#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o95 s LYS 2 N 0.00 1.75 -0.07 0.00 1.02 -1.26 -2.14 119.74 119.04 1o95 s LYS 2 Ca 0.00 -1.15 0.03 0.00 0.02 0.00 0.00 55.97 54.88 1o95 s LYS 2 Cb 0.00 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1o95 s LYS 2 CO 0.00 0.50 -0.16 0.42 -0.92 0.00 0.00 175.35 175.19 1o95 s ILE 3 N -0.86 2.86 -0.16 2.17 1.01 -0.94 -0.95 121.20 124.32 1o95 s ILE 3 Ca 0.12 -0.78 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1o95 s ILE 3 Cb -0.10 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1o95 s ILE 3 CO 0.03 0.57 0.11 -0.22 0.00 0.00 0.00 174.94 175.44 1o95 s LEU 4 N -0.38 4.17 0.02 2.97 2.96 -0.66 0.01 118.68 127.77 1o95 s LEU 4 Ca 0.04 0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.31 1o95 s LEU 4 Cb -0.12 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1o95 s LEU 4 CO 0.02 0.28 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.43 1o95 s VAL 5 N -0.23 1.66 -0.21 1.68 1.01 0.03 -0.86 120.40 123.48 1o95 s VAL 5 Ca 0.10 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1o95 s VAL 5 Cb -0.12 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1o95 s VAL 5 CO 0.01 0.29 -0.14 -0.63 0.00 0.00 0.00 175.10 174.64 1o95 s ILE 6 N -0.70 2.47 0.63 2.22 -1.09 -1.10 -1.76 121.20 121.87 1o95 s ILE 6 Ca 0.08 -0.94 -0.06 0.00 -2.23 0.00 0.00 60.65 57.50 1o95 s ILE 6 Cb -0.09 -2.14 0.03 0.00 -1.58 0.00 0.00 42.46 38.69 1o95 s ILE 6 CO 0.01 0.40 0.94 0.00 -1.23 0.00 0.00 174.94 175.06 1o95 s ALA 7 N 1.31 3.28 -0.02 9.38 0.00 -0.44 -4.44 121.76 130.84 1o95 s ALA 7 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1o95 s ALA 7 Cb -0.15 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 1o95 s ALA 7 CO -0.09 -1.00 -0.08 -2.00 0.00 0.00 0.00 175.76 172.59 1o95 s GLU 8 N -5.08 0.77 0.23 0.00 2.12 -1.26 -4.76 118.70 110.73 1o95 s GLU 8 Ca 0.57 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.64 1o95 s GLU 8 Cb -0.11 -0.74 -0.05 0.00 0.26 0.00 0.00 34.13 33.49 1o95 s GLU 8 CO 0.44 0.13 0.06 -3.38 -0.54 0.00 0.00 175.26 171.97 1o95 s HIS 9 N 0.04 1.46 -0.21 5.30 -3.43 -1.26 -0.20 115.29 116.99 1o95 s HIS 9 Ca -0.00 -1.10 -0.27 0.00 -0.80 0.00 0.00 55.06 52.89 1o95 s HIS 9 Cb -0.06 -0.85 0.08 0.00 -1.43 0.00 0.00 32.58 30.32 1o95 s HIS 9 CO -0.00 -0.26 0.78 0.50 -2.00 0.00 0.00 174.74 173.77 1o95 s ARG 10 N -3.98 0.82 -0.39 -0.38 3.52 -0.28 -4.64 118.95 113.63 1o95 s ARG 10 Ca 0.33 0.69 -0.19 0.00 -0.13 0.00 0.00 55.73 56.43 1o95 s ARG 10 Cb 0.07 0.39 0.03 0.00 -1.56 0.00 0.00 34.95 33.88 1o95 s ARG 10 CO 0.10 -0.15 0.44 0.54 -0.81 0.00 0.00 175.30 175.42 1o95 n ARG 11 N 2.04 -1.23 -0.33 5.12 1.74 -1.26 -1.50 116.66 121.24 1o95 n ARG 11 Ca -0.15 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1o95 n ARG 11 Cb 0.56 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1o95 n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1o95 n ASN 12 N -0.38 0.00 -4.35 0.55 3.02 -1.26 -4.92 115.26 107.92 1o95 n ASN 12 Ca -0.11 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.11 1o95 n ASN 12 Cb 0.47 -1.79 -0.15 0.00 -0.61 0.00 0.00 39.78 37.70 1o95 n ASN 12 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1o95 s ASP 13 N -1.51 3.68 0.29 6.41 1.01 -0.56 -5.06 116.67 120.93 1o95 s ASP 13 Ca 0.00 -0.37 -0.29 0.00 0.71 0.00 0.00 52.55 52.60 1o95 s ASP 13 Cb 0.00 -1.24 -0.10 0.00 1.01 0.00 0.00 42.92 42.59 1o95 s ASP 13 CO 0.00 0.22 1.34 -0.22 0.21 0.00 0.00 175.17 176.72 1o95 s LEU 14 N -0.01 4.42 -0.05 1.23 2.96 -1.26 -1.12 118.68 124.85 1o95 s LEU 14 Ca -0.05 2.63 -0.15 0.00 -0.22 0.00 0.00 54.13 56.34 1o95 s LEU 14 Cb -0.15 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 1o95 s LEU 14 CO 0.05 -0.57 0.40 -0.13 -1.32 0.00 0.00 176.35 174.77 1o95 s ARG 15 N -1.14 4.03 0.22 1.98 0.52 0.72 -4.93 118.95 120.35 1o95 s ARG 15 Ca 0.53 0.36 -0.07 0.00 -0.52 0.00 0.00 55.73 56.03 1o95 s ARG 15 Cb -0.40 -3.29 0.36 0.00 0.52 0.00 0.00 34.95 32.15 1o95 s ARG 15 CO 0.48 0.53 1.25 -2.30 0.02 0.00 0.00 175.30 175.29 1o95 n PRO 16 N 2.40 -0.08 0.00 3.54 -0.02 -1.26 -1.24 135.00 138.34 1o95 n PRO 16 Ca -0.13 1.25 0.00 0.00 -2.02 0.00 0.00 63.50 62.61 1o95 n PRO 16 Cb 0.52 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1o95 n PRO 16 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1o95 n VAL 17 N -5.30 1.18 0.13 -1.45 3.14 -1.26 0.23 118.33 114.99 1o95 n VAL 17 Ca 0.13 0.39 -0.21 0.00 -2.96 0.00 0.00 64.34 61.69 1o95 n VAL 17 Cb 0.40 -1.39 -0.15 0.00 -1.06 0.00 0.00 33.84 31.63 1o95 n VAL 17 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1o95 h SER 18 N 0.00 0.68 -0.27 6.55 0.02 -1.50 -2.95 113.55 116.09 1o95 h SER 18 Ca 0.00 -0.74 -0.08 0.00 -0.84 0.00 0.00 61.79 60.13 1o95 h SER 18 Cb 0.20 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1o95 h SER 18 CO 0.00 1.58 -0.13 -0.07 -1.14 0.00 0.00 176.83 177.07 1o95 h LEU 19 N 0.12 0.58 -0.99 5.07 3.38 -0.40 -2.58 115.31 120.50 1o95 h LEU 19 Ca -0.21 -0.41 0.35 0.00 0.09 0.00 0.00 57.88 57.69 1o95 h LEU 19 Cb 2.10 -0.16 -0.17 0.00 0.09 0.00 0.00 40.66 42.51 1o95 h LEU 19 CO 0.25 0.87 0.39 -0.33 0.09 0.00 0.00 178.44 179.71 1o95 h GLU 20 N 0.30 0.08 -0.05 1.13 5.08 -1.56 0.31 114.58 119.87 1o95 h GLU 20 Ca 0.06 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.18 1o95 h GLU 20 Cb 0.65 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.90 1o95 h GLU 20 CO 0.04 0.05 -0.88 -0.07 -1.00 0.00 0.00 179.01 177.15 1o95 h LEU 21 N 0.08 0.86 -0.40 1.33 -0.00 -1.40 0.67 115.31 116.44 1o95 h LEU 21 Ca 0.74 -0.70 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 1o95 h LEU 21 Cb 1.80 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 42.18 1o95 h LEU 21 CO -0.77 1.44 0.14 0.40 -0.00 0.00 0.00 178.44 179.66 1o95 h ILE 22 N 0.36 1.21 -0.16 1.22 2.04 -0.47 0.71 117.51 122.41 1o95 h ILE 22 Ca -0.10 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.15 1o95 h ILE 22 Cb 1.53 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 38.43 1o95 h ILE 22 CO 0.18 0.24 -0.38 1.23 0.00 0.00 0.00 178.15 179.42 1o95 h GLY 23 N 0.51 -0.56 0.00 5.37 0.00 -0.43 -2.17 103.07 105.78 1o95 h GLY 23 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1o95 h GLY 23 CO -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 176.54 176.31 1o95 n ALA 24 N -2.91 -0.27 -0.26 3.60 0.00 0.23 -1.43 120.51 119.48 1o95 n ALA 24 Ca -0.03 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.67 1o95 n ALA 24 Cb 0.35 0.21 0.47 0.00 0.00 0.00 0.00 19.45 20.48 1o95 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o95 n ALA 25 N -2.32 0.83 0.01 0.00 