#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b99 n LYS 3 N 0.00 -0.76 -4.74 -2.82 4.76 -1.26 -4.58 118.16 108.76 2b99 n LYS 3 Ca 0.00 0.96 -0.26 0.00 -2.87 0.00 0.00 58.31 56.13 2b99 n LYS 3 Cb 0.00 -0.58 -0.17 0.00 -1.84 0.00 0.00 35.03 32.44 2b99 n LYS 3 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2b99 s LYS 4 N -2.72 2.03 -0.15 1.97 2.20 -1.26 -2.41 119.74 119.40 2b99 s LYS 4 Ca 0.00 -0.53 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 2b99 s LYS 4 Cb 0.00 -1.62 -0.02 0.00 -1.51 0.00 0.00 37.83 34.67 2b99 s LYS 4 CO 0.00 0.07 -0.07 0.08 -0.36 0.00 0.00 175.35 175.07 2b99 s VAL 5 N 0.58 3.57 -0.14 4.02 1.01 0.25 -0.94 120.40 128.74 2b99 s VAL 5 Ca -0.16 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 2b99 s VAL 5 Cb -0.16 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2b99 s VAL 5 CO 0.05 0.50 0.17 -0.83 0.00 0.00 0.00 175.10 174.99 2b99 s GLY 6 N 0.41 2.15 -0.19 4.51 0.00 -0.12 -2.31 107.32 111.77 2b99 s GLY 6 Ca -0.06 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.06 2b99 s GLY 6 CO 0.04 -0.11 -0.12 -0.42 0.00 0.00 0.00 173.10 172.48 2b99 s ILE 7 N -0.47 1.71 -0.17 0.90 1.01 -0.22 -0.09 121.20 123.87 2b99 s ILE 7 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2b99 s ILE 7 Cb -0.12 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.64 2b99 s ILE 7 CO 0.03 0.27 -0.16 -0.69 0.00 0.00 0.00 174.94 174.39 2b99 s VAL 8 N 1.39 2.51 0.13 2.92 1.01 -0.22 -1.72 120.40 126.41 2b99 s VAL 8 Ca 0.01 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2b99 s VAL 8 Cb -0.15 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 2b99 s VAL 8 CO -0.09 0.51 0.03 -0.90 0.00 0.00 0.00 175.10 174.65 2b99 n ASP 9 N 4.33 1.40 -4.33 3.32 3.85 -0.87 -0.46 116.55 123.79 2b99 n ASP 9 Ca -0.20 -1.64 -0.17 0.00 -0.71 0.00 0.00 54.79 52.08 2b99 n ASP 9 Cb 0.51 0.25 -0.10 0.00 -1.35 0.00 0.00 41.12 40.43 2b99 n ASP 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2b99 s THR 10 N -1.86 0.97 -0.55 2.12 -4.23 -1.25 -1.51 115.64 109.33 2b99 s THR 10 Ca 0.04 -2.02 0.23 0.00 -1.18 0.00 0.00 61.69 58.76 2b99 s THR 10 Cb 0.00 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 2b99 s THR 10 CO 0.03 -0.30 1.15 0.35 -0.54 0.00 0.00 174.62 175.31 2b99 n THR 11 N -0.42 0.32 0.01 3.99 -2.24 -0.71 -4.02 114.28 111.22 2b99 n THR 11 Ca -0.05 -0.31 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 2b99 n THR 11 Cb 0.64 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 2b99 n THR 11 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2b99 h PHE 12 N 0.00 0.90 -3.09 4.78 3.57 -1.47 -3.45 116.94 118.17 2b99 h PHE 12 Ca 0.00 -0.41 -0.58 0.00 3.53 0.00 0.00 57.97 60.51 2b99 h PHE 12 Cb 0.79 -0.13 0.11 0.00 2.79 0.00 0.00 35.95 39.51 2b99 h PHE 12 CO 0.00 1.23 0.39 0.00 -2.23 0.00 0.00 178.31 177.70 2b99 n ALA 13 N -2.58 0.85 0.83 2.41 0.00 -1.26 -4.89 120.51 115.88 2b99 n ALA 13 Ca -0.07 0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.84 2b99 n ALA 13 Cb 0.76 -2.19 0.29 0.00 0.00 0.00 0.00 19.45 18.32 2b99 n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b99 n ARG 14 N 0.56 2.05 -3.85 0.00 1.74 -1.26 -4.85 116.66 111.05 2b99 n ARG 14 Ca 0.06 -1.58 -0.13 0.00 -0.77 0.00 0.00 57.85 55.43 2b99 n ARG 14 Cb 0.35 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.21 2b99 n ARG 14 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2b99 s VAL 15 N -1.64 -0.00 -0.69 1.55 1.01 -1.26 -5.02 120.40 114.35 2b99 s VAL 15 Ca 0.34 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 2b99 s VAL 15 Cb 0.19 -0.04 0.04 0.00 0.00 0.00 0.00 36.38 36.57 2b99 s VAL 15 CO 0.27 0.03 1.16 -0.62 0.00 0.00 0.00 175.10 175.94 2b99 s ASP 16 N 0.29 6.21 0.08 3.32 3.68 -1.26 -4.84 116.67 124.15 2b99 s ASP 16 Ca -0.02 -0.54 0.21 0.00 2.13 0.00 0.00 52.55 54.33 2b99 s ASP 16 Cb -0.04 -2.51 -0.15 0.00 -1.45 0.00 0.00 42.92 38.77 2b99 s ASP 16 CO -0.01 -1.64 0.76 0.23 0.13 0.00 0.00 175.17 174.64 2b99 n MET 17 N 8.66 0.63 -0.12 4.34 2.81 -1.26 -4.45 117.12 127.73 2b99 n MET 17 Ca 0.01 0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.84 2b99 n MET 17 Cb 0.48 -1.70 -0.01 0.00 -0.71 0.00 