#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o94 s LYS 2 N 0.00 2.04 -0.14 1.43 1.02 -1.26 -1.58 119.74 121.25 1o94 s LYS 2 Ca 0.00 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.02 1o94 s LYS 2 Cb 0.00 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1o94 s LYS 2 CO 0.00 0.55 -0.15 0.42 -0.92 0.00 0.00 175.35 175.24 1o94 s ILE 3 N -0.74 2.72 -0.23 2.17 1.01 -0.03 -1.48 121.20 124.62 1o94 s ILE 3 Ca 0.12 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1o94 s ILE 3 Cb -0.10 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1o94 s ILE 3 CO 0.01 0.52 0.10 -0.22 0.00 0.00 0.00 174.94 175.35 1o94 s LEU 4 N 0.63 3.78 -0.12 2.97 2.96 -0.13 -1.17 118.68 127.61 1o94 s LEU 4 Ca -0.08 -0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1o94 s LEU 4 Cb -0.16 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1o94 s LEU 4 CO 0.03 0.06 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.32 1o94 s VAL 5 N 1.07 3.34 -0.33 1.68 1.01 -0.03 -0.11 120.40 127.03 1o94 s VAL 5 Ca 0.05 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1o94 s VAL 5 Cb -0.14 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1o94 s VAL 5 CO 0.04 0.53 0.18 -0.63 0.00 0.00 0.00 175.10 175.22 1o94 s ILE 6 N 0.08 4.69 1.00 2.22 -1.09 -0.59 -1.09 121.20 126.41 1o94 s ILE 6 Ca -0.04 -0.53 -0.14 0.00 -2.23 0.00 0.00 60.65 57.72 1o94 s ILE 6 Cb -0.14 -3.46 0.19 0.00 -1.58 0.00 0.00 42.46 37.47 1o94 s ILE 6 CO 0.04 -0.03 1.13 0.00 -1.23 0.00 0.00 174.94 174.84 1o94 s ALA 7 N 1.61 1.28 -0.05 9.38 0.00 -0.25 -4.44 121.76 129.30 1o94 s ALA 7 Ca 0.04 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1o94 s ALA 7 Cb -0.18 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1o94 s ALA 7 CO 0.07 -2.73 0.11 -2.00 0.00 0.00 0.00 175.76 171.20 1o94 s GLU 8 N -5.22 0.06 0.17 0.00 2.12 -1.26 -4.80 118.70 109.76 1o94 s GLU 8 Ca 0.66 0.29 0.02 0.00 0.36 0.00 0.00 54.97 56.31 1o94 s GLU 8 Cb -0.15 -0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.02 1o94 s GLU 8 CO 0.55 -0.15 -0.01 -3.38 -0.54 0.00 0.00 175.26 171.73 1o94 s HIS 9 N 1.02 1.20 -0.21 5.30 -3.43 -1.26 -0.39 115.29 117.52 1o94 s HIS 9 Ca -0.08 -0.98 -0.16 0.00 -0.80 0.00 0.00 55.06 53.04 1o94 s HIS 9 Cb -0.11 -0.68 0.06 0.00 -1.43 0.00 0.00 32.58 30.42 1o94 s HIS 9 CO -0.04 -0.17 0.54 0.50 -2.00 0.00 0.00 174.74 173.56 1o94 s ARG 10 N -3.89 0.58 -1.46 -0.38 3.52 0.20 -4.71 118.95 112.81 1o94 s ARG 10 Ca 0.22 0.87 -0.05 0.00 -0.13 0.00 0.00 55.73 56.65 1o94 s ARG 10 Cb 0.06 0.18 0.04 0.00 -1.56 0.00 0.00 34.95 33.66 1o94 s ARG 10 CO 0.03 -0.12 0.57 0.54 -0.81 0.00 0.00 175.30 175.52 1o94 n ARG 11 N 3.54 -3.70 -0.10 5.12 1.74 -1.26 -1.52 116.66 120.48 1o94 n ARG 11 Ca -0.18 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1o94 n ARG 11 Cb 0.57 -4.80 0.00 0.00 -1.02 0.00 0.00 32.46 27.20 1o94 n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1o94 n ASN 12 N -2.93 0.00 -4.59 0.55 3.02 -1.26 -5.00 115.26 105.05 1o94 n ASN 12 Ca -0.21 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.00 1o94 n ASN 12 Cb 0.64 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 39.55 1o94 n ASN 12 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1o94 s ASP 13 N -3.73 4.72 0.13 6.41 1.01 -0.58 -5.05 116.67 119.59 1o94 s ASP 13 Ca 0.00 -0.00 -0.30 0.00 0.71 0.00 0.00 52.55 52.95 1o94 s ASP 13 Cb 0.00 -1.22 -0.07 0.00 1.01 0.00 0.00 42.92 42.64 1o94 s ASP 13 CO 0.00 0.36 1.24 -0.22 0.21 0.00 0.00 175.17 176.77 1o94 s LEU 14 N -0.80 4.40 0.08 1.23 2.96 -1.26 -0.63 118.68 124.66 1o94 s LEU 14 Ca 0.12 2.19 -0.25 0.00 -0.22 0.00 0.00 54.13 55.97 1o94 s LEU 14 Cb -0.11 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1o94 s LEU 14 CO 0.02 -0.47 0.77 -0.13 -1.32 0.00 0.00 176.35 175.21 1o94 s ARG 15 N 0.50 4.51 0.60 1.98 0.52 0.47 -4.94 118.95 122.59 1o94 s ARG 15 Ca 0.57 1.09 0.30 0.00 -0.52 0.00 0.00 55.73 57.17 1o94 s ARG 15 Cb -0.33 -3.34 1.69 0.00 0.52 0.00 0.00 34.95 33.50 1o94 s ARG 15 CO 0.33 0.36 2.09 -1.00 0.02 0.00 0.00 175.30 177.10 1o94 h PRO 16 N 5.31 0.00 -0.11 3.54 0.13 -1.95 -0.70 132.00 138.21 1o94 h PRO 16 Ca -0.45 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1o94 h PRO 16 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1o94 h PRO 16 CO 0.70 0.00 0.13 -0.24 -0.23 0.00 0.00 178.00 178.35 1o94 h VAL 17 N 0.00 0.49 -0.69 1.56 3.04 -1.92 -2.73 116.25 116.01 1o94 h VAL 17 Ca 0.08 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.81 1o94 h VAL 17 Cb 0.51 0.90 -0.04 0.00 -2.01 0.00 0.00 31.29 30.65 1o94 h VAL 17 CO -0.00 0.00 0.43 0.28 -1.01 0.00 0.00 177.57 177.27 1o94 h SER 18 N 0.00 0.70 0.98 3.17 0.02 -1.41 -1.25 113.55 115.76 1o94 h SER 18 Ca 0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1o94 h SER 18 Cb 0.30 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1o94 h SER 18 CO -0.00 0.48 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.75 1o94 h LEU 19 N 0.83 0.00 -0.62 5.07 3.38 -1.71 -2.22 115.31 120.05 1o94 h LEU 19 Ca 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1o94 h LEU 19 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1o94 h LEU 19 CO -0.11 0.35 0.03 -0.33 0.09 0.00 0.00 178.44 178.46 1o94 h GLU 20 N 0.00 1.07 -0.52 1.13 5.08 -1.29 -1.36 114.58 118.70 1o94 h GLU 20 Ca -0.00 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 1o94 h GLU 20 Cb 0.93 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1o94 h GLU 20 CO 0.05 1.03 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.95 1o94 h LEU 21 N 0.97 0.92 -0.37 1.33 3.38 -0.87 0.21 115.31 120.88 1o94 h LEU 21 Ca 0.18 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1o94 h LEU 21 Cb 0.53 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1o94 h LEU 21 CO 0.03 1.01 0.14 0.40 0.09 0.00 0.00 178.44 180.11 1o94 h ILE 22 N 0.84 0.91 0.12 1.22 2.04 -1.30 0.13 117.51 121.47 1o94 h ILE 22 Ca 0.14 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1o94 h ILE 22 Cb 0.59 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1o94 h ILE 22 CO 0.04 0.05 -0.37 1.23 0.00 0.00 0.00 178.15 179.10 1o94 h GLY 23 N 0.30 -0.72 -0.02 5.37 0.00 -0.65 -1.13 103.07 106.21 1o94 h GLY 23 Ca 0.17 0.44 0.13 0.00 0.00 0.00 0.00 47.33 48.06 1o94 h GLY 23 CO -0.16 -0.26 0.03 0.00 0.00 0.00 0.00 176.54 176.15 1o94 h ALA 24 N -0.03 0.63 -0.61 3.60 0.00 -0.29 -1.56 119.26 121.01 1o94 h ALA 24 Ca 0.03 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1o94 h ALA 24 Cb 0.63 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1o94 h ALA 24 CO -0.22 -0.38 0.13 0.00 0.00 0.00 0.00 179.25 178.78 1o94 h ALA 