0.00 0.24 -1.78 120.51 117.49 1o95 n ALA 25 Ca 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 53.44 54.24 1o95 n ALA 25 Cb 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1o95 n ALA 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1o95 h ASN 26 N 0.00 -0.07 0.00 0.00 4.21 -0.85 -2.73 115.58 116.14 1o95 h ASN 26 Ca 0.68 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.19 1o95 h ASN 26 Cb 1.81 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 39.03 1o95 h ASN 26 CO -0.61 0.15 0.00 0.61 -1.29 0.00 0.00 177.43 176.29 1o95 n GLY 27 N 1.46 0.00 0.62 2.83 0.00 -0.51 -0.58 105.19 109.01 1o95 n GLY 27 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1o95 n GLY 27 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1o95 n LEU 28 N -1.95 2.26 -4.76 0.99 7.94 -1.07 -5.02 117.00 115.39 1o95 n LEU 28 Ca 0.00 -0.89 -0.41 0.00 -1.11 0.00 0.00 56.01 53.60 1o95 n LEU 28 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1o95 n LEU 28 CO 0.00 0.40 1.06 -0.54 -1.11 0.00 0.00 177.39 177.21 1o95 s LYS 29 N -1.90 4.27 -0.57 1.96 3.01 0.25 -4.81 119.74 121.94 1o95 s LYS 29 Ca 0.20 2.33 -0.02 0.00 -1.01 0.00 0.00 55.97 57.46 1o95 s LYS 29 Cb 0.16 -3.06 0.33 0.00 -1.01 0.00 0.00 37.83 34.24 1o95 s LYS 29 CO 0.36 -0.35 2.11 1.63 0.51 0.00 0.00 175.35 179.61 1o95 n LYS 30 N 1.36 2.41 0.00 1.68 5.02 -1.26 -4.92 118.16 122.45 1o95 n LYS 30 Ca 0.03 -2.72 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 1o95 n LYS 30 Cb 0.41 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1o95 n LYS 30 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1o95 n SER 31 N -0.30 0.00 -0.10 4.39 3.41 -1.26 -4.98 113.62 114.77 1o95 n SER 31 Ca 0.51 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 59.27 1o95 n SER 31 Cb 0.56 0.00 0.85 0.00 -0.26 0.00 0.00 64.21 65.37 1o95 n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o95 n GLY 32 N -1.92 -0.78 0.08 5.00 0.00 -1.26 -2.59 105.19 103.72 1o95 n GLY 32 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 1o95 n GLY 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1o95 h GLU 33 N 0.51 0.12 -6.28 1.61 9.09 -1.98 -3.47 114.58 114.18 1o95 h GLU 33 Ca 0.00 -0.20 -0.67 0.00 0.05 0.00 0.00 59.36 58.54 1o95 h GLU 33 Cb 0.11 0.07 0.05 0.00 -1.65 0.00 0.00 28.75 27.33 1o95 h GLU 33 CO 0.00 1.04 0.62 -0.25 0.05 0.00 0.00 179.01 180.47 1o95 n ASP 34 N -3.39 2.09 -4.82 3.06 8.00 -1.07 -4.98 116.55 115.44 1o95 n ASP 34 Ca -0.06 1.10 -0.37 0.00 0.71 0.00 0.00 54.79 56.16 1o95 n ASP 34 Cb 0.99 -1.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1o95 n ASP 34 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1o95 s LYS 35 N 1.28 3.83 -0.33 -1.24 -2.85 -0.91 -4.99 119.74 114.54 1o95 s LYS 35 Ca 0.87 0.07 -0.18 0.00 -1.00 0.00 0.00 55.97 55.72 1o95 s LYS 35 Cb -0.92 -3.27 -0.01 0.00 -2.06 0.00 0.00 37.83 31.57 1o95 s LYS 35 CO 0.49 0.58 0.54 0.08 0.10 0.00 0.00 175.35 177.14 1o95 s VAL 36 N -0.57 5.00 -0.09 1.79 1.01 -1.26 -2.22 120.40 124.07 1o95 s VAL 36 Ca 0.17 0.53 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 1o95 s VAL 36 Cb -0.13 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1o95 s VAL 36 CO 0.06 -0.16 0.26 0.54 0.00 0.00 0.00 175.10 175.81 1o95 s VAL 37 N 2.44 5.29 0.05 2.92 0.11 0.10 -1.62 120.40 129.69 1o95 s VAL 37 Ca 0.20 0.50 0.06 0.00 -2.93 0.00 0.00 61.98 59.82 1o95 s VAL 37 Cb -0.15 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.11 1o95 s VAL 37 CO 0.13 0.56 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.62 1o95 s VAL 38 N -0.74 3.04 -0.06 2.04 1.01 0.71 -0.79 120.40 125.60 1o95 s VAL 38 Ca 0.18 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1o95 s VAL 38 Cb -0.14 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1o95 s VAL 38 CO 0.07 0.30 -0.07 0.00 0.00 0.00 0.00 175.10 175.40 1o95 s ALA 39 N -1.00 0.94 -0.05 5.51 0.00 -0.72 0.33 121.76 126.77 1o95 s ALA 39 Ca 0.16 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.95 1o95 s ALA 39 Cb -0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1o95 s ALA 39 CO 0.07 -0.03 -0.20 0.54 0.00 0.00 0.00 175.76 176.14 1o95 s VAL 40 N 0.95 2.53 -0.09 0.00 0.11 -0.84 -1.33 120.40 121.73 1o95 s VAL 40 Ca -0.10 -0.92 0.04 0.00 -2.93 0.00 0.00 61.98 58.07 1o95 s VAL 40 Cb -0.15 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 1o95 s VAL 40 CO 0.00 0.58 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.50 1o95 s ILE 41 N -0.50 1.94 0.00 7.04 1.01 -1.26 -1.30 121.20 128.13 1o95 s ILE 41 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1o95 s ILE 41 Cb -0.11 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.67 1o95 s ILE 41 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1o95 n GLY 42 N 3.55 3.32 0.00 6.18 0.00 -0.07 -4.83 105.19 113.33 1o95 n GLY 42 Ca -0.19 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1o95 n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1o95 n SER 43 N 0.00 0.00 -1.82 1.61 3.41 -0.91 -0.03 113.62 115.87 1o95 n SER 43 Ca 0.00 0.09 0.03 0.00 -0.26 0.00 0.00 58.87 58.73 1o95 n SER 43 Cb 0.00 -0.10 0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1o95 n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1o95 n GLN 44 N -1.10 0.43 0.00 4.33 6.02 -1.26 -4.95 117.38 120.84 1o95 n GLN 44 Ca 0.00 -2.37 0.05 0.00 -0.01 0.00 0.00 57.00 54.67 1o95 n GLN 44 Cb 0.00 -0.40 0.24 0.00 1.02 0.00 0.00 30.24 31.10 1o95 n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o95 n ALA 45 N 0.23 1.57 0.08 -1.58 0.00 0.96 -1.72 120.51 120.04 1o95 n ALA 45 Ca 0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1o95 n ALA 45 Cb 1.06 -1.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 1o95 n ALA 45 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1o95 h ASP 46 N 0.00 0.05 0.00 0.00 -0.00 -1.93 -3.07 116.42 111.47 1o95 h ASP 46 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 1o95 h ASP 46 Cb 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.43 1o95 h ASP 46 CO 0.00 0.98 0.92 0.00 -0.00 0.00 0.00 179.24 181.14 1o95 h ALA 47 N 1.02 1.90 0.00 4.15 0.00 -1.75 -0.54 119.26 124.03 1o95 h ALA 47 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1o95 h ALA 47 Cb 1.