0.00 33.22 31.28 2b99 n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b99 h ALA 18 N 1.85 0.48 -0.52 3.04 0.00 -1.98 -2.97 119.26 119.17 2b99 h ALA 18 Ca -0.06 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2b99 h ALA 18 Cb 1.16 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2b99 h ALA 18 CO 0.01 0.02 0.17 0.77 0.00 0.00 0.00 179.25 180.22 2b99 h SER 19 N 0.48 0.16 -0.63 0.00 0.02 -2.00 -0.64 113.55 110.94 2b99 h SER 19 Ca 0.13 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2b99 h SER 19 Cb 0.07 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2b99 h SER 19 CO -0.02 0.12 0.21 0.40 -1.14 0.00 0.00 176.83 176.40 2b99 h ILE 20 N 0.34 1.24 0.05 3.27 1.08 -1.80 -1.84 117.51 119.84 2b99 h ILE 20 Ca 0.25 -0.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2b99 h ILE 20 Cb 0.29 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2b99 h ILE 20 CO -0.27 0.32 -0.02 0.00 -0.69 0.00 0.00 178.15 177.49 2b99 h ALA 21 N 1.27 -0.06 -0.48 1.87 0.00 -1.24 -2.31 119.26 118.32 2b99 h ALA 21 Ca 0.22 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2b99 h ALA 21 Cb 0.26 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2b99 h ALA 21 CO -0.01 -0.34 0.17 0.82 0.00 0.00 0.00 179.25 179.89 2b99 h ILE 22 N -0.46 0.84 -0.67 0.00 2.04 -1.07 -0.63 117.51 117.55 2b99 h ILE 22 Ca -0.01 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2b99 h ILE 22 Cb 0.41 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2b99 h ILE 22 CO 0.01 0.06 0.34 0.50 0.00 0.00 0.00 178.15 179.07 2b99 h LYS 23 N 0.34 0.94 -0.45 2.37 3.64 -1.35 -1.20 116.57 120.87 2b99 h LYS 23 Ca 0.23 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 2b99 h LYS 23 Cb 0.24 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2b99 h LYS 23 CO -0.23 0.72 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.28 2b99 h LYS 24 N 0.95 0.90 -0.12 1.90 1.63 -0.67 -2.01 116.57 119.14 2b99 h LYS 24 Ca 0.24 -0.37 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 2b99 h LYS 24 Cb 0.07 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2b99 h LYS 24 CO -0.03 1.02 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.90 2b99 h LEU 25 N 0.73 0.22 -2.17 5.20 3.38 -0.72 -1.72 115.31 120.23 2b99 h LEU 25 Ca 0.11 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2b99 h LEU 25 Cb 0.72 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2b99 h LEU 25 CO 0.05 0.50 -0.02 0.11 0.09 0.00 0.00 178.44 179.17 2b99 h LYS 26 N -0.07 0.00 -0.01 1.13 1.57 -1.24 0.55 116.57 118.49 2b99 h LYS 26 Ca 0.03 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2b99 h LYS 26 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2b99 h LYS 26 CO 0.01 0.02 -0.01 1.49 -0.57 0.00 0.00 179.45 180.39 2b99 h GLU 27 N 0.00 0.02 0.00 3.15 4.81 -1.05 -1.37 114.58 120.14 2b99 h GLU 27 Ca -0.00 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2b99 h GLU 27 Cb 0.05 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2b99 h GLU 27 CO 0.00 0.50 -0.50 -0.07 -0.73 0.00 0.00 179.01 178.21 2b99 h LEU 28 N -0.45 0.00 -6.04 1.64 3.38 -0.56 -3.39 115.31 109.88 2b99 h LEU 28 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.49 2b99 h LEU 28 Cb 0.50 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.92 2b99 h LEU 28 CO 0.00 0.50 -0.87 -0.24 0.09 0.00 0.00 178.44 177.93 2b99 n SER 29 N -3.55 -1.20 -0.40 -0.43 2.88 0.18 -5.03 113.62 106.08 2b99 n SER 29 Ca -0.00 -2.50 0.32 0.00 -1.33 0.00 0.00 58.87 55.36 2b99 n SER 29 Cb 0.60 -0.01 0.60 0.00 -0.75 0.00 0.00 64.21 64.65 2b99 n SER 29 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2b99 h PRO 30 N 5.48 0.16 -0.42 -1.46 0.11 -1.46 0.45 132.00 134.86 2b99 h PRO 30 Ca 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2b99 h PRO 30 Cb 0.96 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2b99 h PRO 30 CO 0.29 0.10 0.00 0.09 -0.21 0.00 0.00 178.00 178.27 2b99 n ASN 31 N -4.77 2.58 -4.78 -2.05 4.13 -1.26 -4.93 115.26 104.19 2b99 n ASN 31 Ca 0.35 -1.94 -0.41 0.00 1.68 0.00 0.00 54.58 54.25 2b99 n ASN 31 Cb 1.27 -0.28 -0.01 0.00 -1.54 0.00 0.00 39.78 39.23 2b99 n ASN 31 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2b99 