25 N 1.55 0.80 -0.16 0.00 0.00 -0.41 -0.49 119.26 120.55 1o94 h ALA 25 Ca 0.32 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1o94 h ALA 25 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1o94 h ALA 25 CO -0.50 0.52 -0.42 -0.91 0.00 0.00 0.00 179.25 177.94 1o94 h ASN 26 N 0.89 0.41 1.34 0.00 4.21 -0.91 -2.21 115.58 119.32 1o94 h ASN 26 Ca 0.19 -0.18 -0.07 0.00 1.21 0.00 0.00 56.30 57.45 1o94 h ASN 26 Cb 0.37 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1o94 h ASN 26 CO 0.00 0.78 -0.33 1.23 -1.29 0.00 0.00 177.43 177.82 1o94 h GLY 27 N 1.17 0.00 1.32 2.83 0.00 -0.95 -3.28 103.07 104.15 1o94 h GLY 27 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.07 1o94 h GLY 27 CO 0.07 0.00 -1.48 -2.00 0.00 0.00 0.00 176.54 173.13 1o94 h LEU 28 N 0.00 0.22 -9.97 3.11 5.85 -0.86 -3.48 115.31 110.19 1o94 h LEU 28 Ca -0.00 -0.32 -0.54 0.00 0.84 0.00 0.00 57.88 57.85 1o94 h LEU 28 Cb 1.09 -0.07 0.11 0.00 0.37 0.00 0.00 40.66 42.16 1o94 h LEU 28 CO 0.04 1.27 0.69 -1.59 -0.34 0.00 0.00 178.44 178.52 1o94 s LYS 29 N -2.63 3.81 0.11 1.25 0.00 -0.85 -4.73 119.74 116.70 1o94 s LYS 29 Ca -0.06 2.38 -0.13 0.00 0.00 0.00 0.00 55.97 58.16 1o94 s LYS 29 Cb 0.08 -2.72 -0.11 0.00 0.00 0.00 0.00 37.83 35.07 1o94 s LYS 29 CO 0.84 -0.70 1.37 0.87 0.00 0.00 0.00 175.35 177.73 1o94 h LYS 30 N 2.50 0.81 -5.28 1.78 1.57 -1.92 -3.46 116.57 112.57 1o94 h LYS 30 Ca -0.51 -0.53 -0.38 0.00 -1.87 0.00 0.00 60.65 57.36 1o94 h LYS 30 Cb 1.26 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.49 1o94 h LYS 30 CO 0.62 1.16 -0.73 -1.54 -0.57 0.00 0.00 179.45 178.39 1o94 s SER 31 N -6.88 2.06 0.55 0.86 1.04 -1.26 -5.03 113.70 105.04 1o94 s SER 31 Ca -0.11 -0.98 0.28 0.00 0.48 0.00 0.00 55.95 55.62 1o94 s SER 31 Cb 0.09 -0.06 1.59 0.00 0.10 0.00 0.00 66.02 67.74 1o94 s SER 31 CO 0.88 -0.25 2.14 1.23 0.98 0.00 0.00 173.24 178.22 1o94 h GLY 32 N 2.85 0.00 2.00 7.32 0.00 -1.99 -1.52 103.07 111.73 1o94 h GLY 32 Ca -0.38 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1o94 h GLY 32 CO 0.61 0.00 -0.24 1.05 0.00 0.00 0.00 176.54 177.96 1o94 h GLU 33 N 0.00 0.00 -7.07 4.80 -0.00 -1.98 -3.45 114.58 106.88 1o94 h GLU 33 Ca -0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 59.36 58.81 1o94 h GLU 33 Cb 0.21 0.00 0.15 0.00 -0.00 0.00 0.00 28.75 29.10 1o94 h GLU 33 CO 0.01 0.24 0.59 -0.51 -0.00 0.00 0.00 179.01 179.34 1o94 s ASP 34 N -6.21 5.06 -0.01 3.06 1.01 -0.57 -4.80 116.67 114.21 1o94 s ASP 34 Ca 0.01 2.76 0.03 0.00 0.71 0.00 0.00 52.55 56.06 1o94 s ASP 34 Cb 0.10 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1o94 s ASP 34 CO 0.64 -1.71 -0.07 -1.59 0.21 0.00 0.00 175.17 172.65 1o94 s LYS 35 N -3.03 2.57 -0.28 8.23 -2.85 -0.61 -4.99 119.74 118.78 1o94 s LYS 35 Ca 0.75 -0.70 -0.06 0.00 -1.00 0.00 0.00 55.97 54.95 1o94 s LYS 35 Cb -0.40 -2.51 0.01 0.00 -2.06 0.00 0.00 37.83 32.87 1o94 s LYS 35 CO 0.47 0.61 0.06 0.08 0.10 0.00 0.00 175.35 176.66 1o94 s VAL 36 N -0.96 3.86 -0.19 1.79 1.01 -1.26 -0.85 120.40 123.80 1o94 s VAL 36 Ca 0.16 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1o94 s VAL 36 Cb -0.11 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1o94 s VAL 36 CO 0.06 0.14 0.03 0.54 0.00 0.00 0.00 175.10 175.88 1o94 s VAL 37 N 1.50 4.34 -0.10 2.92 0.11 -0.31 -0.81 120.40 128.04 1o94 s VAL 37 Ca 0.03 -0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1o94 s VAL 37 Cb -0.17 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.70 1o94 s VAL 37 CO 0.02 0.43 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.45 1o94 s VAL 38 N 0.76 3.55 0.08 2.04 1.01 0.13 -0.85 120.40 127.12 1o94 s VAL 38 Ca 0.02 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1o94 s VAL 38 Cb -0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1o94 s VAL 38 CO 0.02 0.56 -0.26 0.00 0.00 0.00 0.00 175.10 175.42 1o94 s ALA 39 N -0.31 2.34 -0.04 5.51 0.00 -0.25 -0.45 121.76 128.56 1o94 s ALA 39 Ca 0.04 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1o94 s ALA 39 Cb -0.13 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1o94 s ALA 39 CO 0.02 0.54 -0.03 0.54 0.00 0.00 0.00 175.76 176.84 1o94 s VAL 40 N -0.91 0.40 -0.09 0.00 0.11 -0.63 -1.09 120.40 118.18 1o94 s VAL 40 Ca 0.13 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1o94 s VAL 40 Cb -0.10 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1o94 s VAL 40 CO 0.04 0.19 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.18 1o94 s ILE 41 N 0.96 1.71 0.00 7.04 1.01 -1.26 -1.13 121.20 129.53 1o94 s ILE 41 Ca -0.11 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1o94 s ILE 41 Cb -0.14 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1o94 s ILE 41 CO -0.01 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1o94 n GLY 42 N 3.74 2.59 0.26 6.18 0.00 -0.48 -4.88 105.19 112.60 1o94 n GLY 42 Ca -0.20 -0.87 0.03 0.00 0.00 0.00 0.00 46.02 44.98 1o94 n GLY 42 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1o94 h SER 43 N 0.00 0.27 -0.98 1.61 4.64 -1.15 -2.80 113.55 115.14 1o94 h SER 43 Ca 0.00 -0.04 -0.57 0.00 -0.47 0.00 0.00 61.79 60.71 1o94 h SER 43 Cb 0.00 -0.07 -0.42 0.00 -0.31 0.00 0.00 62.40 61.60 1o94 h SER 43 CO 0.00 0.36 -0.67 0.00 -0.87 0.00 0.00 176.83 175.65 1o94 n GLN 44 N -4.33 3.51 0.23 4.77 6.02 -1.26 -4.81 117.38 121.51 1o94 n GLN 44 Ca -0.00 -4.19 0.12 0.00 -0.01 0.00 0.00 57.00 52.91 1o94 n GLN 44 Cb 0.21 -2.27 0.42 0.00 1.02 0.00 0.00 30.24 29.62 1o94 n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o94 h ALA 45 N 2.28 0.97 -1.03 -1.58 0.00 -1.79 -3.09 119.26 115.02 1o94 h ALA 45 Ca 0.37 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.42 1o94 h ALA 45 Cb 1.32 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1o94 h ALA 45 CO 0.84 0.19 0.70 -0.44 0.00 0.00 0.00 179.25 180.54 1o94 h ASP 46 N 0.00 0.23 0.33 0.00 3.32 -1.87 -1.29 116.42 117.14 1o94 h ASP 46 Ca -0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1o94 h ASP 46 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1o94 h ASP 46 CO 0.02 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 1o94 h ALA 47 N 1.55 1.00 -0.12 3.45 0.00 -1.96 -2.59 119.26 120.58 1o94 h ALA 47 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1o94 h ALA 47 Cb 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1o94 h ALA 47 CO -0.14 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.30 1o94 n PHE 48 N -2.51 0.14 -0.23 0.00 3.01 -0.49 -4.47 117.46 112.92 1o94 n PHE 48 Ca -0.01 -0.07 -0.08 0.00 1.01 0.00 0.00 57.45 58.31 1o94 n PHE 48 Cb 0.13 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.63 1o94 n PHE 