 0.61 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.31 1nwa h GLU 140 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1nwa h GLU 140 CO -0.41 0.04 -0.68 0.72 -1.16 0.00 0.00 179.01 177.52 1nwa n HIS 141 N -3.36 0.07 -2.64 4.33 8.25 -0.48 -4.71 115.22 116.68 1nwa n HIS 141 Ca -0.02 0.02 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 1nwa n HIS 141 Cb 0.17 -0.25 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 1nwa n HIS 141 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1nwa s GLN 142 N -3.04 4.64 -1.44 -0.41 -1.52 -0.52 -3.87 119.66 113.51 1nwa s GLN 142 Ca 0.09 1.56 -0.07 0.00 -1.95 0.00 0.00 55.36 54.99 1nwa s GLN 142 Cb 0.17 -3.34 0.03 0.00 -0.22 0.00 0.00 33.01 29.65 1nwa s GLN 142 CO 0.75 0.13 0.59 -0.25 -0.25 0.00 0.00 175.29 176.26 1nwa n ASP 143 N 2.74 -5.13 -0.02 5.90 9.92 -1.26 -4.87 116.55 123.83 1nwa n ASP 143 Ca 0.03 -0.35 -0.11 0.00 -0.53 0.00 0.00 54.79 53.83 1nwa n ASP 143 Cb 0.48 -4.17 -0.06 0.00 -0.64 0.00 0.00 41.12 36.73 1nwa n ASP 143 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1nwa h TYR 144 N -1.28 0.16 0.00 1.24 5.03 -1.85 -1.96 116.97 118.32 1nwa h TYR 144 Ca -0.49 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.81 1nwa h TYR 144 Cb 1.34 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.56 1nwa h TYR 144 CO 0.59 0.22 0.00 1.28 -1.32 0.00 0.00 178.16 178.92 1nwa n LEU 145 N -4.94 0.61 -0.05 2.82 4.77 -1.26 -0.35 117.00 118.60 1nwa n LEU 145 Ca -0.05 0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 56.35 1nwa n LEU 145 Cb 0.09 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1nwa n LEU 145 CO 0.34 -0.15 0.52 -0.61 -1.33 0.00 0.00 177.39 176.16 1nwa h GLN 146 N 0.00 0.41 0.04 3.23 4.15 -1.84 -2.98 115.11 118.12 1nwa h GLN 146 Ca 0.00 -0.26 -0.24 0.00 0.77 0.00 0.00 58.65 58.92 1nwa h GLN 146 Cb 0.67 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.39 1nwa h GLN 146 CO 0.00 0.86 -1.03 0.00 -1.93 0.00 0.00 178.83 176.73 1nwa h ARG 147 N 0.01 0.41 -2.71 1.69 3.08 -1.07 -3.39 114.38 112.41 1nwa h ARG 147 Ca 0.01 -0.49 -0.61 0.00 0.07 0.00 0.00 59.98 58.97 1nwa h ARG 147 Cb 0.84 0.15 -0.40 0.00 0.08 0.00 0.00 29.97 30.64 1nwa h ARG 147 CO 0.06 1.16 -0.74 0.66 -1.07 0.00 0.00 179.97 180.03 1nwa n TYR 148 N -3.71 1.63 0.31 3.04 4.01 0.52 -5.00 117.16 117.96 1nwa n TYR 148 Ca -0.08 -3.91 0.11 0.00 -0.16 0.00 0.00 57.90 53.87 1nwa n TYR 148 Cb 0.89 -0.29 0.52 0.00 -0.31 0.00 0.00 39.34 40.14 1nwa n TYR 148 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1nwa n PRO 149 N 2.16 0.17 -0.59 -0.72 -0.04 -1.13 -1.43 135.00 133.43 1nwa n PRO 149 Ca 0.24 0.50 0.09 0.00 -0.04 0.00 0.00 63.50 64.30 1nwa n PRO 149 Cb 0.41 -1.90 0.34 0.00 -0.04 0.00 0.00 33.50 32.31 1nwa n PRO 149 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1nwa n ASN 150 N -2.23 4.54 -4.70 3.54 3.02 -1.26 -4.99 115.26 113.18 1nwa n ASN 150 Ca 0.01 -2.41 -0.29 0.00 -0.03 0.00 0.00 54.58 51.86 1nwa n ASN 150 Cb 0.15 -0.57 0.16 0.00 -0.61 0.00 0.00 39.78 38.92 1nwa n ASN 150 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1nwa s GLY 151 N -0.87 1.58 0.28 7.41 0.00 -0.51 -4.96 107.32 110.25 1nwa s GLY 151 Ca 0.49 -0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.63 1nwa s GLY 151 CO 0.24 0.29 1.51 2.98 0.00 0.00 0.00 173.10 178.12 1nwa n TYR 152 N -4.02 2.60 -3.64 1.90 9.36 -1.26 -5.03 117.16 117.07 1nwa n TYR 152 Ca 0.06 0.34 -0.15 0.00 3.32 0.00 0.00 57.90 61.47 1nwa n TYR 