s ILE 32 N -1.44 2.20 -0.10 2.41 1.10 0.16 -4.57 121.20 120.97 2b99 s ILE 32 Ca 0.34 0.20 -0.07 0.00 -0.51 0.00 0.00 60.65 60.62 2b99 s ILE 32 Cb 0.18 -3.13 -0.04 0.00 0.15 0.00 0.00 42.46 39.62 2b99 s ILE 32 CO 0.25 0.05 0.16 -0.54 -2.11 0.00 0.00 174.94 172.74 2b99 s LYS 33 N -2.04 3.46 -0.06 3.50 1.02 -1.01 -4.97 119.74 119.64 2b99 s LYS 33 Ca 0.52 -0.14 -0.08 0.00 0.02 0.00 0.00 55.97 56.28 2b99 s LYS 33 Cb -0.45 -3.17 0.02 0.00 -0.52 0.00 0.00 37.83 33.71 2b99 s LYS 33 CO 0.61 0.76 0.22 -1.50 -0.92 0.00 0.00 175.35 174.51 2b99 s ILE 34 N -1.09 0.02 0.09 2.17 2.07 -1.26 -0.58 121.20 122.62 2b99 s ILE 34 Ca 0.18 -0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.27 2b99 s ILE 34 Cb -0.12 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 2b99 s ILE 34 CO 0.07 -0.11 -0.15 0.27 -1.91 0.00 0.00 174.94 173.11 2b99 s ILE 35 N -0.37 1.24 0.22 2.00 -0.00 -0.98 -4.98 121.20 118.33 2b99 s ILE 35 Ca -0.05 -1.43 0.11 0.00 -0.00 0.00 0.00 60.65 59.29 2b99 s ILE 35 Cb -0.03 -1.24 -0.05 0.00 -0.00 0.00 0.00 42.46 41.14 2b99 s ILE 35 CO 0.01 -0.25 -0.21 -0.13 -0.00 0.00 0.00 174.94 174.36 2b99 s ARG 36 N -1.97 1.54 -0.21 0.37 0.52 -1.26 -1.05 118.95 116.89 2b99 s ARG 36 Ca 0.01 -1.61 -0.12 0.00 -0.52 0.00 0.00 55.73 53.49 2b99 s ARG 36 Cb -0.09 -1.71 0.06 0.00 0.52 0.00 0.00 34.95 33.74 2b99 s ARG 36 CO 0.03 0.34 0.50 0.21 0.02 0.00 0.00 175.30 176.40 2b99 s LYS 37 N -3.07 0.50 -0.09 3.54 2.20 -0.70 -4.95 119.74 117.17 2b99 s LYS 37 Ca 0.24 0.92 0.02 0.00 -0.36 0.00 0.00 55.97 56.78 2b99 s LYS 37 Cb -0.06 0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.29 2b99 s LYS 37 CO 0.11 -0.15 -0.14 0.99 -0.36 0.00 0.00 175.35 175.81 2b99 s THR 38 N 1.39 3.05 0.38 3.43 2.01 -1.26 -2.05 115.64 122.60 2b99 s THR 38 Ca -0.09 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.28 2b99 s THR 38 Cb -0.07 -2.24 -0.08 0.00 0.01 0.00 0.00 72.50 70.12 2b99 s THR 38 CO -0.14 0.55 0.02 0.68 -0.69 0.00 0.00 174.62 175.04 2b99 s VAL 39 N -0.13 1.79 0.10 3.82 -7.23 -0.57 -4.98 120.40 113.19 2b99 s VAL 39 Ca -0.01 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 2b99 s VAL 39 Cb -0.14 -2.93 -0.11 0.00 0.56 0.00 0.00 36.38 33.76 2b99 s VAL 39 CO 0.03 -0.01 1.61 -0.65 -0.31 0.00 0.00 175.10 175.77 2b99 h PRO 40 N 1.87 -0.65 0.00 4.82 0.11 -1.94 -1.90 132.00 134.31 2b99 h PRO 40 Ca -0.43 0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 2b99 h PRO 40 Cb 1.24 0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.50 2b99 h PRO 40 CO 0.78 -0.43 0.00 0.41 -0.21 0.00 0.00 178.00 178.54 2b99 n GLY 41 N -1.45 2.49 0.37 -0.55 0.00 -1.26 -1.37 105.19 103.41 2b99 n GLY 41 Ca -0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 2b99 n GLY 41 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2b99 n ILE 42 N -0.01 -0.51 0.69 -0.61 2.08 -1.26 -0.67 119.36 119.07 2b99 n ILE 42 Ca -0.00 2.24 0.08 0.00 0.56 0.00 0.00 62.75 65.63 2b99 n ILE 42 Cb 0.01 -2.96 0.39 0.00 -0.75 0.00 0.00 39.64 36.34 2b99 n ILE 42 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 2b99 n LYS 43 N -5.40 0.12 0.00 0.38 5.02 -1.26 -2.44 118.16 114.57 2b99 n LYS 43 Ca 0.10 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 2b99 n LYS 43 Cb 0.38 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 34.02 2b99 n LYS 43 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2b99 n ASP 44 N -1.39 1.30 -0.08 4.39 10.43 0.16 -4.47 116.55 126.89 2b99 n ASP 44 Ca 0.06 -1.04 -0.12 0.00 2.57 0.00 0.00 54.79 56.27 2b99 n ASP 44 Cb 0.16 0.43 -0.05 0.00 1.84 0.00 0.00 41.12 43.51 2b99 n ASP 44 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2b99 h LEU 45 N 1.24 0.44 -0.38 0.64 3.38 -1.45 -3.27 115.31 115.90 2b99 h LEU 45 Ca 0.00 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.66 2b99 h LEU 45 Cb 0.59 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 2b99 h LEU 45 CO 0.00 0.71 -0.44 -0.65 0.09 0.00 0.00 178.44 178.15 2b99 h PRO 46 N 0.16 -0.34 0.00 1.13 0.11 -1.79 0.24 132.00 131.52 2b99 h PRO 46 Ca 0.06 0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.11 2b99 h PRO 46 Cb 0.52 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 2b99 h PRO 46 CO 0.02 -0.22 -0.35 0.28 -0.21 0.00 0.00 178.00 177.52 2b99 h VAL 47 N -0.35 1.05 -0.29 3.15 2.07 -1.88 -0.06 116.25 119.94 2b99 h VAL 47 Ca 0.13 -1.30 -0.14 0.00 0.82 0.00 0.00 66.70 66.20 2b99 h VAL 47 Cb 0.59 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2b99 h VAL 47 CO -0.56 0.35 -0.37 0.00 0.02 0.00 0.00 177.57 177.00 2b99 h ALA 48 N 1.65 0.43 -0.44 1.67 0.00 -1.42 -0.73 119.26 120.42 2b99 h ALA 48 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2b99 h ALA 48 Cb 0.