48 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1o94 h VAL 49 N 3.34 1.25 -0.74 -4.37 -1.51 -1.63 -2.25 116.25 110.35 1o94 h VAL 49 Ca 0.00 -0.92 0.07 0.00 -1.23 0.00 0.00 66.70 64.62 1o94 h VAL 49 Cb 0.72 0.62 -0.06 0.00 -2.13 0.00 0.00 31.29 30.44 1o94 h VAL 49 CO 0.00 0.35 0.42 -0.65 -1.23 0.00 0.00 177.57 176.46 1o94 h PRO 50 N 0.95 0.73 0.00 5.19 0.11 -1.83 -0.63 132.00 136.52 1o94 h PRO 50 Ca 0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1o94 h PRO 50 Cb 0.35 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1o94 h PRO 50 CO 0.00 0.48 0.00 0.00 -0.21 0.00 0.00 178.00 178.27 1o94 n ALA 51 N -2.36 2.17 0.73 -0.75 0.00 -1.03 -2.79 120.51 116.47 1o94 n ALA 51 Ca 0.11 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1o94 n ALA 51 Cb 0.21 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.28 1o94 n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1o94 n LEU 52 N -1.88 2.29 -4.20 0.00 4.77 -0.88 -4.70 117.00 112.41 1o94 n LEU 52 Ca 0.06 -0.95 -0.43 0.00 -0.03 0.00 0.00 56.01 54.65 1o94 n LEU 52 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1o94 n LEU 52 CO 0.26 0.41 1.71 -1.20 -1.33 0.00 0.00 177.39 177.24 1o94 n SER 53 N 0.76 5.10 -4.19 -1.43 7.64 -0.27 -4.87 113.62 116.35 1o94 n SER 53 Ca 0.09 -3.02 -0.12 0.00 1.01 0.00 0.00 58.87 56.83 1o94 n SER 53 Cb 0.42 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 61.97 1o94 n SER 53 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1o94 s VAL 54 N 1.29 0.70 0.13 0.44 -7.23 -1.26 -2.11 120.40 112.35 1o94 s VAL 54 Ca 0.42 -1.95 -0.35 0.00 -1.81 0.00 0.00 61.98 58.29 1o94 s VAL 54 Cb 0.03 -1.83 -0.16 0.00 0.56 0.00 0.00 36.38 34.98 1o94 s VAL 54 CO 0.00 -0.74 1.29 -3.20 -0.31 0.00 0.00 175.10 172.14 1o94 n ASN 55 N -0.11 1.65 0.00 4.85 5.15 -0.33 -2.57 115.26 123.91 1o94 n ASN 55 Ca -0.10 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.00 1o94 n ASN 55 Cb 0.62 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 1o94 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1o94 n GLY 56 N 2.37 0.16 3.37 8.20 0.00 -1.26 -4.82 105.19 113.21 1o94 n GLY 56 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1o94 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o94 s VAL 57 N -2.00 4.50 -0.04 1.61 1.01 -1.06 -4.58 120.40 119.84 1o94 s VAL 57 Ca 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1o94 s VAL 57 Cb 0.00 -3.49 -0.28 0.00 0.00 0.00 0.00 36.38 32.61 1o94 s VAL 57 CO 0.00 -0.19 0.69 0.44 0.00 0.00 0.00 175.10 176.04 1o94 h ASP 58 N 8.41 0.43 -3.60 3.32 5.19 -1.32 -3.28 116.42 125.58 1o94 h ASP 58 Ca -0.26 -0.69 -0.35 0.00 -0.62 0.00 0.00 57.03 55.10 1o94 h ASP 58 Cb 1.11 -0.14 -0.32 0.00 0.18 0.00 0.00 39.33 40.15 1o94 h ASP 58 CO 0.66 1.59 -0.76 -1.61 -3.12 0.00 0.00 179.24 176.00 1o94 s GLU 59 N -2.59 0.48 -0.23 3.56 2.02 -0.98 -1.23 118.70 119.74 1o94 s GLU 59 Ca -0.13 -0.05 -0.01 0.00 0.02 0.00 0.00 54.97 54.80 1o94 s GLU 59 Cb 0.06 -0.55 0.02 0.00 0.10 0.00 0.00 34.13 33.76 1o94 s GLU 59 CO 0.84 -0.05 -0.10 -1.17 0.02 0.00 0.00 175.26 174.80 1o94 s LEU 60 N 0.66 2.87 -0.26 1.80 0.20 0.30 -0.69 118.68 123.56 1o94 s LEU 60 Ca -0.07 -0.78 -0.07 0.00 0.69 0.00 0.00 54.13 53.89 1o94 s LEU 60 Cb -0.11 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.02 1o94 s LEU 60 CO -0.01 -0.08 0.07 -0.69 -0.29 0.00 0.00 176.35 175.36 1o94 s VAL 61 N 1.32 4.27 -0.35 1.68 1.01 0.41 -1.00 120.40 127.74 1o94 s VAL 61 Ca 0.02 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1o94 s VAL 61 Cb -0.16 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1o94 s VAL 61 CO -0.07 0.30 0.36 -0.69 0.00 0.00 0.00 175.10 175.00 1o94 s VAL 62 N 1.60 5.17 -0.33 2.92 1.01 -0.18 -1.61 120.40 128.99 1o94 s VAL 62 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1o94 s VAL 62 Cb -0.15 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1o94 s VAL 62 CO 0.03 -0.11 0.20 -0.69 0.00 0.00 0.00 175.10 174.54 1o94 s VAL 63 N 2.00 4.92 -0.32 2.92 1.01 -0.28 -1.04 120.40 129.60 1o94 s VAL 63 Ca 0.11 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1o94 s VAL 63 Cb -0.17 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1o94 s VAL 63 CO 0.12 -0.01 0.62 -0.54 0.00 0.00 0.00 175.10 175.28 1o94 s LYS 64 N 1.66 3.83 0.00 2.72 1.02 -0.36 -1.38 119.74 127.23 1o94 s LYS 64 Ca 0.05 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1o94 s LYS 64 Cb -0.17 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 1o94 s LYS 64 CO 0.08 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1o94 n GLY 65 N 4.51 4.38 0.24 -3.33 0.00 -1.23 -0.16 105.19 109.59 1o94 n GLY 65 Ca -0.01 -2.14 -0.15 0.00 0.00 0.00 0.00 46.02 43.72 1o94 n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1o94 h SER 66 N 0.00 0.94 -3.09 1.61 0.02 -1.92 -3.20 113.55 107.92 1o94 h SER 66 Ca 0.00 -0.53 -0.54 0.00 -0.84 0.00 0.00 61.79 59.88 1o94 h SER 66 Cb 0.00 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1o94 h SER 66 CO 0.00 1.30 -0.23 -0.94 -1.14 0.00 0.00 176.83 175.81 1o94 s SER 67 N -6.89 6.45 -0.02 3.07 1.04 -1.26 -4.78 113.70 111.31 1o94 s SER 67 Ca -0.11 0.60 -0.21 0.00 0.48 0.00 0.00 55.95 56.72 1o94 s SER 67 Cb 0.10 -2.10 -0.12 0.00 0.10 0.00 0.00 66.02 64.00 1o94 s SER 67 CO 0.88 -0.09 0.89 0.40 0.98 0.00 0.00 173.24 176.29 1o94 h ILE 68 N 1.58 0.25 -6.23 -1.02 2.04 -1.95 -0.92 117.51 111.26 1o94 h ILE 68 Ca -0.47 -0.61 -0.53 0.00 1.00 0.00 0.00 64.86 64.25 1o94 h ILE 68 Cb 1.18 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1o94 h ILE 68 CO 0.68 0.05 -0.17 0.47 0.00 0.00 0.00 178.15 179.18 1o94 n ASP 69 N -5.17 2.45 -4.55 1.72 8.00 -1.26 -3.96 116.55 113.77 1o94 n ASP 69 Ca -0.09 -2.72 -0.47 0.00 0.71 0.00 0.00 54.79 52.22 1o94 n ASP 69 Cb 0.27 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1o94 n ASP 69 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1o94 n PHE 70 N -2.03 1.00 -3.70 1.24 7.35 -1.26 -5.00 117.46 115.06 1o94 n PHE 70 Ca 0.07 0.74 -0.15 0.00 -0.76 0.00 0.00 57.45 57.35 1o94 n PHE 70 Cb 0.62 -2.21 -0.15 0.00 0.35 0.00 0.00 39.48 38.08 1o94 n PHE 70 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1o94 s ASP 71 N -0.39 0.32 0.29 -2.13 -1.08 -1.26 -4.94 116.67 107.48 1o94 s ASP 71 Ca 0.66 0.33 0.01 0.00 -0.52 0.00 0.00 52.55 53.03 1o94 s ASP 71 Cb -0.81 0.26 0.44 0.00 -1.46 0.00 0.00 42.92 41.35 1o94 s ASP 71 CO 0.56 -0.20 1.80 -0.65 0.52 0.00 0.00 175.17 177.20 1o94 h PRO 72 N 7.82 0.66 -0.20 4.34 0.11 -1.94 -0.41 132.00 142.38 1o94 h PRO 72 Ca -0.28 -0.17 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1o94 h PRO 72 Cb 1.13 