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1o95 h ALA 47 CO 0.13 -0.90 -1.26 1.19 0.00 0.00 0.00 179.25 178.41 1o95 n PHE 48 N -2.46 0.88 -0.40 0.00 3.01 -1.16 -4.42 117.46 112.91 1o95 n PHE 48 Ca -0.00 0.27 -0.10 0.00 1.01 0.00 0.00 57.45 58.63 1o95 n PHE 48 Cb 0.92 -0.97 -0.09 0.00 -0.01 0.00 0.00 39.48 39.34 1o95 n PHE 48 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1o95 h VAL 49 N 0.00 0.00 -0.71 -4.37 2.07 -1.25 -0.20 116.25 111.80 1o95 h VAL 49 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1o95 h VAL 49 Cb 1.24 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 1o95 h VAL 49 CO 0.02 0.00 -0.42 -2.65 0.02 0.00 0.00 177.57 174.54 1o95 n PRO 50 N -5.28 -0.31 0.08 1.57 -0.02 -1.26 -1.98 135.00 127.80 1o95 n PRO 50 Ca 0.02 1.30 0.10 0.00 -2.02 0.00 0.00 63.50 62.90 1o95 n PRO 50 Cb 0.28 -1.91 0.43 0.00 -0.02 0.00 0.00 33.50 32.27 1o95 n PRO 50 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1o95 n ALA 51 N -3.21 1.75 0.51 3.55 0.00 -0.10 -1.95 120.51 121.05 1o95 n ALA 51 Ca 0.01 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1o95 n ALA 51 Cb 0.18 -1.35 0.13 0.00 0.00 0.00 0.00 19.45 18.41 1o95 n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1o95 n LEU 52 N -1.94 2.84 -3.67 0.00 4.77 -1.08 -4.66 117.00 113.26 1o95 n LEU 52 Ca 0.03 -1.26 -0.41 0.00 -0.03 0.00 0.00 56.01 54.34 1o95 n LEU 52 Cb 0.23 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1o95 n LEU 52 CO 0.19 0.56 1.82 -1.20 -1.33 0.00 0.00 177.39 177.43 1o95 n SER 53 N 1.11 7.16 -2.55 -1.43 7.64 -0.82 -4.84 113.62 119.89 1o95 n SER 53 Ca 0.13 -3.37 -0.13 0.00 1.01 0.00 0.00 58.87 56.51 1o95 n SER 53 Cb 0.49 -1.30 -0.05 0.00 -1.01 0.00 0.00 64.21 62.34 1o95 n SER 53 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1o95 n VAL 54 N 1.27 0.00 -2.76 0.44 0.24 -1.26 -2.52 118.33 113.73 1o95 n VAL 54 Ca 0.48 -1.68 -0.42 0.00 -2.04 0.00 0.00 64.34 60.69 1o95 n VAL 54 Cb 0.28 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.46 1o95 n VAL 54 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1o95 s ASN 55 N -2.62 7.22 0.00 -1.34 2.47 -0.96 -2.78 114.94 116.94 1o95 s ASN 55 Ca 0.28 1.49 0.00 0.00 0.42 0.00 0.00 52.86 55.05 1o95 s ASN 55 Cb 0.01 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 1o95 s ASN 55 CO 0.19 -0.33 0.00 0.61 -3.72 0.00 0.00 177.10 173.85 1o95 n GLY 56 N 3.07 2.86 3.66 1.21 0.00 -1.26 -4.73 105.19 110.00 1o95 n GLY 56 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1o95 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o95 s VAL 57 N -2.82 4.52 -0.80 1.61 1.01 -1.12 -4.35 120.40 118.44 1o95 s VAL 57 Ca 0.00 1.83 0.20 0.00 0.00 0.00 0.00 61.98 64.01 1o95 s VAL 57 Cb 0.00 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.96 1o95 s VAL 57 CO 0.00 -0.15 0.79 0.47 0.00 0.00 0.00 175.10 176.21 1o95 n ASP 58 N 6.32 0.84 -3.57 3.32 10.43 -0.64 -3.73 116.55 129.51 1o95 n ASP 58 Ca 0.13 -0.82 -0.15 0.00 2.57 0.00 0.00 54.79 56.51 1o95 n ASP 58 Cb 0.46 1.15 -0.06 0.00 1.84 0.00 0.00 41.12 44.50 1o95 n ASP 58 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1o95 s GLU 59 N -2.98 0.91 -0.19 -1.24 2.02 -1.14 -3.59 118.70 112.49 1o95 s GLU 59 Ca 0.05 0.57 -0.01 0.00 0.02 0.00 0.00 54.97 55.60 1o95 s GLU 59 Cb 0.15 0.44 0.05 0.00 0.10 0.00 0.00 34.13 34.87 1o95 s GLU 59 CO 0.83 -0.21 -0.01 -1.17 0.02 0.00 0.00 175.26 174.72 1o95 s LEU 60 N -0.47 1.57 -0.29 1.80 0.20 -0.81 -0.21 118.68 120.48 1o95 s LEU 60 Ca -0.05 -0.81 -0.15 0.00 0.69 0.00 0.00 54.13 53.81 1o95 s LEU 60 Cb -0.02 -0.80 -0.03 0.00 -0.43 0.00 0.00 46.19 44.90 1o95 s LEU 60 CO 0.05 -0.25 0.37 -0.69 -0.29 0.00 0.00 176.35 175.54 1o95 s VAL 61 N 1.70 5.17 -0.25 1.68 1.01 1.01 -1.98 120.40 128.74 1o95 s VAL 61 Ca -0.01 0.46 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 1o95 s VAL 61 Cb -0.17 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1o95 s VAL 61 CO -0.07 0.10 0.35 -0.69 0.00 0.00 0.00 175.10 174.79 1o95 s VAL 62 N 2.07 5.21 -0.34 2.92 1.01 -0.41 -1.98 120.40 128.87 1o95 s VAL 62 Ca 0.14 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 1o95 s VAL 62 Cb -0.16 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1o95 s VAL 62 CO 0.10 0.21 0.07 -0.69 0.00 0.00 0.00 175.10 174.80 1o95 s VAL 63 N 1.70 3.01 -0.26 2.92 1.01 -0.42 -2.13 120.40 126.22 1o95 s VAL 63 Ca 0.15 -1.72 -0.29 0.00 0.00 0.00 0.00 61.98 60.12 1o95 s VAL 63 Cb -0.15 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1o95 s VAL 63 CO 0.09 -0.36 1.08 -1.59 0.00 0.00 0.00 175.10 174.32 1o95 s LYS 64 N 1.18 4.16 0.00 2.72 0.00 -1.21 -0.90 119.74 125.69 1o95 s LYS 64 Ca 0.01 1.26 0.00 0.00 0.00 0.00 0.00 55.97 57.24 1o95 s LYS 64 Cb -0.21 -3.70 0.00 0.00 0.00 0.00 0.00 37.83 33.92 1o95 s LYS 64 CO -0.03 -0.77 0.00 0.41 0.00 0.00 0.00 175.35 174.96 1o95 n GLY 65 N 3.61 2.30 0.11 0.59 0.00 -1.26 -1.98 105.19 108.56 1o95 n GLY 65 Ca 0.12 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1o95 n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1o95 h SER 66 N 0.00 -0.12 -3.83 1.61 4.64 -1.94 -3.40 113.55 110.51 1o95 h SER 66 Ca 0.00 -0.38 -0.49 0.00 -0.47 0.00 0.00 61.79 60.46 1o95 h SER 66 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1o95 h SER 66 CO 0.00 0.50 0.18 -0.94 -0.87 0.00 0.00 176.83 175.70 1o95 s SER 67 N -5.60 6.59 0.00 4.97 1.04 -1.26 -4.69 113.70 114.75 1o95 s SER 67 Ca -0.11 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1o95 s SER 67 Cb -0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1o95 s SER 67 CO 0.39 -0.42 0.69 -0.38 0.98 0.00 0.00 173.24 174.51 1o95 n ILE 68 N -1.22 0.00 -2.54 -1.02 5.41 -1.26 -2.15 119.36 116.59 1o95 n ILE 68 Ca 0.04 1.17 -0.23 0.00 1.00 0.00 0.00 62.75 64.73 1o95 n ILE 68 Cb 0.54 -2.13 0.09 0.00 -0.71 0.00 0.00 39.64 37.42 1o95 n ILE 68 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1o95 s ASP 69 N -2.17 4.63 -0.21 4.38 1.01 -1.26 -4.29 116.67 118.75 1o95 s ASP 69 Ca 0.00 -0.15 -0.20 0.00 0.71 0.00 0.00 52.55 52.91 1o95 s ASP 69 Cb 0.00 -0.40 -0.09 0.00 1.01 0.00 0.00 42.92 43.45 1o95 s ASP 69 CO 0.00 -1.65 0.74 0.33 0.21 0.00 0.00 175.17 174.79 1o95 n PHE 70 N -2.73 0.70 -4.81 4.23 7.35 -1.26 -5.02 117.46 115.92 1o95 n PHE 70 Ca 0.12 0.46 -0.26 0.00 -0.76 0.00 0.00 57.45 57.01 1o95 n PHE 70 Cb 0.60 -0.96 -0.16 0.00 0.35 0.00 0.00 39.48 39.31 1o95 n PHE 70 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1o95 s ASP 71 N 1.56 2.14 0.01 -2.13 -1.08 -1.26 -4.94 116.67 110.97 1o95 s ASP 71 Ca 0.46 -0.36 -0.22 0.00 -0.52 0.00 0.00 52.55 51.92 1o95 s ASP 71 Cb -0.64 -0.71 -0.17 0.00 -1.46 0.00 0.00 42.92 39.94 1o95 s ASP 71 CO 0.34 0.13 1.28 -0.65 0.52 0.00 0.00 175.17 176.79 1o95 h PRO 72 N 6.44 0.24 -0.28 4.34 0.11 -1.93 0.24 132.00 141.17 1o95 h PRO 72 Ca -0.31 -0.14 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1o95 h PRO 72 Cb 1.18 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1o95 h PRO 72 CO 0.48 0.70 0.10 -0.44 -0.21 0.00 0.00 178.00 178.62 1o95 