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2b99 h ALA 48 CO 0.05 0.51 0.10 0.00 0.00 0.00 0.00 179.25 179.91 2b99 h LYS 50 N 0.57 0.85 -0.81 0.00 3.64 -0.89 -1.51 116.57 118.41 2b99 h LYS 50 Ca 0.14 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2b99 h LYS 50 Cb 0.32 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2b99 h LYS 50 CO 0.00 0.72 0.44 0.87 -2.27 0.00 0.00 179.45 179.21 2b99 h LYS 51 N 0.78 1.13 -0.40 1.90 1.57 -1.07 -0.25 116.57 120.24 2b99 h LYS 51 Ca 0.19 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 2b99 h LYS 51 Cb 0.18 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2b99 h LYS 51 CO -0.02 0.83 0.02 -0.07 -0.57 0.00 0.00 179.45 179.64 2b99 h LEU 52 N 1.14 0.66 -0.60 2.94 4.07 -1.03 0.96 115.31 123.44 2b99 h LEU 52 Ca 0.29 -0.29 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 2b99 h LEU 52 Cb 0.03 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 2b99 h LEU 52 CO -0.05 0.79 0.08 -0.07 -1.08 0.00 0.00 178.44 178.12 2b99 h LEU 53 N 0.52 0.96 0.00 1.67 3.38 -0.84 -2.39 115.31 118.61 2b99 h LEU 53 Ca 0.11 -0.27 -0.24 0.00 0.09 0.00 0.00 57.88 57.57 2b99 h LEU 53 Cb 0.44 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2b99 h LEU 53 CO 0.02 0.99 -1.85 -0.62 0.09 0.00 0.00 178.44 177.06 2b99 n GLU 54 N -4.28 0.65 -0.00 1.13 1.02 -0.14 -3.95 120.64 115.06 2b99 n GLU 54 Ca 0.03 0.13 0.06 0.00 -0.02 0.00 0.00 57.16 57.35 2b99 n GLU 54 Cb 0.29 -1.69 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 2b99 n GLU 54 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b99 n GLU 55 N -2.82 1.40 -0.03 3.49 1.02 0.33 -4.60 120.64 119.43 2b99 n GLU 55 Ca -0.18 -0.07 0.01 0.00 -0.02 0.00 0.00 57.16 56.90 2b99 n GLU 55 Cb 0.97 -1.20 0.03 0.00 -0.02 0.00 0.00 31.44 31.21 2b99 n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b99 n GLU 56 N -1.68 2.04 -1.31 3.49 -0.58 -0.94 -5.00 120.64 116.68 2b99 n GLU 56 Ca -0.01 -1.37 -0.11 0.00 -0.42 0.00 0.00 57.16 55.26 2b99 n GLU 56 Cb 0.27 -1.06 -0.05 0.00 -0.57 0.00 0.00 31.44 30.03 2b99 n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b99 n GLY 57 N -0.17 1.19 3.75 0.62 0.00 -1.17 -4.98 105.19 104.43 2b99 n GLY 57 Ca 0.02 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2b99 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b99 h ASP 59 N 4.36 0.00 -5.03 0.00 5.19 -1.37 -3.42 116.42 116.15 2b99 h ASP 59 Ca -0.47 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.90 2b99 h ASP 59 Cb 1.22 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.59 2b99 h ASP 59 CO 0.71 0.74 0.07 -0.51 -3.12 0.00 0.00 179.24 177.13 2b99 s ILE 60 N -2.83 0.03 0.03 0.35 2.07 -1.22 -4.50 121.20 115.13 2b99 s ILE 60 Ca 0.01 -0.25 0.03 0.00 -1.41 0.00 0.00 60.65 59.03 2b99 s ILE 60 Cb 0.09 -1.03 -0.02 0.00 0.13 0.00 0.00 42.46 41.63 2b99 s ILE 60 CO 0.79 -0.14 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.91 2b99 s VAL 61 N -3.14 0.61 -0.16 4.00 1.01 -1.03 -0.95 120.40 120.75 2b99 s VAL 61 Ca -0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2b99 s VAL 61 Cb -0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 2b99 s VAL 61 CO -0.07 -0.15 -0.03 -0.04 0.00 0.00 0.00 175.10 174.80 2b99 s MET 62 N -1.05 3.67 -0.26 2.72 -1.94 0.87 -0.46 119.30 122.85 2b99 s MET 62 Ca -0.04 -0.52 -0.05 0.00 -1.71 0.00 0.00 55.69 53.37 2b99 s MET 62 Cb -0.07 -2.93 0.01 0.00 2.01 0.00 0.00 34.83 33.85 2b99 s MET 62 CO 0.00 0.23 0.01 0.00 -0.01 0.00 0.00 175.02 175.25 2b99 s ALA 63 N 0.40 2.91 -0.22 3.03 0.00 -0.33 -1.06 121.76 126.48 2b99 s ALA 63 Ca -0.04 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 2b99 