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1o94 h PRO 72 CO 0.28 0.70 0.06 -0.44 -0.21 0.00 0.00 178.00 178.38 1o94 h ASP 73 N 0.62 0.31 -0.24 -2.05 3.32 -1.98 -0.04 116.42 116.35 1o94 h ASP 73 Ca 0.12 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1o94 h ASP 73 Cb 0.43 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1o94 h ASP 73 CO 0.02 0.45 0.08 0.58 -1.72 0.00 0.00 179.24 178.64 1o94 h VAL 74 N 0.15 1.19 -0.43 -1.35 2.07 -1.86 -1.22 116.25 114.81 1o94 h VAL 74 Ca 0.06 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1o94 h VAL 74 Cb 0.26 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1o94 h VAL 74 CO -0.00 0.20 0.23 -0.26 0.02 0.00 0.00 177.57 177.76 1o94 h PHE 75 N 0.23 0.59 -0.38 1.57 -1.00 -1.07 0.46 116.94 117.34 1o94 h PHE 75 Ca 0.08 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.83 1o94 h PHE 75 Cb 0.23 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 1o94 h PHE 75 CO 0.00 0.45 0.17 1.49 -1.61 0.00 0.00 178.31 178.82 1o94 h GLU 76 N 0.56 0.56 -0.64 1.51 4.81 -0.86 0.57 114.58 121.09 1o94 h GLU 76 Ca 0.15 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1o94 h GLU 76 Cb 0.06 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1o94 h GLU 76 CO -0.02 0.51 0.21 0.00 -0.73 0.00 0.00 179.01 178.98 1o94 h ALA 77 N 1.02 1.16 0.05 2.92 0.00 -1.05 0.78 119.26 124.14 1o94 h ALA 77 Ca 0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1o94 h ALA 77 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1o94 h ALA 77 CO -0.01 0.59 -0.03 0.77 0.00 0.00 0.00 179.25 180.57 1o94 h SER 78 N 0.94 -0.06 -0.62 0.00 0.02 -0.58 -2.18 113.55 111.07 1o94 h SER 78 Ca 0.21 -0.43 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1o94 h SER 78 Cb 0.26 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1o94 h SER 78 CO -0.01 0.41 0.09 0.58 -1.14 0.00 0.00 176.83 176.76 1o94 h VAL 79 N -0.55 1.26 -0.65 2.27 2.07 -0.81 0.18 116.25 120.02 1o94 h VAL 79 Ca -0.01 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1o94 h VAL 79 Cb 0.49 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1o94 h VAL 79 CO 0.01 0.38 0.36 0.28 0.02 0.00 0.00 177.57 178.62 1o94 h SER 80 N 0.95 0.54 -0.82 0.57 0.02 -0.90 0.39 113.55 114.30 1o94 h SER 80 Ca 0.19 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1o94 h SER 80 Cb 0.45 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1o94 h SER 80 CO 0.01 0.35 0.41 0.00 -1.14 0.00 0.00 176.83 176.47 1o94 h ALA 81 N 1.34 1.05 -0.67 3.77 0.00 -0.77 -1.89 119.26 122.09 1o94 h ALA 81 Ca 0.29 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1o94 h ALA 81 Cb 0.17 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1o94 h ALA 81 CO -0.18 0.60 0.12 -0.07 0.00 0.00 0.00 179.25 179.73 1o94 h LEU 82 N 1.16 1.04 -0.56 0.00 3.38 -0.04 -0.88 115.31 119.40 1o94 h LEU 82 Ca 0.28 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1o94 h LEU 82 Cb 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1o94 h LEU 82 CO -0.04 1.02 -0.68 0.16 0.09 0.00 0.00 178.44 178.98 1o94 h ILE 83 N 1.02 1.43 -0.34 1.22 -0.00 -0.69 -0.48 117.51 119.67 1o94 h ILE 83 Ca 0.21 -2.20 -0.08 0.00 -0.00 0.00 0.00 64.86 62.78 1o94 h ILE 83 Cb 0.41 2.16 -0.02 0.00 -0.00 0.00 0.00 36.82 39.38 1o94 h ILE 83 CO 0.01 0.64 -0.13 0.00 -0.00 0.00 0.00 178.15 178.67 1o94 h ALA 84 N 1.16 1.14 -0.29 0.16 0.00 -1.09 -0.25 119.26 120.09 1o94 h ALA 84 Ca -0.02 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1o94 h ALA 84 Cb 1.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1o94 h ALA 84 CO 0.10 0.54 -0.43 0.00 0.00 0.00 0.00 179.25 179.46 1o94 h ALA 85 N 1.32 0.45 -0.01 0.00 0.00 -0.90 -3.34 119.26 116.78 1o94 h ALA 85 Ca 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1o94 h ALA 85 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1o94 h ALA 85 CO 0.03 0.58 -0.73 0.72 0.00 0.00 0.00 179.25 179.85 1o94 n HIS 86 N -4.11 0.00 -4.23 0.00 8.25 -0.21 -5.01 115.22 109.91 1o94 n HIS 86 Ca -0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.11 1o94 n HIS 86 Cb 0.56 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.59 1o94 n HIS 86 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1o94 n ASN 87 N -0.87 0.59 -4.77 0.41 6.94 -0.11 -4.82 115.26 112.63 1o94 n ASN 87 Ca 0.06 -1.22 -0.40 0.00 -0.02 0.00 0.00 54.58 53.00 1o94 n ASN 87 Cb 0.37 -1.52 0.02 0.00 -2.36 0.00 0.00 39.78 36.29 1o94 n ASN 87 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1o94 s PRO 88 N -7.20 3.69 0.14 -0.53 0.04 -1.26 -4.68 135.00 125.20 1o94 s PRO 88 Ca 0.03 2.42 -0.10 0.00 0.04 0.00 0.00 61.00 63.39 1o94 s PRO 88 Cb -0.02 -2.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 1o94 s PRO 88 CO 0.95 -0.81 1.42 0.66 0.04 0.00 0.00 177.00 179.26 1o94 h SER 89 N 2.33 0.92 -3.78 6.66 4.64 -1.44 -3.40 113.55 119.49 1o94 h SER 89 Ca -0.51 -0.50 -0.38 0.00 -0.47 0.00 0.00 61.79 59.93 1o94 h SER 89 Cb 1.27 -0.26 -0.31 0.00 -0.31 0.00 0.00 62.40 62.78 1o94 h SER 89 CO 0.61 1.28 -0.77 -0.69 -0.87 0.00 0.00 176.83 176.39 1o94 s VAL 90 N -4.11 0.58 -0.15 0.95 1.01 -1.25 -1.75 120.40 115.70 1o94 s VAL 90 Ca -0.10 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1o94 s VAL 90 Cb 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1o94 s VAL 90 CO 0.88 0.19 -0.18 0.54 0.00 0.00 0.00 175.10 176.53 1o94 s VAL 91 N 0.23 2.42 -0.21 2.92 0.11 0.05 -0.95 120.40 124.97 1o94 s VAL 91 Ca -0.03 -0.86 -0.07 0.00 -2.93 0.00 0.00 61.98 58.09 1o94 s VAL 91 Cb -0.07 -2.00 -0.03 0.00 -1.53 0.00 0.00 36.38 32.74 1o94 s VAL 91 CO 0.00 0.53 0.06 -0.76 -3.33 0.00 0.00 175.10 171.60 1o94 s LEU 92 N 0.78 3.61 0.12 2.54 1.43 0.84 -0.55 118.68 127.45 1o94 s LEU 92 Ca -0.07 -0.06 0.10 0.00 -1.03 0.00 0.00 54.13 53.07 1o94 s LEU 92 Cb -0.16 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1o94 s LEU 92 CO -0.00 0.09 -0.24 -0.76 0.23 0.00 0.00 176.35 175.66 1o94 s LEU 93 N 0.89 2.32 0.31 1.79 1.02 -0.56 -1.54 118.68 122.91 1o94 s LEU 93 Ca 0.03 -0.74 -0.29 0.00 0.02 0.00 0.00 54.13 53.16 1o94 s LEU 93 Cb -0.14 -1.08 -0.10 0.00 0.02 0.00 0.00 46.19 44.89 1o94 s LEU 93 CO 0.02 0.13 1.29 -2.16 0.02 0.00 0.00 176.35 175.65 1o94 s PRO 94 N -2.06 4.39 -1.13 1.29 0.04 -1.26 -0.07 135.00 136.19 1o94 s PRO 94 Ca 0.12 2.16 -0.21 0.00 0.04 0.00 0.00 61.00 63.10 1o94 s PRO 94 Cb -0.10 -3.10 0.05 0.00 0.04 0.00 0.00 34.50 31.40 1o94 s PRO 94 CO 0.06 -0.15 1.60 -1.58 0.04 0.00 0.00 177.00 176.96 1o94 s HIS 95 N -0.99 2.59 0.28 0.56 2.46 0.84 -4.49 115.29 116.54 1o94 s HIS 95 Ca 0.49 -1.07 0.03 0.00 0.47 0.00 0.00 55.06 54.99 1o94 s HIS 95 Cb -0.39 -4.68 -0.06 0.00 -0.13 0.00 0.00 32.58 