h ASP 73 N -0.20 0.11 -0.04 -2.05 3.32 -1.97 0.18 116.42 115.77 1o95 h ASP 73 Ca 0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1o95 h ASP 73 Cb 0.67 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1o95 h ASP 73 CO 0.03 0.10 0.01 0.58 -1.72 0.00 0.00 179.24 178.24 1o95 h VAL 74 N 0.23 1.14 0.77 -1.35 2.07 -1.89 -1.46 116.25 115.75 1o95 h VAL 74 Ca 0.12 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1o95 h VAL 74 Cb 0.09 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1o95 h VAL 74 CO -0.13 0.11 -0.42 -0.26 0.02 0.00 0.00 177.57 176.89 1o95 h PHE 75 N -0.10 -1.12 -0.59 1.57 -1.00 -0.33 0.14 116.94 115.50 1o95 h PHE 75 Ca 0.01 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.84 1o95 h PHE 75 Cb 0.17 0.39 -0.10 0.00 3.61 0.00 0.00 35.95 40.02 1o95 h PHE 75 CO -0.02 -0.66 -0.54 1.49 -1.61 0.00 0.00 178.31 176.97 1o95 h GLU 76 N -1.10 -0.26 -0.48 1.51 4.81 -0.53 3.37 114.58 121.90 1o95 h GLU 76 Ca -0.10 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1o95 h GLU 76 Cb 0.87 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1o95 h GLU 76 CO 0.13 -0.17 0.32 0.00 -0.73 0.00 0.00 179.01 178.56 1o95 h ALA 77 N 0.23 1.79 -0.18 2.92 0.00 -0.92 -2.63 119.26 120.48 1o95 h ALA 77 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1o95 h ALA 77 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1o95 h ALA 77 CO -0.70 0.15 -0.21 0.77 0.00 0.00 0.00 179.25 179.25 1o95 h SER 78 N 0.53 0.49 0.64 0.00 0.02 0.89 -2.14 113.55 113.97 1o95 h SER 78 Ca 0.20 -0.50 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 1o95 h SER 78 Cb 0.13 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.53 1o95 h SER 78 CO -0.05 0.89 -0.31 0.58 -1.14 0.00 0.00 176.83 176.80 1o95 h VAL 79 N 0.10 0.20 -0.68 2.27 2.07 -0.35 -0.81 116.25 119.05 1o95 h VAL 79 Ca 0.02 -0.30 0.18 0.00 0.82 0.00 0.00 66.70 67.42 1o95 h VAL 79 Cb 0.76 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1o95 h VAL 79 CO 0.05 0.03 0.48 0.28 0.02 0.00 0.00 177.57 178.42 1o95 h SER 80 N -1.10 0.12 -0.37 0.57 0.02 -1.54 3.22 113.55 114.46 1o95 h SER 80 Ca -0.09 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1o95 h SER 80 Cb 0.70 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1o95 h SER 80 CO 0.14 0.06 0.14 0.00 -1.14 0.00 0.00 176.83 176.03 1o95 h ALA 81 N 1.67 1.44 0.00 3.77 0.00 -0.97 0.04 119.26 125.20 1o95 h ALA 81 Ca 0.33 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1o95 h ALA 81 Cb 1.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1o95 h ALA 81 CO -0.04 0.42 -0.67 -0.07 0.00 0.00 0.00 179.25 178.89 1o95 h LEU 82 N 0.61 0.00 0.14 0.00 3.38 0.73 -3.24 115.31 116.93 1o95 h LEU 82 Ca 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 1o95 h LEU 82 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1o95 h LEU 82 CO -0.01 0.67 -1.12 0.40 0.09 0.00 0.00 178.44 178.47 1o95 h ILE 83 N 0.00 1.29 -0.70 1.22 2.04 -0.76 -1.49 117.51 119.12 1o95 h ILE 83 Ca -0.01 -2.50 0.13 0.00 1.00 0.00 0.00 64.86 63.48 1o95 h ILE 83 Cb 1.48 2.99 -0.09 0.00 -0.74 0.00 0.00 36.82 40.46 1o95 h ILE 83 CO 0.09 0.72 0.24 0.00 0.00 0.00 0.00 178.15 179.20 1o95 h ALA 84 N 0.04 0.93 -0.01 1.87 0.00 -1.09 -0.76 119.26 120.24 1o95 h ALA 84 Ca -0.22 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1o95 h ALA 84 Cb 1.74 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1o95 h ALA 84 CO 0.13 -0.23 -0.51 0.00 0.00 0.00 0.00 179.25 178.63 1o95 n ALA 85 N -2.53 3.60 0.43 0.00 0.00 -1.22 -3.83 120.51 116.95 1o95 n ALA 85 Ca 0.12 -0.58 0.07 0.00 0.00 0.00 0.00 53.44 53.06 1o95 n ALA 85 Cb 0.37 -0.68 0.09 0.00 0.00 0.00 0.00 19.45 19.24 1o95 n ALA 85 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o95 n HIS 86 N -0.38 0.14 -4.25 0.00 8.25 -0.56 -5.06 115.22 113.36 1o95 n HIS 86 Ca 0.07 -0.11 -0.30 0.00 -0.26 0.00 0.00 57.72 57.11 1o95 n HIS 86 Cb 0.38 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.39 1o95 n HIS 86 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1o95 n ASN 87 N 0.84 0.78 -4.81 0.41 0.23 -0.30 -4.86 115.26 107.54 1o95 n ASN 87 Ca 0.10 -1.24 -0.32 0.00 -0.53 0.00 0.00 54.58 52.60 1o95 n ASN 87 Cb 0.40 -1.53 0.03 0.00 -2.08 0.00 0.00 39.78 36.59 1o95 n ASN 87 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1o95 s PRO 88 N -7.24 3.16 0.15 -0.53 0.04 -1.26 -4.75 135.00 124.56 1o95 s PRO 88 Ca 0.01 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.00 1o95 s PRO 88 Cb -0.01 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1o95 s PRO 88 CO 0.96 -0.93 1.63 1.03 0.04 0.00 0.00 177.00 179.74 1o95 h SER 89 N -0.11 0.82 -4.38 6.66 0.87 -1.21 -3.40 113.55 112.80 1o95 h SER 89 Ca -0.45 -0.27 -0.31 0.00 -1.23 0.00 0.00 61.79 59.52 1o95 h SER 89 Cb 1.21 -0.22 -0.24 0.00 -0.44 0.00 0.00 62.40 62.71 1o95 h SER 89 CO 0.57 0.88 -0.75 -0.69 -0.53 0.00 0.00 176.83 176.31 1o95 s VAL 90 N -5.16 0.56 -0.04 2.23 1.01 -1.24 -0.94 120.40 116.82 1o95 s VAL 90 Ca -0.13 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1o95 s VAL 90 Cb 0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1o95 s VAL 90 CO 0.81 -0.14 -0.25 0.54 0.00 0.00 0.00 175.10 176.06 1o95 s VAL 91 N -0.83 2.03 -0.04 2.92 0.11 0.19 -1.65 120.40 123.13 1o95 s VAL 91 Ca -0.04 -1.08 -0.02 0.00 -2.93 0.00 0.00 61.98 57.91 1o95 s VAL 91 Cb -0.07 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 33.05 1o95 s VAL 91 CO 0.00 0.57 0.08 -0.76 -3.33 0.00 0.00 175.10 171.66 1o95 s LEU 92 N -0.40 3.95 0.09 2.54 1.43 -0.04 -0.89 118.68 125.36 1o95 s LEU 92 Ca 0.04 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1o95 s LEU 92 Cb -0.12 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1o95 s LEU 92 CO 0.01 0.32 -0.07 -0.76 0.23 0.00 0.00 176.35 176.08 1o95 s LEU 93 N -1.46 2.47 0.38 1.79 2.01 0.93 -2.71 118.68 122.09 1o95 s LEU 93 Ca 0.20 -0.93 -0.27 0.00 0.01 0.00 0.00 54.13 53.14 1o95 s LEU 93 Cb -0.12 -0.10 -0.09 0.00 0.01 0.00 0.00 46.19 45.89 1o95 s LEU 93 CO 0.10 -0.42 1.27 -2.16 1.01 0.00 0.00 176.35 176.15 1o95 s PRO 94 N -3.44 4.13 -1.04 1.29 0.04 -1.26 -2.02 135.00 132.70 1o95 s PRO 94 Ca 0.08 2.10 -0.23 0.00 0.04 0.00 0.00 61.00 62.99 1o95 s PRO 94 Cb 0.03 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 1o95 s PRO 94 CO -0.04 -0.33 1.86 -1.58 0.04 0.00 0.00 177.00 176.95 1o95 s HIS 95 N -1.25 2.03 0.14 0.56 2.46 -0.80 -4.60 115.29 113.83 1o95 s HIS 95 Ca 0.54 0.20 0.06 0.00 0.47 0.00 0.00 55.06 56.33 1o95 s HIS 95 Cb -0.37 -4.18 -0.04 0.00 -0.13 0.00 0.00 32.58 27.87 1o95 s HIS 95 CO 0.48 -1.60 -0.15 -1.54 -2.47 0.00 0.00 174.74 169.46 1o95 s SER 96 N 6.83 2.15 