s ALA 63 Cb -0.14 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 2b99 s ALA 63 CO 0.03 -0.78 0.02 -0.51 0.00 0.00 0.00 175.76 174.52 2b99 s LEU 64 N 1.45 3.23 0.16 0.00 1.43 0.40 0.26 118.68 125.60 2b99 s LEU 64 Ca 0.03 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2b99 s LEU 64 Cb -0.16 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.22 2b99 s LEU 64 CO -0.01 0.00 0.33 -0.83 0.23 0.00 0.00 176.35 176.08 2b99 s GLY 65 N 1.37 0.21 -0.29 -3.19 0.00 -0.47 -3.78 107.32 101.17 2b99 s GLY 65 Ca 0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 2b99 s GLY 65 CO 0.01 -0.65 0.12 -0.29 0.00 0.00 0.00 173.10 172.29 2b99 s MET 66 N -3.91 0.33 0.61 2.90 1.75 -1.26 -1.85 119.30 117.86 2b99 s MET 66 Ca 0.12 -0.67 -0.19 0.00 -1.25 0.00 0.00 55.69 53.70 2b99 s MET 66 Cb 0.02 -1.40 -0.03 0.00 2.84 0.00 0.00 34.83 36.26 2b99 s MET 66 CO -0.04 -1.00 1.26 -2.14 -0.65 0.00 0.00 175.02 172.46 2b99 s PRO 67 N 1.97 2.83 0.51 4.11 0.02 -1.25 -4.72 135.00 138.47 2b99 s PRO 67 Ca 0.09 1.99 -0.06 0.00 0.02 0.00 0.00 61.00 63.04 2b99 s PRO 67 Cb -0.16 -1.95 0.11 0.00 0.02 0.00 0.00 34.50 32.52 2b99 s PRO 67 CO -0.33 -1.36 0.70 0.41 -0.33 0.00 0.00 177.00 176.08 2b99 n GLY 68 N 0.71 -0.51 0.00 0.52 0.00 -1.26 -3.71 105.19 100.94 2b99 n GLY 68 Ca 0.14 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2b99 n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b99 n LYS 69 N -2.41 0.00 -0.27 1.61 5.02 -1.26 -4.69 118.16 116.16 2b99 n LYS 69 Ca 0.10 0.45 -0.09 0.00 -2.02 0.00 0.00 58.31 56.74 2b99 n LYS 69 Cb 0.34 -1.39 -0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2b99 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b99 n ALA 70 N -1.84 -1.54 0.32 7.82 0.00 -1.26 -4.73 120.51 119.28 2b99 n ALA 70 Ca 0.00 0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.64 2b99 n ALA 70 Cb 0.00 -0.31 0.57 0.00 0.00 0.00 0.00 19.45 19.71 2b99 n ALA 70 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2b99 h GLU 71 N 0.12 0.00 -0.73 0.00 9.09 -2.01 -1.48 114.58 119.57 2b99 h GLU 71 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 2b99 h GLU 71 Cb 0.29 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.35 2b99 h GLU 71 CO 0.10 0.00 0.46 -0.22 0.05 0.00 0.00 179.01 179.41 2b99 h LYS 72 N 0.00 0.98 -0.90 1.06 1.63 -1.95 -1.39 116.57 115.99 2b99 h LYS 72 Ca 0.00 -0.07 0.08 0.00 -0.85 0.00 0.00 60.65 59.81 2b99 h LYS 72 Cb 0.54 -0.21 -0.06 0.00 -0.60 0.00 0.00 32.23 31.89 2b99 h LYS 72 CO 0.00 0.67 0.58 -0.44 -3.45 0.00 0.00 179.45 176.82 2b99 h ASP 73 N 1.00 0.86 -0.57 4.20 3.32 -1.55 -1.00 116.42 122.67 2b99 h ASP 73 Ca 0.27 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.34 2b99 h ASP 73 Cb -0.07 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 2b99 h ASP 73 CO -0.05 0.52 0.38 0.11 -1.72 0.00 0.00 179.24 178.48 2b99 h LYS 74 N 0.96 0.73 -0.13 3.56 1.57 -1.24 0.27 116.57 122.28 2b99 h LYS 74 Ca 0.41 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.08 2b99 h LYS 74 Cb 0.32 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 2b99 h LYS 74 CO -0.17 0.48 -0.16 0.28 -0.57 0.00 0.00 179.45 179.31 2b99 h VAL 75 N 0.75 1.36 -0.68 0.50 2.07 -1.02 -1.70 116.25 117.53 2b99 h VAL 75 Ca 0.21 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.40 2b99 h VAL 75 Cb -0.05 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2b99 h VAL 75 CO -0.05 0.40 0.42 0.00 0.02 0.00 0.00 177.57 178.36 2b99 h ALA 77 N 1.30 -0.16 -0.83 0.00 0.00 -0.44 0.18 119.26 119.32 2b99 h ALA 77 Ca 0.28 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.28 2b99 h ALA 77 Cb 0.04 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2b99 h ALA 77 CO -0.12 -0.62 0.48 1.25 0.00 0.00 0.00 179.25 180.24 2b99 h HIS 78 N -0.22 0.87 -0.49 0.00 6.17 -0.79 0.28 115.15 120.98 2b99 h HIS 78 Ca 0.04 0.03 -0.13 0.00 0.71 0.00 0.00 60.37 61.02 2b99 h HIS 78 Cb 0.27 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.91 2b99 h HIS 78 CO -0.17 0.37 -0.22 0.93 0.71 0.00 0.00 177.93 179.55 2b99 h GLU 79 N 0.81 1.01 -0.46 5.26 5.08 -0.48 -1.64 114.58 124.17 2b99 h GLU 79 Ca 0.40 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2b99 