27.33 1o94 s HIS 95 CO 0.50 -1.86 0.04 -1.54 -2.47 0.00 0.00 174.74 169.41 1o94 s SER 96 N 4.84 1.97 0.29 9.88 1.04 -1.26 -4.66 113.70 125.79 1o94 s SER 96 Ca 0.51 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1o94 s SER 96 Cb 0.01 -0.01 0.50 0.00 0.10 0.00 0.00 66.02 66.63 1o94 s SER 96 CO -0.02 -0.58 1.90 0.58 0.98 0.00 0.00 173.24 176.10 1o94 h VAL 97 N 2.30 1.06 0.15 5.02 2.07 -2.00 -0.76 116.25 124.09 1o94 h VAL 97 Ca -0.39 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 1o94 h VAL 97 Cb 1.24 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1o94 h VAL 97 CO 0.66 0.19 -0.08 0.44 0.02 0.00 0.00 177.57 178.81 1o94 h ASP 98 N 1.06 -0.18 -0.33 0.57 3.32 -1.96 -2.02 116.42 116.87 1o94 h ASP 98 Ca 0.41 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.53 1o94 h ASP 98 Cb 0.21 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1o94 h ASP 98 CO -0.16 -0.13 0.23 0.28 -1.72 0.00 0.00 179.24 177.74 1o94 h SER 99 N -0.21 0.14 0.11 6.45 0.02 -1.58 -1.23 113.55 117.26 1o94 h SER 99 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1o94 h SER 99 Cb 0.16 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1o94 h SER 99 CO 0.03 0.09 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.71 1o94 h LEU 100 N 0.16 0.00 -0.27 5.07 3.38 -0.40 -0.30 115.31 122.95 1o94 h LEU 100 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1o94 h LEU 100 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1o94 h LEU 100 CO -0.02 0.03 0.00 1.23 0.09 0.00 0.00 178.44 179.77 1o94 h GLY 101 N 0.25 0.00 0.00 0.83 0.00 -1.17 -3.40 103.07 99.58 1o94 h GLY 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o94 h GLY 101 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.12 1o94 n TYR 102 N -2.32 0.00 -0.18 5.60 0.18 -0.83 -4.79 117.16 114.82 1o94 n TYR 102 Ca 0.04 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.82 1o94 n TYR 102 Cb 0.37 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.41 1o94 n TYR 102 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1o94 h ALA 103 N 0.00 0.59 0.00 -3.48 0.00 -1.29 0.95 119.26 116.02 1o94 h ALA 103 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1o94 h ALA 103 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1o94 h ALA 103 CO 0.00 -0.35 0.00 -1.13 0.00 0.00 0.00 179.25 177.77 1o94 n SER 104 N -5.18 0.36 -0.13 0.00 3.41 -1.26 -2.34 113.62 108.48 1o94 n SER 104 Ca 0.07 0.54 -0.12 0.00 -0.26 0.00 0.00 58.87 59.11 1o94 n SER 104 Cb 0.30 -0.64 -0.02 0.00 -0.26 0.00 0.00 64.21 63.59 1o94 n SER 104 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1o94 h SER 105 N 0.00 0.86 -0.32 4.04 4.64 -1.18 -2.76 113.55 118.84 1o94 h SER 105 Ca 0.00 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1o94 h SER 105 Cb 0.54 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1o94 h SER 105 CO 0.00 1.09 0.21 0.25 -0.87 0.00 0.00 176.83 177.51 1o94 h LEU 106 N 0.64 0.36 0.00 5.97 5.85 -1.27 -2.89 115.31 123.97 1o94 h LEU 106 Ca 0.08 -0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.52 1o94 h LEU 106 Cb 0.78 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1o94 h LEU 106 CO 0.06 0.26 -1.65 0.00 -0.34 0.00 0.00 178.44 176.78 1o94 h ALA 107 N 1.80 0.75 -0.51 1.25 0.00 -1.54 -3.38 119.26 117.63 1o94 h ALA 107 Ca 0.12 -1.38 -0.06 0.00 0.00 0.00 0.00 54.91 53.59 1o94 h ALA 107 Cb -0.04 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1o94 h ALA 107 CO -0.03 1.50 0.10 0.77 0.00 0.00 0.00 179.25 181.60 1o94 h SER 108 N 0.00 0.80 -0.63 0.00 0.02 -1.26 -2.94 113.55 109.54 1o94 h SER 108 Ca -0.26 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1o94 h SER 108 Cb 1.96 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 64.25 1o94 h SER 108 CO 0.08 0.85 0.38 0.11 -1.14 0.00 0.00 176.83 177.10 1o94 h LYS 109 N 0.73 0.87 0.00 3.45 1.57 -1.75 -3.42 116.57 118.02 1o94 h LYS 109 Ca 0.16 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1o94 h LYS 109 Cb 0.37 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1o94 h LYS 109 CO 0.01 0.61 -1.91 0.25 -0.57 0.00 0.00 179.45 177.84 1o94 n THR 110 N -4.40 0.23 -2.52 -0.16 -2.24 -1.11 -4.96 114.28 99.12 1o94 n THR 110 Ca 0.06 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 1o94 n THR 110 Cb 0.08 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.19 1o94 n THR 110 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1o94 s GLY 111 N -4.60 1.32 0.76 3.38 0.00 -1.26 -5.05 107.32 101.86 1o94 s GLY 111 Ca -0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.32 1o94 s GLY 111 CO 0.89 2.50 1.09 -0.19 0.00 0.00 0.00 173.10 177.39 1o94 s TYR 112 N 4.49 2.57 0.68 1.90 2.02 -1.25 -5.02 117.35 122.75 1o94 s TYR 112 Ca 0.52 1.56 -0.17 0.00 -0.37 0.00 0.00 57.07 58.61 1o94 s TYR 112 Cb -0.11 -3.07 -0.01 0.00 -0.40 0.00 0.00 41.96 38.37 1o94 s TYR 112 CO 0.27 -1.80 0.97 0.41 -1.57 0.00 0.00 175.55 173.83 1o94 n GLY 113 N -1.10 -0.38 3.59 0.71 0.00 -0.56 -4.86 105.19 102.58 1o94 n GLY 113 Ca 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1o94 n GLY 113 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1o94 s PHE 114 N -1.71 -1.16 -0.01 1.61 5.36 -1.25 -0.59 117.98 120.23 1o94 s PHE 114 Ca 0.75 2.13 -0.05 0.00 -0.96 0.00 0.00 56.93 58.80 1o94 s PHE 114 Cb -0.37 0.67 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 1o94 s PHE 114 CO 0.49 -0.59 0.10 0.00 -1.46 0.00 0.00 175.22 173.76 1o94 s ALA 115 N 2.36 -0.24 0.28 11.12 0.00 -0.98 -5.01 121.76 129.29 1o94 s ALA 115 Ca -0.07 -0.04 0.09 0.00 0.00 0.00 0.00 51.96 51.94 1o94 s ALA 115 Cb -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1o94 s ALA 115 CO -0.18 -0.14 0.07 0.95 0.00 0.00 0.00 175.76 176.45 1o94 s THR 116 N -0.86 3.60 -1.34 0.00 -4.23 -1.26 -1.73 115.64 109.82 1o94 s THR 116 Ca -0.09 -1.76 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1o94 s THR 116 Cb -0.05 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1o94 s THR 116 CO 0.01 -0.34 0.61 -0.67 -0.54 0.00 0.00 174.62 173.69 1o94 n ASP 117 N -1.01 -0.90 -4.75 3.99 2.03 -0.85 -4.85 116.55 110.21 1o94 n ASP 117 Ca -0.06 -0.88 -0.40 0.00 0.52 0.00 0.00 54.79 53.98 1o94 n ASP 117 Cb 0.59 -3.76 -0.05 0.00 -0.72 0.00 0.00 41.12 37.18 1o94 n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1o94 s VAL 118 N -3.76 4.76 0.00 5.18 1.01 -0.45 -4.53 120.40 122.62 1o94 s VAL 118 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1o94 s VAL 118 Cb -0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1o94 s VAL 118 CO 0.83 0.38 0.16 0.00 0.00 0.00 0.00 175.10 176.48 1o94 n TYR 119 N 2.74 0.00 -4.16 5.22 0.18 -0.63 -1.28 