0.41 9.88 1.04 -1.26 -4.75 113.70 128.00 1o95 s SER 96 Ca 0.65 -0.85 0.19 0.00 0.48 0.00 0.00 55.95 56.42 1o95 s SER 96 Cb -0.03 -0.08 1.12 0.00 0.10 0.00 0.00 66.02 67.12 1o95 s SER 96 CO 0.03 -0.14 1.81 0.58 0.98 0.00 0.00 173.24 176.50 1o95 h VAL 97 N 3.34 0.59 -0.61 5.02 2.07 -2.00 0.61 116.25 125.27 1o95 h VAL 97 Ca -0.40 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.09 1o95 h VAL 97 Cb 1.20 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1o95 h VAL 97 CO 0.52 0.07 0.41 0.44 0.02 0.00 0.00 177.57 179.03 1o95 h ASP 98 N 0.38 0.36 0.08 0.57 5.19 -1.95 -3.17 116.42 117.88 1o95 h ASP 98 Ca 0.54 0.01 -0.26 0.00 -0.62 0.00 0.00 57.03 56.69 1o95 h ASP 98 Cb 1.39 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.82 1o95 h ASP 98 CO -0.22 0.21 -1.40 0.28 -3.12 0.00 0.00 179.24 174.99 1o95 h SER 99 N 0.40 0.25 -0.95 6.45 0.02 -0.09 -3.23 113.55 116.40 1o95 h SER 99 Ca 0.28 -0.77 0.28 0.00 -0.84 0.00 0.00 61.79 60.74 1o95 h SER 99 Cb 0.58 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1o95 h SER 99 CO -0.08 1.59 1.12 0.18 -1.14 0.00 0.00 176.83 178.51 1o95 n LEU 100 N -4.04 0.00 -0.35 5.07 4.77 -0.51 -0.88 117.00 121.07 1o95 n LEU 100 Ca -0.28 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1o95 n LEU 100 Cb 0.84 -0.24 0.57 0.00 -2.33 0.00 0.00 43.42 42.26 1o95 n LEU 100 CO 0.34 -0.70 0.89 0.61 -1.33 0.00 0.00 177.39 177.20 1o95 n GLY 101 N -1.64 -0.24 0.00 -0.72 0.00 -1.22 -4.43 105.19 96.94 1o95 n GLY 101 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1o95 n GLY 101 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1o95 n TYR 102 N -0.13 0.00 -0.19 1.61 0.18 -0.06 -4.78 117.16 113.79 1o95 n TYR 102 Ca 0.19 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.90 1o95 n TYR 102 Cb 0.26 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.17 1o95 n TYR 102 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1o95 h ALA 103 N 0.00 -0.41 0.00 -3.48 0.00 -1.44 -2.87 119.26 111.07 1o95 h ALA 103 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1o95 h ALA 103 Cb 0.00 1.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1o95 h ALA 103 CO 0.00 -0.62 -0.05 0.66 0.00 0.00 0.00 179.25 179.25 1o95 h SER 104 N -0.08 0.00 -0.23 0.00 4.64 -1.80 -1.96 113.55 114.12 1o95 h SER 104 Ca 0.07 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.24 1o95 h SER 104 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1o95 h SER 104 CO -0.47 0.05 -0.46 0.77 -0.87 0.00 0.00 176.83 175.84 1o95 h SER 105 N 0.00 0.80 -0.99 4.97 4.64 -1.87 -2.29 113.55 118.81 1o95 h SER 105 Ca -0.00 -0.55 0.21 0.00 -0.47 0.00 0.00 61.79 60.98 1o95 h SER 105 Cb 0.10 -0.23 -0.10 0.00 -0.31 0.00 0.00 62.40 61.86 1o95 h SER 105 CO 0.01 1.20 0.62 0.25 -0.87 0.00 0.00 176.83 178.04 1o95 h LEU 106 N 0.44 0.64 0.00 5.97 5.85 -1.29 -0.79 115.31 126.13 1o95 h LEU 106 Ca 0.01 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.63 1o95 h LEU 106 Cb 1.07 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1o95 h LEU 106 CO 0.10 0.21 -1.13 0.00 -0.34 0.00 0.00 178.44 177.28 1o95 h ALA 107 N 1.64 0.62 -0.46 1.25 0.00 -1.46 -3.30 119.26 117.55 1o95 h ALA 107 Ca 0.56 -0.85 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1o95 h ALA 107 Cb 1.08 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1o95 h ALA 107 CO -0.32 1.01 -0.04 0.77 0.00 0.00 0.00 179.25 180.67 1o95 h SER 108 N 0.00 0.84 1.62 0.00 0.02 -0.70 -3.02 113.55 112.32 1o95 h SER 108 Ca -0.11 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 1o95 h SER 108 Cb 1.63 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 1o95 h SER 108 CO 0.07 0.97 -0.03 0.11 -1.14 0.00 0.00 176.83 176.81 1o95 h LYS 109 N 0.69 0.00 0.00 3.45 1.57 -1.50 -3.38 116.57 117.40 1o95 h LYS 109 Ca 0.13 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1o95 h LYS 109 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1o95 h LYS 109 CO 0.03 0.03 -1.01 0.25 -0.57 0.00 0.00 179.45 178.17 1o95 n THR 110 N -3.11 0.00 -4.06 -0.16 -2.24 -1.20 -5.02 114.28 98.49 1o95 n THR 110 Ca 0.03 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.52 1o95 n THR 110 Cb 0.46 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 1o95 n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o95 n GLY 111 N 2.50 -0.23 3.75 3.38 0.00 -1.14 -5.09 105.19 108.35 1o95 n GLY 111 Ca -0.00 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1o95 n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1o95 s TYR 112 N -3.94 1.73 0.36 1.61 2.02 -1.25 -4.98 117.35 112.89 1o95 s TYR 112 Ca 0.11 0.67 -0.25 0.00 -0.37 0.00 0.00 57.07 57.22 1o95 s TYR 112 Cb -0.06 -3.53 -0.09 0.00 -0.40 0.00 0.00 41.96 37.88 1o95 s TYR 112 CO 0.92 -2.91 1.02 0.20 -1.57 0.00 0.00 175.55 173.21 1o95 s GLY 113 N -4.08 2.80 -0.05 0.71 0.00 -0.94 -4.88 107.32 100.88 1o95 s GLY 113 Ca 0.68 0.67 -0.04 0.00 0.00 0.00 0.00 44.72 46.04 1o95 s GLY 113 CO 0.54 1.13 0.12 -0.12 0.00 0.00 0.00 173.10 174.78 1o95 s PHE 114 N -1.58 -0.13 -0.04 1.90 5.36 -1.25 0.13 117.98 122.37 1o95 s PHE 114 Ca 0.54 0.36 -0.16 0.00 -0.96 0.00 0.00 56.93 56.71 1o95 s PHE 114 Cb -0.22 -0.00 0.03 0.00 -0.34 0.00 0.00 43.02 42.49 1o95 s PHE 114 CO 0.28 -0.09 0.35 0.00 -1.46 0.00 0.00 175.22 174.30 1o95 s ALA 115 N 0.42 -0.89 0.48 11.12 0.00 -0.28 -4.95 121.76 127.66 1o95 s ALA 115 Ca -0.03 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.50 1o95 s ALA 115 Cb -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1o95 s ALA 115 CO -0.02 -0.26 0.17 0.95 0.00 0.00 0.00 175.76 176.61 1o95 s THR 116 N -1.10 1.71 -1.47 0.00 -4.23 -1.26 -2.25 115.64 107.04 1o95 s THR 116 Ca -0.11 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 58.56 1o95 s THR 116 Cb -0.04 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1o95 s THR 116 CO 0.04 0.00 0.15 -0.67 -0.54 0.00 0.00 174.62 173.60 1o95 n ASP 117 N -1.38 -0.16 -4.75 3.99 2.03 -0.93 -4.87 116.55 110.48 1o95 n ASP 117 Ca -0.08 -1.29 -0.40 0.00 0.52 0.00 0.00 54.79 53.55 1o95 n ASP 117 Cb 0.65 -1.58 -0.05 0.00 -0.72 0.00 0.00 41.12 39.42 1o95 n ASP 117 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1o95 s VAL 118 N -4.20 4.80 0.00 5.18 1.01 -0.27 -4.53 120.40 122.39 1o95 s VAL 118 Ca 0.11 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1o95 s VAL 118 Cb -0.06 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1o95 s VAL 118 CO 0.99 0.36 0.08 0.00 0.00 0.00 0.00 175.10 176.53 1o95 n TYR 119 N 2.90 0.00 -4.23 5.22 0.18 -0.92 -0.09 117.16 120.22 1o95 n TYR 119 Ca -0.03 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.57 1o95 n TYR 119 