h GLU 79 Cb 0.35 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2b99 h GLU 79 CO -0.24 1.11 0.16 0.00 -1.00 0.00 0.00 179.01 179.05 2b99 h ALA 80 N 0.87 0.60 -0.65 3.43 0.00 0.54 -2.05 119.26 122.00 2b99 h ALA 80 Ca 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2b99 h ALA 80 Cb 0.80 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2b99 h ALA 80 CO 0.07 0.23 0.28 0.77 0.00 0.00 0.00 179.25 180.59 2b99 h SER 81 N 0.60 0.86 -0.77 0.00 0.02 -0.36 -1.36 113.55 112.55 2b99 h SER 81 Ca 0.15 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2b99 h SER 81 Cb 0.23 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 2b99 h SER 81 CO -0.01 0.76 0.34 -0.07 -1.14 0.00 0.00 176.83 176.71 2b99 h LEU 82 N 0.94 1.04 -0.72 5.07 3.38 -1.00 -0.78 115.31 123.23 2b99 h LEU 82 Ca 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2b99 h LEU 82 Cb 0.15 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2b99 h LEU 82 CO -0.02 0.91 0.33 1.23 0.09 0.00 0.00 178.44 180.97 2b99 h GLY 83 N 1.15 1.12 1.09 0.83 0.00 -0.59 -1.49 103.07 105.18 2b99 h GLY 83 Ca 0.26 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2b99 h GLY 83 CO -0.03 0.54 0.24 1.41 0.00 0.00 0.00 176.54 178.70 2b99 h LEU 84 N 1.01 1.07 -0.45 3.11 3.38 -0.74 -0.73 115.31 121.96 2b99 h LEU 84 Ca 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2b99 h LEU 84 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2b99 h LEU 84 CO -0.03 0.99 0.21 -0.03 0.09 0.00 0.00 178.44 179.67 2b99 h MET 85 N 1.10 0.65 -0.45 1.13 4.05 -0.70 -2.75 114.93 117.96 2b99 h MET 85 Ca 0.24 -0.10 -0.11 0.00 -0.28 0.00 0.00 59.70 59.45 2b99 h MET 85 Cb 0.30 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2b99 h MET 85 CO -0.01 0.56 -0.17 -0.07 0.23 0.00 0.00 176.91 177.45 2b99 h LEU 86 N 0.59 0.86 -1.14 3.39 3.38 -0.99 -2.48 115.31 118.92 2b99 h LEU 86 Ca 0.15 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2b99 h LEU 86 Cb 0.12 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2b99 h LEU 86 CO -0.02 1.02 0.45 0.00 0.09 0.00 0.00 178.44 179.98 2b99 h ALA 87 N 1.05 1.35 -0.11 1.53 0.00 -1.00 -1.45 119.26 120.64 2b99 h ALA 87 Ca 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2b99 h ALA 87 Cb 0.69 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2b99 h ALA 87 CO 0.05 0.55 -0.04 1.96 0.00 0.00 0.00 179.25 181.78 2b99 h GLN 88 N 1.06 0.22 0.00 0.00 4.20 -1.33 -2.62 115.11 116.64 2b99 h GLN 88 Ca 0.27 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2b99 h GLN 88 Cb -0.03 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2b99 h GLN 88 CO -0.05 0.54 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.41 2b99 h LEU 89 N -0.11 0.00 0.00 1.46 3.38 -1.17 0.61 115.31 119.48 2b99 h LEU 89 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2b99 h LEU 89 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2b99 h LEU 89 CO 0.01 0.17 -0.21 0.23 0.09 0.00 0.00 178.44 178.73 2b99 n MET 90 N -4.01 0.25 -0.00 1.13 2.81 -0.57 -3.95 117.12 112.77 2b99 n MET 90 Ca -0.02 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 2b99 n MET 90 Cb 0.26 -1.74 -0.00 0.00 -0.71 0.00 0.00 33.22 31.03 2b99 n MET 90 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2b99 n THR 91 N -2.14 0.00 -2.89 2.03 -2.24 -0.86 -5.01 114.28 103.17 2b99 n THR 91 Ca 0.05 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 2b99 n THR 91 Cb 0.42 0.88 0.03 0.00 -2.10 0.00 0.00 70.33 69.56 2b99 n THR 91 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2b99 n ASN 92 N -1.13 -6.03 -4.07 3.42 5.03 0.21 -4.99 115.26 107.70 2b99 n ASN 92 Ca 0.00 -0.24 -0.18 0.00 0.87 0.00 0.00 54.58 55.03 2b99 n ASN 92 Cb 0.00 -4.88 -0.14 0.00 -1.02 0.00 0.00 39.78 33.75 2b99 n ASN 92 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2b99 s LYS 93 N -5.56 0.78 0.36 3.52 1.02 -1.17 -5.07 119.74 113.62 2b99 s LYS 93 Ca 0.25 -0.53 -0.26 0.00 0.02 0.00 0.00 55.97 55.45 2b99 s LYS 93 Cb -0.11 -0.74 -0.09 0.00 -0.52 0.00 0.00 37.83 36.37 2b99 s LYS 93 CO 0.30 0.19 1.08 -1.01 -0.92 0.00 0.00 175.35 174.99 2b99 s HIS 94 N -0.58 3.35 -0.25 3.18 3.76 -1.26 -4.41 115.29 119.08 2b99 s HIS 