117.16 119.23 1o94 n TYR 119 Ca -0.04 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.57 1o94 n TYR 119 Cb 0.50 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.31 1o94 n TYR 119 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1o94 s ILE 120 N -0.45 0.46 -0.11 -3.48 1.01 -1.19 -4.97 121.20 112.48 1o94 s ILE 120 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1o94 s ILE 120 Cb 0.00 -0.44 0.05 0.00 0.01 0.00 0.00 42.46 42.08 1o94 s ILE 120 CO 0.00 0.17 0.25 0.54 0.00 0.00 0.00 174.94 175.90 1o94 s VAL 121 N 0.35 -0.04 0.04 2.92 0.11 -1.26 -0.03 120.40 122.49 1o94 s VAL 121 Ca -0.04 0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 59.09 1o94 s VAL 121 Cb -0.08 -0.39 -0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1o94 s VAL 121 CO -0.00 0.06 0.10 -1.61 -3.33 0.00 0.00 175.10 170.32 1o94 s GLU 122 N 1.22 0.60 -0.10 1.54 2.02 -0.42 -4.91 118.70 118.64 1o94 s GLU 122 Ca -0.09 -0.75 -0.08 0.00 0.02 0.00 0.00 54.97 54.06 1o94 s GLU 122 Cb -0.10 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.32 1o94 s GLU 122 CO -0.08 -0.15 0.19 0.71 0.02 0.00 0.00 175.26 175.94 1o94 s TYR 123 N -2.64 3.62 -0.42 1.61 1.51 -1.26 -0.71 117.35 119.07 1o94 s TYR 123 Ca -0.05 0.61 0.03 0.00 -1.01 0.00 0.00 57.07 56.65 1o94 s TYR 123 Cb -0.01 -2.00 0.11 0.00 -0.11 0.00 0.00 41.96 39.96 1o94 s TYR 123 CO -0.05 0.72 0.15 -0.65 -1.11 0.00 0.00 175.55 174.62 1o94 s GLN 124 N -1.06 1.74 7.08 -0.62 -0.21 0.06 -4.96 119.66 121.70 1o94 s GLN 124 Ca 0.17 -2.13 0.00 0.00 0.02 0.00 0.00 55.36 53.42 1o94 s GLN 124 Cb -0.13 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.57 1o94 s GLN 124 CO 0.06 -1.02 0.00 0.41 -2.12 0.00 0.00 175.29 172.62 1o94 n GLY 125 N 3.91 1.76 1.17 3.09 0.00 -1.26 -2.49 105.19 111.37 1o94 n GLY 125 Ca 0.04 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1o94 n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o94 n ASP 126 N 7.45 3.49 -4.55 1.61 8.00 -1.26 -4.92 116.55 126.37 1o94 n ASP 126 Ca 0.00 -2.00 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 1o94 n ASP 126 Cb 0.00 -0.25 -0.10 0.00 -0.02 0.00 0.00 41.12 40.74 1o94 n ASP 126 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1o94 s GLU 127 N -1.48 3.65 0.07 -1.24 2.56 -1.04 -5.06 118.70 116.16 1o94 s GLU 127 Ca 0.39 -0.50 -0.31 0.00 0.00 0.00 0.00 54.97 54.55 1o94 s GLU 127 Cb 0.23 -3.76 -0.07 0.00 2.00 0.00 0.00 34.13 32.53 1o94 s GLU 127 CO 0.32 -0.37 1.32 -1.17 -0.56 0.00 0.00 175.26 174.80 1o94 s LEU 128 N 1.78 4.36 -0.11 2.70 2.96 -1.26 -0.76 118.68 128.34 1o94 s LEU 128 Ca 0.07 2.16 0.02 0.00 -0.22 0.00 0.00 54.13 56.17 1o94 s LEU 128 Cb -0.17 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.96 1o94 s LEU 128 CO 0.11 -0.60 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.68 1o94 s VAL 129 N 1.38 1.62 0.01 1.68 1.01 0.11 -4.12 120.40 122.10 1o94 s VAL 129 Ca 0.62 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.96 1o94 s VAL 129 Cb -0.33 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1o94 s VAL 129 CO 0.29 0.46 -0.25 0.00 0.00 0.00 0.00 175.10 175.60 1o94 s ALA 130 N 0.88 2.13 -0.13 5.51 0.00 -0.53 -1.31 121.76 128.31 1o94 s ALA 130 Ca -0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1o94 s ALA 130 Cb -0.15 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1o94 s ALA 130 CO -0.00 0.51 -0.11 0.99 0.00 0.00 0.00 175.76 177.15 1o94 s THR 131 N -0.69 3.27 0.39 0.00 2.01 0.95 -0.38 115.64 121.19 1o94 s THR 131 Ca 0.10 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1o94 s THR 131 Cb -0.10 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1o94 s THR 131 CO 0.00 0.52 0.10 0.00 -0.69 0.00 0.00 174.62 174.55 1o94 s ARG 132 N 0.33 1.85 0.57 4.92 1.70 -0.30 -1.60 118.95 126.41 1o94 s ARG 132 Ca -0.09 -2.10 -0.16 0.00 -0.47 0.00 0.00 55.73 52.91 1o94 s ARG 132 Cb -0.15 -0.72 -0.05 0.00 -0.57 0.00 0.00 34.95 33.46 1o94 s ARG 132 CO 0.05 -0.39 1.03 0.20 -1.08 0.00 0.00 175.30 175.11 1o94 s GLY 133 N -3.58 2.05 0.17 3.88 0.00 -1.26 -0.10 107.32 108.48 1o94 s GLY 133 Ca 0.27 0.27 0.03 0.00 0.00 0.00 0.00 44.72 45.29 1o94 s GLY 133 CO 0.14 0.57 -0.05 -0.32 0.00 0.00 0.00 173.10 173.44 1o94 s GLY 134 N -3.02 1.19 -1.15 0.20 0.00 -0.67 -4.65 107.32 99.22 1o94 s GLY 134 Ca 0.61 -1.57 -0.20 0.00 0.00 0.00 0.00 44.72 43.56 1o94 s GLY 134 CO 0.36 -1.58 0.77 -1.72 0.00 0.00 0.00 173.10 170.94 1o94 n TYR 135 N -0.24 -1.88 -3.82 1.90 4.02 -1.26 -1.10 117.16 114.78 1o94 n TYR 135 Ca -0.08 0.45 -0.27 0.00 -0.01 0.00 0.00 57.90 57.99 1o94 n TYR 135 Cb 0.62 -3.43 0.03 0.00 -0.02 0.00 0.00 39.34 36.54 1o94 n TYR 135 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1o94 n ASN 136 N -2.67 -4.00 0.00 7.72 5.15 -1.26 -1.73 115.26 118.48 1o94 n ASN 136 Ca -0.10 -0.76 0.00 0.00 -0.60 0.00 0.00 54.58 53.11 1o94 n ASN 136 Cb 0.59 -4.06 0.00 0.00 -0.53 0.00 0.00 39.78 35.78 1o94 n ASN 136 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1o94 n GLN 137 N -4.61 -0.70 0.21 1.20 1.13 -0.26 -4.88 117.38 109.48 1o94 n GLN 137 Ca -0.05 0.18 0.14 0.00 -1.94 0.00 0.00 57.00 55.32 1o94 n GLN 137 Cb 0.57 -3.71 0.40 0.00 0.11 0.00 0.00 30.24 27.61 1o94 n GLN 137 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1o94 h LYS 138 N 0.68 0.00 -5.49 -1.09 1.57 -0.38 -3.45 116.57 108.41 1o94 h LYS 138 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 1o94 h LYS 138 Cb 0.35 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.52 1o94 h LYS 138 CO 0.00 0.00 -0.69 0.14 -0.57 0.00 0.00 179.45 178.33 1o94 s VAL 139 N -3.34 1.62 0.01 0.50 -7.23 -0.94 -5.02 120.40 106.01 1o94 s VAL 139 Ca 0.05 -2.