152 Cb 0.57 -2.54 -0.07 0.00 -0.63 0.00 0.00 39.34 36.67 1nwa n TYR 152 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1nwa s THR 153 N -0.13 0.03 -0.06 2.97 -1.32 -1.26 -4.75 115.64 111.13 1nwa s THR 153 Ca 0.64 -0.28 0.09 0.00 -1.21 0.00 0.00 61.69 60.94 1nwa s THR 153 Cb -0.55 -0.85 0.14 0.00 -1.51 0.00 0.00 72.50 69.73 1nwa s THR 153 CO 0.50 -0.15 1.03 0.00 -2.21 0.00 0.00 174.62 173.79 1nwa s HIS 155 N -1.59 3.66 0.00 0.00 3.76 -1.26 -4.93 115.29 114.92 1nwa s HIS 155 Ca 0.16 0.82 -0.28 0.00 -0.15 0.00 0.00 55.06 55.61 1nwa s HIS 155 Cb 0.14 -2.16 0.09 0.00 1.11 0.00 0.00 32.58 31.75 1nwa s HIS 155 CO 0.01 0.63 0.79 -0.59 -0.85 0.00 0.00 174.74 174.73 1nwa s PHE 156 N -1.17 -0.46 -0.04 1.40 -0.12 -1.21 -5.04 117.98 111.34 1nwa s PHE 156 Ca 0.25 0.49 -0.30 0.00 -0.05 0.00 0.00 56.93 57.32 1nwa s PHE 156 Cb -0.15 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 1nwa s PHE 156 CO 0.13 -0.61 1.22 0.08 -0.05 0.00 0.00 175.22 175.99 1nwa s VAL 157 N -2.57 4.19 -0.57 -2.49 1.01 -1.26 -4.21 120.40 114.49 1nwa s VAL 157 Ca -0.00 1.53 -0.19 0.00 0.00 0.00 0.00 61.98 63.31 1nwa s VAL 157 Cb -0.01 -3.98 0.08 0.00 0.00 0.00 0.00 36.38 32.48 1nwa s VAL 157 CO -0.05 0.01 0.70 -0.13 0.00 0.00 0.00 175.10 175.64 1nwa s ARG 158 N 2.13 3.08 0.61 2.72 3.00 -0.23 -4.96 118.95 125.30 1nwa s ARG 158 Ca 0.57 -1.12 0.34 0.00 0.00 0.00 0.00 55.73 55.52 1nwa s ARG 158 Cb -0.26 -4.20 1.99 0.00 0.00 0.00 0.00 34.95 32.48 1nwa s ARG 158 CO 0.23 -1.46 2.29 -1.35 0.00 0.00 0.00 175.30 175.01 1nwa h PRO 159 N 9.16 0.00 -0.00 3.54 0.11 -1.94 -1.76 132.00 141.10 1nwa h PRO 159 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1nwa h PRO 159 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1nwa h PRO 159 CO 1.06 0.00 -0.08 0.41 -0.21 0.00 0.00 178.00 179.18 1nwa n GLY 160 N -1.26 -1.44 3.01 -0.55 0.00 -1.26 -4.27 105.19 99.42 1nwa n GLY 160 Ca -0.03 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1nwa n GLY 160 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nwa n TRP 161 N -1.48 3.37 -3.77 1.61 8.01 -0.66 -4.89 117.44 119.63 1nwa n TRP 161 Ca 0.07 -2.92 -0.13 0.00 -1.31 0.00 0.00 57.50 53.22 1nwa n TRP 161 Cb 0.33 -1.95 -0.13 0.00 -2.01 0.00 0.00 31.31 27.55 1nwa n TRP 161 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 1nwa s ARG 162 N 0.38 0.15 -0.36 -0.99 3.52 -1.26 -4.44 118.95 115.95 1nwa s ARG 162 Ca 0.39 0.34 -0.19 0.00 -0.13 0.00 0.00 55.73 56.15 1nwa s ARG 162 Cb 0.06 -0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 1nwa s ARG 162 CO 0.01 -0.11 0.54 -0.51 -0.81 0.00 0.00 175.30 174.43 1nwa s LEU 163 N 0.74 4.38 0.26 -0.88 1.43 -1.26 -4.97 118.68 118.38 1nwa s LEU 163 Ca -0.05 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1nwa s LEU 163 Cb -0.07 -2.62 0.33 0.00 0.03 0.00 0.00 46.19 43.86 1nwa s LEU 163 CO -0.04 -0.54 1.79 1.55 0.23 0.00 0.00 176.35 179.35 1nwa h PRO 164 N 8.52 0.89 -4.54 1.29 0.13 -2.00 -3.44 132.00 132.85 1nwa h PRO 164 Ca -0.27 -0.20 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 1nwa h PRO 164 Cb 1.12 -0.13 -0.15 0.00 0.13 0.00 0.00 31.00 31.97 1nwa h PRO 164 CO 0.80 0.81 -0.69 1.03 -0.23 0.00 0.00 178.00 179.71 1nwa s ARG 165 N -5.20 0.76 0.00 0.86 0.52 -1.26 -5.34 118.95 109.30 1nwa s ARG 165 Ca -0.10 -1.28 0.25 0.00 -0.52 0.00 0.00 55.73 54.08 1nwa s ARG 165 Cb 0.15 -0.10 0.33 0.00 0.52 0.00 0.00 34.95 35.85 1nwa s ARG 165 CO 0.81 -0.04 1.34 0.54 0.02 0.00 0.00 175.30 177.97