94 Ca 0.01 1.66 -0.00 0.00 -0.15 0.00 0.00 55.06 56.58 2b99 s HIS 94 Cb -0.06 -3.21 0.07 0.00 1.11 0.00 0.00 32.58 30.50 2b99 s HIS 94 CO 0.00 -0.67 0.01 0.42 -0.85 0.00 0.00 174.74 173.66 2b99 s ILE 95 N -1.46 1.20 -0.45 0.60 1.01 -1.26 -2.45 121.20 118.39 2b99 s ILE 95 Ca 0.53 -1.20 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 2b99 s ILE 95 Cb -0.26 -1.66 0.02 0.00 0.01 0.00 0.00 42.46 40.57 2b99 s ILE 95 CO 0.33 -0.30 1.22 -0.63 0.00 0.00 0.00 174.94 175.56 2b99 s ILE 96 N 1.52 4.12 -0.24 2.92 -1.09 0.40 -4.90 121.20 123.93 2b99 s ILE 96 Ca 0.00 1.16 -0.27 0.00 -2.23 0.00 0.00 60.65 59.31 2b99 s ILE 96 Cb -0.18 -4.47 0.00 0.00 -1.58 0.00 0.00 42.46 36.23 2b99 s ILE 96 CO -0.11 -0.91 0.92 -0.70 -1.23 0.00 0.00 174.94 172.92 2b99 s GLU 97 N 4.56 4.22 -0.65 2.79 2.12 -1.26 -1.19 118.70 129.30 2b99 s GLU 97 Ca 0.52 1.13 0.03 0.00 0.36 0.00 0.00 54.97 57.01 2b99 s GLU 97 Cb -0.09 -3.64 0.16 0.00 0.26 0.00 0.00 34.13 30.81 2b99 s GLU 97 CO 0.31 -0.57 0.43 0.08 -0.54 0.00 0.00 175.26 174.97 2b99 s VAL 98 N 2.99 2.99 -0.03 3.70 1.01 0.14 -4.95 120.40 126.25 2b99 s VAL 98 Ca 0.39 -3.77 -0.00 0.00 0.00 0.00 0.00 61.98 58.59 2b99 s VAL 98 Cb -0.15 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2b99 s VAL 98 CO 0.07 -0.92 0.02 -0.36 0.00 0.00 0.00 175.10 173.91 2b99 s PHE 99 N -0.89 3.16 -0.17 5.22 2.99 -1.26 -1.37 117.98 125.65 2b99 s PHE 99 Ca 0.21 0.15 -0.03 0.00 0.00 0.00 0.00 56.93 57.27 2b99 s PHE 99 Cb -0.14 -1.73 0.06 0.00 0.00 0.00 0.00 43.02 41.21 2b99 s PHE 99 CO -0.09 0.49 0.05 0.08 -0.00 0.00 0.00 175.22 175.75 2b99 s VAL 100 N -1.05 0.33 0.23 -0.44 1.01 -0.77 -4.98 120.40 114.73 2b99 s VAL 100 Ca 0.18 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 2b99 s VAL 100 Cb -0.12 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 2b99 s VAL 100 CO 0.09 -0.18 0.90 -1.00 0.00 0.00 0.00 175.10 174.90 2b99 s HIS 101 N 1.95 3.94 0.46 5.22 3.76 -1.26 -3.74 115.29 125.61 2b99 s HIS 101 Ca 0.00 1.84 0.23 0.00 -0.15 0.00 0.00 55.06 56.98 2b99 s HIS 101 Cb -0.16 -2.92 1.35 0.00 1.11 0.00 0.00 32.58 31.95 2b99 s HIS 101 CO -0.08 0.44 2.08 0.93 -0.85 0.00 0.00 174.74 177.26 2b99 h GLU 102 N 4.07 0.00 0.00 1.40 5.08 -1.84 -2.22 114.58 121.07 2b99 h GLU 102 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2b99 h GLU 102 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2b99 h GLU 102 CO 0.67 0.12 0.00 -0.44 -1.00 0.00 0.00 179.01 178.36 2b99 h ASP 103 N 0.00 0.00 1.20 1.42 3.45 -1.90 -2.27 116.42 118.31 2b99 h ASP 103 Ca -0.00 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.30 2b99 h ASP 103 Cb 0.26 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.01 2b99 h ASP 103 CO 0.02 0.00 -0.76 -0.33 -1.57 0.00 0.00 179.24 176.59 2b99 h GLU 104 N 0.00 0.00 -6.34 3.56 5.08 -1.80 -3.46 114.58 111.62 2b99 h GLU 104 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2b99 h GLU 104 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2b99 h GLU 104 CO 0.00 0.76 -0.30 0.00 -1.00 0.00 0.00 179.01 178.47 2b99 s ALA 105 N -2.86 3.80 -1.02 3.43 0.00 -0.86 -5.00 121.76 119.26 2b99 s ALA 105 Ca 0.02 -1.00 0.21 0.00 0.00 0.00 0.00 51.96 51.20 2b99 s ALA 105 Cb 0.09 -1.96 -0.15 0.00 0.00 0.00 0.00 23.12 21.11 2b99 s ALA 105 CO 0.78 0.17 0.96 1.63 0.00 0.00 0.00 175.76 179.30 2b99 n LYS 106 N -1.41 0.02 -3.79 0.00 5.02 -1.26 -4.95 118.16 111.79 2b99 n LYS 106 Ca -0.06 -0.02 -0.04 0.00 -2.02 0.00 0.00 58.31 56.17 2b99 n LYS 106 Cb 0.56 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 2b99 n LYS 106 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2b99 s ASP 107 N -2.99 -0.15 0.27 4.39 3.84 -1.26 -5.03 116.67 115.74 2b99 s ASP 107 Ca 0.09 -0.51 0.01 0.00 -0.00 0.00 0.00 52.55 52.14 2b99 s ASP 107 Cb 0.16 0.54 0.37 0.00 -1.38 0.00 0.00 42.92 42.61 2b99 s ASP 107 CO 0.85 -1.01 1.71 0.44 -0.00 0.00 0.00 175.17 177.15 2b99 h ASP 108 N 2.00 0.54 -0.28 2.11 3.45 -1.97 0.19 116.42 122.45 2b99 h ASP 108 Ca -0.24 -0.18 0.03 0.00 0.43 0.00 0.00 57.03 57.06 2b99 h ASP 108 Cb 1.23 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.82 2b99 h ASP 108 CO 0.27 0.77 0.09 0.11 -1.57 0.00 0.00 179.24 178.92 2b99 h LYS 109 N 0.48 0.21 -0.32 3.56 1.79 -1.99 0.19 116.57 120.48 2b99 h LYS 109 Ca 0.07 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.39 2b99 h LYS 109 Cb 0.67 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 2b99 h LYS 109 CO 0.05 0.14 -0.37 1.49 -1.08 0.00 0.00 179.45 179.68 2b99 h GLU 110 N 0.22 0.75 -0.51 3.15 4.81 -1.88 -2.11 114.58 119.01 2b99 h GLU 110 Ca 0.13 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2b99 h GLU 110 Cb 0.