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.03 1o94 s VAL 139 Cb 0.08 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 1o94 s VAL 139 CO 0.59 -0.39 0.24 0.20 -0.31 0.00 0.00 175.10 175.44 1o94 s ASN 140 N -3.39 6.45 -0.13 4.85 -0.87 -1.26 -1.67 114.94 118.92 1o94 s ASN 140 Ca 0.27 0.48 0.01 0.00 -1.57 0.00 0.00 52.86 52.05 1o94 s ASN 140 Cb 0.03 -2.06 0.02 0.00 -0.02 0.00 0.00 41.25 39.22 1o94 s ASN 140 CO 0.10 0.24 -0.13 -0.69 -2.57 0.00 0.00 177.10 174.05 1o94 s VAL 141 N -1.33 1.43 -0.20 1.60 1.01 0.85 -4.81 120.40 118.95 1o94 s VAL 141 Ca 0.28 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 1o94 s VAL 141 Cb -0.13 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1o94 s VAL 141 CO 0.18 0.43 0.19 -1.61 0.00 0.00 0.00 175.10 174.29 1o94 s GLU 142 N 1.35 4.17 0.16 2.72 2.02 -1.26 -1.15 118.70 126.71 1o94 s GLU 142 Ca 0.01 -0.14 0.06 0.00 0.02 0.00 0.00 54.97 54.92 1o94 s GLU 142 Cb -0.13 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 1o94 s GLU 142 CO -0.07 0.20 -0.14 0.14 0.02 0.00 0.00 175.26 175.42 1o94 s VAL 143 N 0.62 1.47 0.34 2.63 -7.23 0.48 -4.98 120.40 113.73 1o94 s VAL 143 Ca 0.10 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 1o94 s VAL 143 Cb -0.12 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 1o94 s VAL 143 CO 0.01 -0.54 0.24 -0.90 -0.31 0.00 0.00 175.10 173.60 1o94 n ASP 144 N 0.04 -0.24 -3.22 4.85 5.68 -1.26 -1.46 116.55 120.94 1o94 n ASP 144 Ca -0.12 -3.10 -0.24 0.00 -0.50 0.00 0.00 54.79 50.84 1o94 n ASP 144 Cb 0.59 1.46 -0.07 0.00 -1.14 0.00 0.00 41.12 41.96 1o94 n ASP 144 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1o94 n PHE 145 N -0.67 0.45 -1.64 2.11 3.01 -1.26 -5.03 117.46 114.43 1o94 n PHE 145 Ca 0.04 -3.70 -0.45 0.00 1.01 0.00 0.00 57.45 54.36 1o94 n PHE 145 Cb 0.58 -0.40 -0.04 0.00 -0.01 0.00 0.00 39.48 39.62 1o94 n PHE 145 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1o94 n PRO 146 N 1.13 2.36 -0.65 -1.08 -0.02 -1.26 -2.08 135.00 133.40 1o94 n PRO 146 Ca 0.23 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1o94 n PRO 146 Cb 0.52 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1o94 n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o94 n GLY 147 N 4.90 0.69 3.61 -1.23 0.00 -1.26 -5.03 105.19 106.88 1o94 n GLY 147 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1o94 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o94 s LYS 148 N -0.35 4.02 0.23 1.61 -0.14 -0.88 -4.94 119.74 119.30 1o94 s LYS 148 Ca 0.00 0.06 0.06 0.00 -1.36 0.00 0.00 55.97 54.74 1o94 s LYS 148 Cb 0.00 -3.65 0.21 0.00 -1.68 0.00 0.00 37.83 32.71 1o94 s LYS 148 CO 0.00 -0.28 1.53 0.77 -0.76 0.00 0.00 175.35 176.61 1o94 h SER 149 N 8.15 0.15 -3.33 2.83 0.02 -1.91 -3.43 113.55 116.03 1o94 h SER 149 Ca -0.31 -0.10 -0.53 0.00 -0.84 0.00 0.00 61.79 60.01 1o94 h SER 149 Cb 1.16 -0.05 -0.35 0.00 0.14 0.00 0.00 62.40 63.31 1o94 h SER 149 CO 0.65 0.79 -0.81 -0.89 -1.14 0.00 0.00 176.83 175.43 1o94 s THR 150 N -3.53 1.14 -0.16 -2.27 2.01 -1.26 -4.26 115.64 107.32 1o94 s THR 150 Ca -0.02 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1o94 s THR 150 Cb 0.12 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.56 1o94 s THR 150 CO 0.79 0.37 -0.20 -0.69 -0.69 0.00 0.00 174.62 174.20 1o94 s VAL 151 N 1.02 2.16 -0.25 3.82 1.01 -0.72 -1.49 120.40 125.96 1o94 s VAL 151 Ca -0.08 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 1o94 s VAL 151 Cb -0.15 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1o94 s VAL 151 CO -0.01 0.54 0.25 -0.69 0.00 0.00 0.00 175.10 175.20 1o94 s VAL 152 N 0.97 5.28 -0.00 2.92 1.01 0.24 -0.77 120.40 130.04 1o94 s VAL 152 Ca -0.03 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.37 1o94 s VAL 152 Cb -0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1o94 s VAL 152 CO -0.05 0.27 -0.22 -0.76 0.00 0.00 0.00 175.10 174.34 1o94 s LEU 153 N 1.49 2.34 -0.03 3.92 1.43 0.29 -2.31 118.68 125.81 1o94 s LEU 153 Ca 0.11 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1o94 s LEU 153 Cb -0.15 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1o94 s LEU 153 CO 0.08 0.30 0.21 0.42 0.23 0.00 0.00 176.35 177.60 1o94 s THR 154 N -0.73 5.39 -0.12 5.49 -4.23 -0.71 -1.49 115.64 119.24 1o94 s THR 154 Ca 0.12 0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1o94 s THR 154 Cb -0.10 -3.52 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 1o94 s THR 154 CO 0.01 0.42 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.79 1o94 s ILE 155 N -1.23 3.38 0.18 2.99 -1.09 0.90 -1.34 121.20 124.99 1o94 s ILE 155 Ca 0.24 -0.55 -0.32 0.00 -2.23 0.00 0.00 60.65 57.79 1o94 s ILE 155 Cb -0.13 -2.43 -0.11 0.00 -1.58 0.00 0.00 42.46 38.22 1o94 s ILE 155 CO 0.14 0.53 1.62 -0.60 -1.23 0.00 0.00 174.94 175.40 1o94 s ARG 156 N 0.10 4.18 0.66 2.79 3.52 -0.40 -0.11 118.95 129.70 1o94 s ARG 156 Ca -0.04 2.44 -0.15 0.00 -0.13 0.00 0.00 55.73 57.86 1o94 s ARG 156 Cb -0.14 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1o94 s ARG 156 CO 0.04 -0.66 1.10 -2.14 -0.81 0.00 0.00 175.30 172.83 1o94 s PRO 157 N 1.14 2.81 -1.86 5.12 0.02 -1.26 -3.86 135.00 137.11 1o94 s PRO 157 Ca 0.72 1.34 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1o94 s PRO 157 Cb -0.46 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.11 1o94 s PRO 157 CO 0.32 -1.23 0.00 0.43 -0.33 0.00 0.00 177.00 176.18 1o94 n SER 158 N -2.50 -5.50 -0.06 2.53 7.64 -1.26 -4.88 113.62 109.59 1o94 n SER 158 Ca 0.10 0.21 -0.14 0.00 1.01 0.00 0.00 58.87 60.06 1o94 n SER 158 Cb 0.52 -4.63 -0.05 0.00 -1.01 0.00 0.00 64.21 59.05 1o94 n SER 158 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1o94 n VAL 159 N -3.29 0.79 -3.29 0.44 0.31 -1.25 -5.03 118.33 107.02 1o94 n VAL 159 Ca -0.22 -0.15 -0.38 0.00 -0.01 0.00 0.00 64.34 63.58 1o94 n VAL 159 Cb 0.66 -1.71 -0.06 0.00 -0.91 0.00 0.00 33.84 31.82 1o94 n VAL 159 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1o94 s PHE 160 N -2.26 3.79 -0.12 3.52 0.40 -1.26 -5.04 117.98 117.01 1o94 s PHE 160 Ca -0.18 1.25 -0.23 0.00 -0.60 0.00 0.00 56.93 57.17 1o94 s PHE 160 Cb 0.07 -2.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.09 1o94 s PHE 160 CO 0.23 0.59 0.68 -1.59 0.70 0.00 0.00 175.22 175.83 1o94 s LYS 161 N -1.15 4.36 0.59 0.44 0.00 -1.26 -4.69 119.74 118.03 1o94 s LYS 161 Ca 0.29 0.80 -0.19 0.00 0.00 0.00 0.00 55.97 56.87 1o94 s LYS 161 Cb -0.19 -3.50 -0.04 0.00 0.00 0.00 0.00 37.83 34.11 1o94 s LYS 161 CO 0.19 -0.06 1.18 -1.25 0.00 0.00 0.00 175.35 175.41 1o94 s PRO 162 N 1.24 3.04 0.76 1.78 0.04 -1.26 -4.41 135.00 136.18 1o94 s PRO 162 Ca 0.34 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 63.02 1o94 s PRO 162 Cb -0.17 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.47 1o94 s PRO 162 CO 0.15 -1.13 1.08 -0.51 0.04 0.00 0.00 177.00 176.62 1o94 s LEU 163 N -4.08 2.83 -0.05 -3.56 1.43 -1.26 -4.95 118.68 109.05 1o94 s LEU 163 Ca 0.76 1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 55.33 1o94 s LEU 163 Cb -0.28 -4.20 -0.04 0.00 0.03 0.00 0.00 46.19 41.70 1o94 s LEU 163 CO 0.32 -1.80 0.04 -1.83 0.23 0.00 0.00 176.35 173.32 1o94 s GLU 164 N -5.08 3.02 0.00 1.70 4.04 -1.26 -4.92 118.70 116.20 1o94 s GLU 164 Ca 0.60 -0.44 0.00 0.00 0.04 0.00 0.00 54.97 55.17 1o94 s GLU 164 Cb -0.15 -2.83 0.00 0.00 0.02 0.00 0.00 34.13 31.17 1o94 s GLU 164 CO 0.55 0.68 0.00 0.41 -1.84 0.00 0.00 175.26 175.06 1o94 n GLY 165 N 1.69 0.70 3.93 -3.83 0.00 -1.26 -4.63 105.19 101.79 1o94 n GLY 165 Ca -0.16 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.50 1o94 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o94 s ALA 166 N -1.25 3.24 0.21 4.61 0.00 -1.26 -1.18 121.76 126.12 1o94 s ALA 166 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1o94 s ALA 166 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 1o94 s ALA 166 CO 0.00 -1.14 0.28 0.20 0.00 0.00 0.00 175.76 175.10 1o94 s GLY 167 N -4.46 0.90 -0.47 0.00 0.00 -0.90 -2.72 107.32 99.67 1o94 s GLY 167 Ca 0.58 -1.23 0.07 0.00 0.00 0.00 0.00 44.72 44.15 1o94 s GLY 167 CO 0.44 -1.00 0.60 1.44 0.00 0.00 0.00 173.10 174.57 1o94 n SER 168 N -0.29 1.37 -4.75 1.64 7.64 -1.26 -4.28 113.62 113.69 1o94 n SER 168 Ca -0.01 -2.94 -0.36 0.00 1.01 0.00 0.00 58.87 56.57 1o94 n SER 168 Cb 0.64 -0.65 0.04 0.00 -1.01 0.00 0.00 64.21 63.23 1o94 n SER 168 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1o94 s PRO 169 N -1.61 2.89 -0.11 1.43 0.04 -1.24 -4.96 135.00 131.44 1o94 s PRO 169 Ca 0.37 1.