Cb 0.50 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.32 1o95 n TYR 119 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1o95 s ILE 120 N 0.00 0.54 0.11 -3.48 1.01 -1.12 -4.95 121.20 113.31 1o95 s ILE 120 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 1o95 s ILE 120 Cb 0.00 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 1o95 s ILE 120 CO 0.00 0.18 0.19 0.68 0.00 0.00 0.00 174.94 175.99 1o95 s VAL 121 N 0.17 0.12 0.00 2.92 -7.23 -1.25 0.26 120.40 115.40 1o95 s VAL 121 Ca -0.02 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1o95 s VAL 121 Cb -0.07 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1o95 s VAL 121 CO -0.00 -0.56 0.00 1.21 -0.31 0.00 0.00 175.10 175.44 1o95 n GLU 122 N -0.10 0.00 -1.85 4.82 2.13 -0.38 -4.98 120.64 120.29 1o95 n GLU 122 Ca -0.12 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.29 1o95 n GLU 122 Cb 0.63 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.32 1o95 n GLU 122 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1o95 s TYR 123 N 0.00 2.80 -0.32 4.31 1.51 -1.26 0.10 117.35 124.49 1o95 s TYR 123 Ca 0.00 0.94 -0.02 0.00 -1.01 0.00 0.00 57.07 56.98 1o95 s TYR 123 Cb 0.00 -3.98 0.11 0.00 -0.11 0.00 0.00 41.96 37.97 1o95 s TYR 123 CO 0.00 -3.19 0.14 -0.65 -1.11 0.00 0.00 175.55 170.74 1o95 s GLN 124 N -0.83 0.55 6.30 -0.62 -0.21 0.15 -4.91 119.66 120.09 1o95 s GLN 124 Ca 0.60 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.98 1o95 s GLN 124 Cb -0.46 -1.62 0.00 0.00 1.00 0.00 0.00 33.01 31.93 1o95 s GLN 124 CO 0.50 -1.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.03 1o95 n GLY 125 N 4.76 1.76 0.43 3.09 0.00 -1.26 -2.12 105.19 111.85 1o95 n GLY 125 Ca -0.01 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1o95 n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o95 n ASP 126 N 10.69 2.54 -4.75 1.61 8.00 -1.26 -5.01 116.55 128.37 1o95 n ASP 126 Ca 0.00 -3.29 -0.36 0.00 0.71 0.00 0.00 54.79 51.85 1o95 n ASP 126 Cb 0.00 -0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.54 1o95 n ASP 126 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1o95 s GLU 127 N -2.97 4.15 -0.14 -1.24 8.01 -0.90 -5.04 118.70 120.56 1o95 s GLU 127 Ca 0.36 0.06 -0.24 0.00 0.01 0.00 0.00 54.97 55.17 1o95 s GLU 127 Cb 0.32 -3.39 -0.02 0.00 -4.31 0.00 0.00 34.13 26.73 1o95 s GLU 127 CO 0.02 0.33 0.75 -1.17 0.01 0.00 0.00 175.26 175.20 1o95 s LEU 128 N 0.19 4.21 -0.13 1.80 2.96 -1.26 0.30 118.68 126.76 1o95 s LEU 128 Ca 0.16 1.11 0.01 0.00 -0.22 0.00 0.00 54.13 55.19 1o95 s LEU 128 Cb -0.13 -3.12 0.02 0.00 0.50 0.00 0.00 46.19 43.46 1o95 s LEU 128 CO 0.04 -0.28 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.95 1o95 s VAL 129 N 1.67 1.52 0.03 1.68 1.01 0.29 -4.20 120.40 122.39 1o95 s VAL 129 Ca 0.36 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1o95 s VAL 129 Cb -0.17 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1o95 s VAL 129 CO 0.14 0.45 -0.21 0.00 0.00 0.00 0.00 175.10 175.48 1o95 s ALA 130 N 1.26 2.46 -0.07 5.51 0.00 -1.13 -1.25 121.76 128.55 1o95 s ALA 130 Ca -0.00 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.81 1o95 s ALA 130 Cb -0.14 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1o95 s ALA 130 CO -0.06 0.56 -0.22 0.99 0.00 0.00 0.00 175.76 177.02 1o95 s THR 131 N -0.84 2.32 0.14 0.00 2.01 0.72 -2.14 115.64 117.85 1o95 s THR 131 Ca 0.13 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1o95 s THR 131 Cb -0.10 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.54 1o95 s THR 131 CO 0.03 0.56 0.04 -2.11 -0.69 0.00 0.00 174.62 172.46 1o95 n ARG 132 N 3.03 1.51 -4.20 4.92 1.85 -0.33 -2.16 116.66 121.28 1o95 n ARG 132 Ca -0.18 -0.95 -0.29 0.00 -1.00 0.00 0.00 57.85 55.43 1o95 n ARG 132 Cb 0.52 0.20 -0.09 0.00 -1.05 0.00 0.00 32.46 32.04 1o95 n ARG 132 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1o95 s GLY 133 N -1.94 1.80 0.39 2.89 0.00 -1.26 -1.65 107.32 107.56 1o95 s GLY 133 Ca 0.03 -1.26 0.08 0.00 0.00 0.00 0.00 44.72 43.57 1o95 s GLY 133 CO 0.02 -1.25 0.01 -0.32 0.00 0.00 0.00 173.10 171.56 1o95 s GLY 134 N -2.45 2.41 -1.02 0.20 0.00 -1.17 -4.74 107.32 100.54 1o95 s GLY 134 Ca 0.24 -2.23 -0.17 0.00 0.00 0.00 0.00 44.72 42.56 1o95 s GLY 134 CO 0.16 -2.06 0.66 -1.72 0.00 0.00 0.00 173.10 170.15 1o95 n TYR 135 N -0.97 -1.80 -3.89 1.90 4.02 -1.26 0.67 117.16 115.84 1o95 n TYR 135 Ca -0.05 0.48 -0.27 0.00 -0.01 0.00 0.00 57.90 58.05 1o95 n TYR 135 Cb 0.66 -2.91 -0.00 0.00 -0.02 0.00 0.00 39.34 37.06 1o95 n TYR 135 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1o95 n ASN 136 N -2.39 -1.58 -1.91 7.72 5.15 -1.26 -2.17 115.26 118.82 1o95 n ASN 136 Ca -0.19 -1.01 -0.19 0.00 -0.60 0.00 0.00 54.58 52.58 1o95 n ASN 136 Cb 0.62 -3.11 -0.04 0.00 -0.53 0.00 0.00 39.78 36.72 1o95 n ASN 136 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1o95 n GLN 137 N -4.37 -1.47 0.08 1.20 1.13 0.21 -4.88 117.38 109.28 1o95 n GLN 137 Ca -0.26 1.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.85 1o95 n GLN 137 Cb 0.66 -5.51 -0.04 0.00 0.11 0.00 0.00 30.24 25.45 1o95 n GLN 137 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1o95 h LYS 138 N 0.00 0.00 0.00 -1.09 1.79 -0.41 -3.46 116.57 113.40 1o95 h LYS 138 Ca -0.43 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 57.72 1o95 h LYS 138 Cb 1.31 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.91 1o95 h LYS 138 CO 0.56 0.46 -0.21 1.33 -1.08 0.00 0.00 179.45 180.51 1o95 n VAL 139 N -3.08 0.00 -4.35 0.50 0.24 -1.23 -5.00 118.33 105.41 1o95 n VAL 139 Ca -0.04 -1.14 -0.28 0.00 -2.04 0.00 0.00 64.34 60.84 1o95 n VAL 139 Cb 0.81 0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 33.20 1o95 n VAL 139 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1o95 s ASN 140 N -2.39 3.72 -0.32 -1.34 -0.87 -1.26 -3.05 114.94 109.43 1o95 s ASN 140 Ca 0.03 -0.70 -0.01 0.00 -1.57 0.00 0.00 52.86 50.61 1o95 s ASN 140 Cb -0.00 -0.43 0.11 0.00 -0.02 0.00 0.00 41.25 40.90 1o95 s ASN 140 CO 0.02 0.14 0.12 -0.69 -2.57 0.00 0.00 177.10 174.13 1o95 s VAL 141 N -1.43 0.68 -0.07 1.60 1.01 -0.66 -4.80 120.40 116.74 1o95 s VAL 141 Ca 0.20 -1.39 -0.21 0.00 0.00 0.00 0.00 61.98 60.58 1o95 s VAL 141 Cb -0.09 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1o95 s VAL 141 CO 0.10 -0.73 0.61 -1.61 0.00 0.00 0.00 175.10 173.47 1o95 s GLU 142 N 1.57 4.38 0.10 2.72 2.02 -1.26 -1.19 118.70 127.04 1o95 s GLU 142 Ca 0.11 0.71 0.05 0.00 0.02 0.00 0.00 54.97 55.86 1o95 s GLU 142 Cb -0.18 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 1o95 s GLU 142 CO -0.24 0.17 -0.14 0.14 0.02 0.00 0.00 