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 1o94 s PRO 169 Cb 0.16 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1o94 s PRO 169 CO -0.08 -1.26 1.50 0.08 0.04 0.00 0.00 177.00 177.28 1o94 s VAL 170 N -1.65 3.86 -0.17 -0.36 1.01 -0.36 -4.81 120.40 117.91 1o94 s VAL 170 Ca 0.77 1.03 -0.09 0.00 0.00 0.00 0.00 61.98 63.69 1o94 s VAL 170 Cb -0.30 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1o94 s VAL 170 CO 0.34 -0.12 0.12 -0.69 0.00 0.00 0.00 175.10 174.76 1o94 s VAL 171 N 3.96 5.33 0.13 2.92 1.01 -1.26 -0.54 120.40 131.95 1o94 s VAL 171 Ca 0.66 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.84 1o94 s VAL 171 Cb -0.28 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1o94 s VAL 171 CO 0.24 0.49 -0.10 -0.94 0.00 0.00 0.00 175.10 174.79 1o94 s SER 172 N -0.04 1.69 -0.05 3.32 1.04 -0.17 -4.97 113.70 114.52 1o94 s SER 172 Ca 0.09 -0.95 0.06 0.00 0.48 0.00 0.00 55.95 55.63 1o94 s SER 172 Cb -0.11 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 1o94 s SER 172 CO -0.00 -0.31 -0.24 0.20 0.98 0.00 0.00 173.24 173.87 1o94 s ASN 173 N -2.94 2.95 0.08 7.02 0.01 -1.26 -1.01 114.94 119.80 1o94 s ASN 173 Ca 0.13 -0.49 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 1o94 s ASN 173 Cb 0.01 -0.77 -0.03 0.00 0.41 0.00 0.00 41.25 40.87 1o94 s ASN 173 CO 0.00 0.24 -0.08 0.68 -1.51 0.00 0.00 177.10 176.43 1o94 s VAL 174 N -0.18 0.75 0.11 1.60 -7.23 -0.20 -4.96 120.40 110.29 1o94 s VAL 174 Ca -0.02 -1.60 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 1o94 s VAL 174 Cb -0.13 -1.28 -0.07 0.00 0.56 0.00 0.00 36.38 35.46 1o94 s VAL 174 CO 0.03 -0.62 0.52 -1.81 -0.31 0.00 0.00 175.10 172.91 1o94 s ASP 175 N -2.43 6.86 0.69 4.85 1.01 -1.26 -1.22 116.67 125.17 1o94 s ASP 175 Ca 0.04 1.08 -0.16 0.00 0.71 0.00 0.00 52.55 54.22 1o94 s ASP 175 Cb -0.02 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.64 1o94 s ASP 175 CO -0.02 0.17 1.20 0.00 0.21 0.00 0.00 175.17 176.73 1o94 s ALA 176 N -1.34 2.26 0.19 5.23 0.00 0.77 -4.84 121.76 124.03 1o94 s ALA 176 Ca 0.34 0.88 -0.33 0.00 0.00 0.00 0.00 51.96 52.85 1o94 s ALA 176 Cb -0.16 -3.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.36 1o94 s ALA 176 CO 0.18 -1.65 1.32 -2.30 0.00 0.00 0.00 175.76 173.32 1o94 n PRO 177 N -2.42 1.63 -1.59 0.00 -0.02 -1.26 -4.82 135.00 126.53 1o94 n PRO 177 Ca 0.13 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 1o94 n PRO 177 Cb 0.50 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 1o94 n PRO 177 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1o94 n SER 178 N 2.25 6.20 -4.12 2.55 7.64 -1.26 -4.86 113.62 122.02 1o94 n SER 178 Ca 0.14 -2.75 -0.33 0.00 1.01 0.00 0.00 58.87 56.94 1o94 n SER 178 Cb 0.27 -1.60 -0.16 0.00 -1.01 0.00 0.00 64.21 61.72 1o94 n SER 178 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1o94 s VAL 179 N 2.47 2.18 0.27 0.44 1.01 -1.26 -5.09 120.40 120.42 1o94 s VAL 179 Ca 0.57 -1.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 1o94 s VAL 179 Cb 0.16 -2.03 -0.13 0.00 0.00 0.00 0.00 36.38 34.38 1o94 s VAL 179 CO -0.07 0.36 1.45 1.67 0.00 0.00 0.00 175.10 178.51 1o94 n GLN 180 N 4.58 2.23 -2.39 2.72 0.00 -1.26 -4.93 117.38 118.33 1o94 n GLN 180 Ca -0.19 0.79 -0.37 0.00 -0.00 0.00 0.00 57.00 57.24 1o94 n GLN 180 Cb 0.48 -2.48 -0.02 0.00 0.00 0.00 0.00 30.24 28.21 1o94 n GLN 180 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1o94 s SER 181 N 0.28 6.46 -0.00 1.69 0.15 -1.26 -4.96 113.70 116.06 1o94 s SER 181 Ca 0.66 2.18 0.06 0.00 0.70 0.00 0.00 55.95 59.54 1o94 s SER 181 Cb -0.60 -2.59 0.17 0.00 -1.71 0.00 0.00 66.02 61.29 1o94 s SER 181 CO 0.51 -0.71 1.14 0.54 1.20 0.00 0.00 173.24 175.91 1o94 n ARG 182 N -0.28 1.45 -4.20 5.44 1.74 -1.26 -4.80 116.66 114.75 1o94 n ARG 182 Ca 0.06 -0.69 -0.12 0.00 -0.77 0.00 0.00 57.85 56.33 1o94 n ARG 182 Cb 0.49 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.67 1o94 n ARG 182 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1o94 s SER 183 N -0.99 0.17 -0.04 0.55 1.04 -1.26 -5.15 113.70 108.02 1o94 s SER 183 Ca 0.13 -1.38 -0.01 0.00 0.48 0.00 0.00 55.95 55.16 1o94 s SER 183 Cb 0.07 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1o94 s SER 183 CO 0.09 -0.83 0.06 -1.58 0.98 0.00 0.00 173.24 171.95 1o94 s GLN 184 N -4.15 -0.04 0.29 4.02 2.00 -1.26 -5.08 119.66 115.44 1o94 s GLN 184 Ca 0.38 0.30 -0.29 0.00 -2.00 0.00 0.00 55.36 53.75 1o94 s GLN 184 Cb 0.07 -0.34 -0.10 0.00 0.80 0.00 0.00 33.01 33.45 1o94 s GLN 184 CO 0.12 -0.23 1.29 -0.80 -0.50 0.00 0.00 175.29 175.16 1o94 s ASN 185 N 1.55 6.86 0.00 6.67 0.01 -1.26 -5.03 114.94 123.74 1o94 s ASN 185 Ca -0.03 2.57 0.00 0.00 -0.71 0.00 0.00 52.86 54.69 1o94 s ASN 185 Cb -0.12 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.90 1o94 s ASN 185 CO -0.03 -0.49 0.00 0.29 -1.51 0.00 0.00 177.10 175.35 1o94 n LYS 186 N 1.37 2.47 -2.75 -0.60 4.76 -1.26 -5.11 118.16 117.04 1o94 n LYS 186 Ca 0.02 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.17 1o94 n LYS 186 Cb 0.42 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.59 1o94 n LYS 186 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1o94 s ASP 187 N 0.43 6.41 0.47 4.39 1.01 -1.26 -5.06 116.67 123.05 1o94 s ASP 187 Ca 0.00 1.05 -0.22 0.00 0.71 0.00 0.00 52.55 54.09 1o94 s ASP 187 Cb 0.00 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.56 1o94 s ASP 187 CO 0.00 -0.48 1.11 -0.31 0.21 0.00 0.00 175.17 175.70 1o94 s TYR 188 N -2.54 2.95 -0.18 4.23 1.51 -1.26 -5.31 117.35 116.76 1o94 s TYR 188 Ca 0.50 1.57 0.01 0.00 -1.01 0.00 0.00 57.07 58.14 1o94 s TYR 188 Cb -0.10 -3.24 0.01 0.00 -0.11 0.00 0.00 41.96 38.52 1o94 s TYR 188 CO 0.37 -1.18 0.55 1.33 -1.11 0.00 0.00 175.55 175.51