175.26 175.21 1o95 s VAL 143 N 0.50 1.23 0.31 2.63 -7.23 -0.91 -5.04 120.40 111.89 1o95 s VAL 143 Ca 0.32 -1.57 0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1o95 s VAL 143 Cb -0.17 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1o95 s VAL 143 CO 0.15 -0.36 0.19 1.51 -0.31 0.00 0.00 175.10 176.29 1o95 s ASP 144 N -2.20 1.47 -0.54 4.85 1.47 -1.26 -2.83 116.67 117.63 1o95 s ASP 144 Ca 0.05 -1.61 0.07 0.00 1.18 0.00 0.00 52.55 52.24 1o95 s ASP 144 Cb -0.07 0.45 0.29 0.00 -0.34 0.00 0.00 42.92 43.25 1o95 s ASP 144 CO 0.02 -0.94 0.76 0.49 0.68 0.00 0.00 175.17 176.18 1o95 n PHE 145 N -0.57 2.58 -1.69 2.11 3.01 -1.26 -5.07 117.46 116.56 1o95 n PHE 145 Ca 0.03 -3.96 -0.54 0.00 1.01 0.00 0.00 57.45 53.99 1o95 n PHE 145 Cb 0.64 -0.48 -0.06 0.00 -0.01 0.00 0.00 39.48 39.57 1o95 n PHE 145 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1o95 n PRO 146 N 0.59 1.55 -1.00 -1.08 -0.02 -1.26 -2.43 135.00 131.34 1o95 n PRO 146 Ca 0.28 0.57 -0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1o95 n PRO 146 Cb 0.46 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1o95 n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o95 n GLY 147 N 4.18 0.04 3.66 -1.23 0.00 -1.26 -4.94 105.19 105.63 1o95 n GLY 147 Ca 0.24 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1o95 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o95 s LYS 148 N -1.88 4.24 0.00 1.61 -0.14 -1.02 -4.92 119.74 117.63 1o95 s LYS 148 Ca 0.00 1.29 0.29 0.00 -1.36 0.00 0.00 55.97 56.19 1o95 s LYS 148 Cb 0.00 -3.64 1.26 0.00 -1.68 0.00 0.00 37.83 33.77 1o95 s LYS 148 CO 0.00 -0.62 1.94 0.43 -0.76 0.00 0.00 175.35 176.33 1o95 n SER 149 N 6.29 0.00 -3.85 2.83 7.64 -1.26 -4.71 113.62 120.56 1o95 n SER 149 Ca 0.11 0.41 -0.15 0.00 1.01 0.00 0.00 58.87 60.25 1o95 n SER 149 Cb 0.46 -0.47 -0.15 0.00 -1.01 0.00 0.00 64.21 63.04 1o95 n SER 149 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1o95 s THR 150 N -2.94 0.12 -0.06 0.44 2.01 -1.26 -4.19 115.64 109.76 1o95 s THR 150 Ca 0.16 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.23 1o95 s THR 150 Cb 0.19 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.52 1o95 s THR 150 CO 0.51 0.08 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.61 1o95 s VAL 151 N 0.50 1.86 -0.19 3.82 1.01 -0.12 -2.21 120.40 125.07 1o95 s VAL 151 Ca -0.05 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1o95 s VAL 151 Cb -0.07 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1o95 s VAL 151 CO -0.01 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 174.97 1o95 s VAL 152 N -0.01 4.61 -0.07 2.92 1.01 0.36 0.56 120.40 129.79 1o95 s VAL 152 Ca -0.06 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1o95 s VAL 152 Cb -0.14 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1o95 s VAL 152 CO 0.04 0.44 -0.22 -0.76 0.00 0.00 0.00 175.10 174.60 1o95 s LEU 153 N 0.58 2.02 -0.15 3.92 1.43 -0.07 -1.12 118.68 125.29 1o95 s LEU 153 Ca 0.03 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 1o95 s LEU 153 Cb -0.13 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1o95 s LEU 153 CO 0.01 0.19 0.11 0.42 0.23 0.00 0.00 176.35 177.32 1o95 s THR 154 N 0.05 5.24 -0.11 5.49 -4.23 -0.95 -0.05 115.64 121.08 1o95 s THR 154 Ca -0.08 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 1o95 s THR 154 Cb -0.14 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 70.37 1o95 s THR 154 CO 0.05 0.54 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.88 1o95 s ILE 155 N -0.42 2.81 -0.01 2.99 -1.09 -0.86 -1.12 121.20 123.51 1o95 s ILE 155 Ca 0.11 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 57.47 1o95 s ILE 155 Cb -0.12 -2.14 -0.07 0.00 -1.58 0.00 0.00 42.46 38.55 1o95 s ILE 155 CO 0.02 0.54 1.85 -0.60 -1.23 0.00 0.00 174.94 175.52 1o95 s ARG 156 N 0.13 4.12 0.59 2.79 3.52 0.87 -1.90 118.95 129.07 1o95 s ARG 156 Ca -0.08 2.41 -0.19 0.00 -0.13 0.00 0.00 55.73 57.74 1o95 s ARG 156 Cb -0.15 -4.10 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 1o95 s ARG 156 CO 0.05 -0.96 1.23 -1.25 -0.81 0.00 0.00 175.30 173.56 1o95 s PRO 157 N 4.36 2.98 -0.74 5.12 0.04 -1.26 -3.13 135.00 142.38 1o95 s PRO 157 Ca 0.83 1.89 -0.03 0.00 0.04 0.00 0.00 61.00 63.73 1o95 s PRO 157 Cb -0.38 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1o95 s PRO 157 CO 0.37 -1.21 0.36 0.43 0.04 0.00 0.00 177.00 176.98 1o95 n SER 158 N -1.51 -3.86 -0.05 6.66 7.64 -1.26 -4.90 113.62 116.34 1o95 n SER 158 Ca 0.13 -0.16 -0.11 0.00 1.01 0.00 0.00 58.87 59.74 1o95 n SER 158 Cb 0.49 -2.68 -0.04 0.00 -1.01 0.00 0.00 64.21 60.97 1o95 n SER 158 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1o95 n VAL 159 N -3.83 0.87 -3.10 0.44 0.31 -1.18 -5.04 118.33 106.79 1o95 n VAL 159 Ca -0.04 -0.05 -0.40 0.00 -0.01 0.00 0.00 64.34 63.84 1o95 n VAL 159 Cb 0.55 -1.74 -0.05 0.00 -0.91 0.00 0.00 33.84 31.69 1o95 n VAL 159 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1o95 s PHE 160 N -2.28 3.46 0.18 3.52 0.40 -1.26 -4.99 117.98 117.02 1o95 s PHE 160 Ca -0.16 1.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.92 1o95 s PHE 160 Cb 0.05 -2.78 -0.08 0.00 0.51 0.00 0.00 43.02 40.72 1o95 s PHE 160 CO 0.21 -0.05 1.19 0.15 0.70 0.00 0.00 175.22 177.43 1o95 s LYS 161 N 1.40 4.50 1.05 0.44 3.01 -1.26 -4.46 119.74 124.41 1o95 s LYS 161 Ca 0.32 1.87 -0.13 0.00 -1.01 0.00 0.00 55.97 57.01 1o95 s LYS 161 Cb -0.16 -3.24 0.22 0.00 -1.01 0.00 0.00 37.83 33.63 1o95 s LYS 161 CO 0.13 -0.08 1.09 -1.25 0.51 0.00 0.00 175.35 175.74 1o95 s PRO 162 N -0.23 0.02 0.09 -1.68 0.04 -1.26 -4.50 135.00 127.46 1o95 s PRO 162 Ca 0.53 0.45 -0.13 0.00 0.04 0.00 0.00 61.00 61.89 1o95 s PRO 162 Cb -0.32 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1o95 s PRO 162 CO 0.36 -2.99 0.46 -0.51 0.04 0.00 0.00 177.00 174.36 1o95 s LEU 163 N -6.61 4.38 0.37 -3.56 1.43 -1.26 -4.95 118.68 108.47 1o95 s LEU 163 Ca 0.66 0.94 -0.04 0.00 -1.03 0.00 0.00 54.13 54.67 1o95 s LEU 163 Cb -0.18 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 1o95 s LEU 163 CO 0.58 0.18 0.63 -1.83 0.23 0.00 0.00 176.35 176.15 1o95 s GLU 164 N -1.74 3.57 0.00 1.70 4.04 -1.26 -4.82 118.70 120.19 1o95 s GLU 164 Ca 0.33 -0.01 0.00 0.00 0.04 0.00 0.00 54.97 55.33 1o95 s GLU 164 Cb -0.15 -2.56 0.00 0.00 0.02 0.00 0.00 34.13 31.44 1o95 s GLU 164 CO 0.18 0.06 0.00 0.41 -1.84 0.00 0.00 175.26 174.06 1o95 n GLY 165 N -1.59 0.56 0.87 -3.83 0.00 -1.26 -4.58 105.19 95.37 1o95 n GLY 165 Ca -0.02 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 1o95 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o95 n ALA 166 N 0.88 -1.20 -3.61 4.61 0.00 -1.26 -3.32 120.51 116.60 1o95 n ALA 166 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 53.44 52.99 1o95 n ALA 166 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 1o95 n ALA 166 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1o95 s GLY 167 N -2.58 -0.35 -0.50 0.00 0.00 -1.05 -2.26 107.32 100.58 1o95 s GLY 167 Ca 0.18 0.98 0.08 0.00 0.00 0.00 0.00 44.72 45.96 1o95 s GLY 167 CO 0.15 0.29 0.77 1.44 0.00 0.00 0.00 173.10 175.74 1o95 n SER 168 N -0.30 2.56 -4.69 1.64 7.64 -1.26 -4.37 113.62 114.83 1o95 n SER 168 Ca -0.05 -3.27 -0.42 0.00 1.01 0.00 0.00 58.87 56.14 1o95 n SER 168 Cb 0.61 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 1o95 n SER 168 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1o95 s PRO 169 N -2.55 4.26 -0.43 1.43 0.04 -1.24 -4.91 135.00 131.59 1o95 s PRO 169 Ca 0.42 2.09 -0.40 0.00 0.04 0.00 0.00 61.00 63.15 1o95 s PRO 169 Cb 0.25 -3.54 -0.15 0.00 0.04 0.00 0.00 34.50 31.09 1o95 s PRO 169 CO -0.09 -0.61 2.15 0.28 0.04 0.00 0.00 177.00 178.77 1o95 n VAL 170 N 4.61 0.09 -3.32 -0.36 0.31 -1.24 -4.73 118.33 113.69 1o95 n VAL 170 Ca 0.14 -0.12 -0.38 0.00 -0.01 0.00 0.00 64.34 63.97 1o95 n VAL 170 Cb 0.43 -1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 32.27 1o95 n VAL 170 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1o95 s VAL 171 N 6.53 5.05 0.23 2.52 1.01 -1.26 -1.92 120.40 132.56 1o95 s VAL 171 Ca 1.15 1.02 0.07 0.00 0.00 0.00 0.00 61.98 64.22 1o95 s VAL 171 Cb -1.20 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 31.30 1o95 s VAL 171 CO 0.58 0.42 -0.11 -0.94 0.00 0.00 0.00 175.10 175.05 1o95 s SER 172 N -0.06 2.61 0.18 3.32 1.04 -0.84 -4.97 113.70 114.98 1o95 s SER 172 Ca 0.27 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 55.70 1o95 s SER 172 Cb -0.17 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.77 1o95 s SER 172 CO 0.13 -0.23 -0.04 0.20 0.98 0.00 0.00 173.24 174.28 1o95 s ASN 173 N -3.36 4.53 -0.21 7.02 0.01 -1.26 -1.29 114.94 120.38 1o95 s ASN 173 Ca 0.25 -0.50 -0.25 0.00 -0.71 0.00 0.00 52.86 51.65 1o95 s ASN 173 Cb 0.01 -0.87 0.07 0.00 0.41 0.00 0.00 41.25 40.86 1o95 s ASN 173 CO 0.09 0.09 0.68 0.68 -1.51 0.00 0.00 177.10 177.12 1o95 s VAL 174 N -1.77 0.00 0.27 1.60 -7.23 -0.91 -4.90 120.40 107.47 1o95 s VAL 174 Ca 0.27 -0.01 -0.21 0.00 -1.81 0.00 0.00 61.98 60.21 1o95 s VAL 174 Cb -0.09 -0.96 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 1o95 s VAL 174 CO 0.17 -0.01 0.81 -1.81 -0.31 0.00 0.00 175.10 173.95 1o95 s ASP 175 N -0.02 7.11 0.36 4.85 1.01 -1.26 -3.35 116.67 125.37 1o95 s ASP 175 Ca -0.03 1.55 -0.28 0.00 0.71 0.00 0.00 52.55 54.50 1o95 s ASP 175 Cb -0.04 -2.47 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 1o95 s ASP 175 CO 0.03 -0.04 1.30 0.00 0.21 0.00 0.00 175.17 176.67 1o95 s ALA 176 N -1.63 3.41 -0.40 5.23 0.00 -0.84 -4.91 121.76 122.63 1o95 s ALA 176 Ca 0.47 1.25 -0.41 0.00 0.00 0.00 0.00 51.96 53.27 1o95 s ALA 176 Cb -0.16 -3.48 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 1o95 s ALA 176 CO 0.21 -0.70 1.97 -2.30 0.00 0.00 0.00 175.76 174.94 1o95 n PRO 177 N 0.56 0.63 -1.73 0.00 -0.02 -1.26 -4.73 135.00 128.45 1o95 n PRO 177 Ca 0.01 0.20 -0.18 0.00 -2.02 0.00 0.00 63.50 61.52 1o95 n PRO 177 Cb 0.42 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 1o95 n PRO 177 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1o95 s SER 178 N 5.28 4.15 -0.13 2.55 0.01 -1.26 -4.86 113.70 119.44 1o95 s SER 178 Ca 1.09 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.88 1o95 s SER 178 Cb -1.20 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 62.47 1o95 s SER 178 CO 0.63 -3.77 -0.20 -0.69 0.41 0.00 0.00 173.24 169.63 1o95 s VAL 179 N 13.97 2.36 -0.20 3.43 1.01 -1.26 -5.12 120.40 134.59 1o95 s VAL 179 Ca 0.83 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 1o95 s VAL 179 Cb -0.09 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1o95 s VAL 179 CO 0.09 0.54 1.53 -1.58 0.00 0.00 0.00 175.10 175.67 1o95 s GLN 180 N 0.56 3.92 0.24 2.72 -0.44 -1.26 -4.90 119.66 120.50 1o95 s GLN 180 Ca -0.12 1.66 -0.30 0.00 -2.50 0.00 0.00 55.36 54.10 1o95 s GLN 180 Cb -0.16 -3.97 -0.14 0.00 -1.64 0.00 0.00 33.01 27.09 1o95 s GLN 180 CO 0.04 -1.13 1.14 0.45 0.50 0.00 0.00 175.29 176.29 1o95 n SER 181 N 7.91 1.61 0.00 6.67 2.88 -1.26 -4.81 113.62 126.62 1o95 n SER 181 Ca 0.17 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.95 1o95 n SER 181 Cb 0.45 -1.29 0.49 0.00 -0.75 0.00 0.00 64.21 63.11 1o95 n SER 181 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1o95 n ARG 182 N 1.33 0.96 -3.93 -1.46 1.74 -1.26 -4.82 116.66 109.23 1o95 n ARG 182 Ca 0.12 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.98 1o95 n ARG 182 Cb 0.29 -1.27 -0.05 0.00 -1.02 0.00 0.00 32.46 30.41 1o95 n ARG 182 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1o95 n SER 183 N -0.77 2.11 -3.54 0.55 3.41 -1.26 -5.16 113.62 108.96 1o95 n SER 183 Ca 0.12 -2.67 -0.12 0.00 -0.26 0.00 0.00 58.87 55.94 1o95 n SER 183 Cb 0.06 0.53 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 1o95 n SER 183 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1o95 s GLN 184 N -3.28 0.25 0.30 4.33 -1.52 -1.26 -5.12 119.66 113.36 1o95 s GLN 184 Ca 0.08 0.64 -0.29 0.00 -1.95 0.00 0.00 55.36 53.84 1o95 s GLN 184 Cb 0.00 -0.32 -0.10 0.00 -0.22 0.00 0.00 33.01 32.38 1o95 s GLN 184 CO 0.06 -0.45 1.21 -0.80 -0.25 0.00 0.00 175.29 175.05 1o95 s ASN 185 N 2.48 7.02 0.00 5.90 0.01 -1.26 -4.99 114.94 124.10 1o95 s ASN 185 Ca 0.05 2.47 0.00 0.00 -0.71 0.00 0.00 52.86 54.68 1o95 s ASN 185 Cb -0.14 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.89 1o95 s ASN 185 CO -0.12 -0.34 0.00 0.29 -1.51 0.00 0.00 177.10 175.42 1o95 n LYS 186 N 1.05 0.00 -3.45 -0.60 4.76 -1.26 -5.10 118.16 113.56 1o95 n LYS 186 Ca -0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.15 1o95 n LYS 186 Cb 0.43 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.59 1o95 n LYS 186 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1o95 s ASP 187 N -0.14 6.43 1.39 4.39 1.01 -1.26 -5.10 116.67 123.39 1o95 s ASP 187 Ca 0.00 0.63 -0.22 0.00 0.71 0.00 0.00 52.55 53.67 1o95 s ASP 187 Cb 0.00 -2.11 0.35 0.00 1.01 0.00 0.00 42.92 42.17 1o95 s ASP 187 CO 0.00 -0.14 0.81 -1.22 0.21 0.00 0.00 175.17 174.83 1o95 n TYR 188 N -0.80 -3.32 -0.89 4.23 4.02 -1.26 -5.29 117.16 113.85 1o95 n TYR 188 Ca -0.03 -0.63 0.00 0.00 -0.01 0.00 0.00 57.90 57.23 1o95 n TYR 188 Cb 0.54 -1.39 0.00 0.00 -0.02 0.00 0.00 39.34 38.47 1o95 n TYR 188 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13