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2b99 h GLU 110 CO -0.13 1.00 0.25 1.25 -0.73 0.00 0.00 179.01 180.65 2b99 h LEU 111 N 0.62 0.66 -0.51 1.64 5.85 -0.09 0.27 115.31 123.77 2b99 h LEU 111 Ca 0.06 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2b99 h LEU 111 Cb 0.91 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2b99 h LEU 111 CO 0.08 0.60 0.19 -0.78 -0.34 0.00 0.00 178.44 178.19 2b99 h ASP 112 N 0.68 0.72 0.08 1.25 1.82 -0.58 -1.21 116.42 119.17 2b99 h ASP 112 Ca 0.18 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2b99 h ASP 112 Cb 0.10 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2b99 h ASP 112 CO -0.02 0.70 -0.04 -0.25 -1.61 0.00 0.00 179.24 178.02 2b99 h TRP 113 N 0.69 -0.10 -0.38 0.28 7.01 -1.03 -2.61 115.95 119.82 2b99 h TRP 113 Ca 0.17 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.20 2b99 h TRP 113 Cb 0.22 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 2b99 h TRP 113 CO 0.01 0.10 0.16 1.25 -2.79 0.00 0.00 178.44 177.17 2b99 h LEU 114 N -0.28 0.22 -0.30 0.65 7.12 -0.36 -0.58 115.31 121.78 2b99 h LEU 114 Ca -0.01 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 2b99 h LEU 114 Cb 0.24 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 2b99 h LEU 114 CO 0.02 0.16 0.11 0.00 -0.13 0.00 0.00 178.44 178.60 2b99 h ALA 115 N 1.22 0.40 -0.60 1.25 0.00 -1.24 -0.31 119.26 119.98 2b99 h ALA 115 Ca 0.17 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2b99 h ALA 115 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2b99 h ALA 115 CO -0.14 0.02 0.11 0.87 0.00 0.00 0.00 179.25 180.11 2b99 h LYS 116 N 0.34 0.98 -0.64 0.00 1.57 -1.33 -0.43 116.57 117.06 2b99 h LYS 116 Ca 0.10 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 2b99 h LYS 116 Cb 0.22 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2b99 h LYS 116 CO -0.01 0.91 0.09 -0.09 -0.57 0.00 0.00 179.45 179.78 2b99 h ARG 117 N 0.88 1.07 -0.41 3.15 9.65 -0.98 -0.27 114.38 127.48 2b99 h ARG 117 Ca 0.18 -0.30 -0.15 0.00 -1.10 0.00 0.00 59.98 58.62 2b99 h ARG 117 Cb 0.40 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 2b99 h ARG 117 CO 0.01 1.00 -0.33 -0.09 2.80 0.00 0.00 179.97 183.36 2b99 h ARG 118 N 0.99 0.93 -0.10 0.20 2.43 -0.87 -1.45 114.38 116.51 2b99 h ARG 118 Ca 0.19 -0.46 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 2b99 h ARG 118 Cb 0.46 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2b99 h ARG 118 CO 0.02 1.11 0.05 0.00 -1.51 0.00 0.00 179.97 179.64 2b99 h ALA 119 N 0.84 0.12 -0.58 2.80 0.00 -0.85 -1.66 119.26 119.93 2b99 h ALA 119 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2b99 h ALA 119 Cb 0.91 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2b99 h ALA 119 CO 0.08 -0.34 0.37 1.49 0.00 0.00 0.00 179.25 180.86 2b99 h GLU 120 N 0.05 0.77 -0.48 0.00 4.81 -0.98 -0.83 114.58 117.92 2b99 h GLU 120 Ca 0.03 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2b99 h GLU 120 Cb 0.08 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2b99 h GLU 120 CO -0.01 0.52 0.03 0.93 -0.73 0.00 0.00 179.01 179.76 2b99 h GLU 121 N 0.78 0.77 0.00 1.92 5.08 -1.12 -1.59 114.58 120.43 2b99 h GLU 121 Ca 0.21 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2b99 h GLU 121 Cb -0.07 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 2b99 h GLU 121 CO -0.04 0.75 -0.02 0.45 -1.00 0.00 0.00 179.01 179.15 2b99 h HIS 122 N 0.73 0.00 -0.04 4.33 3.86 -0.97 -2.44 115.15 120.63 2b99 h HIS 122 Ca 0.15 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 2b99 h HIS 122 Cb 0.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2b99 h HIS 122 CO 0.02 0.02 -0.40 0.00 0.86 0.00 0.00 177.93 178.43 2b99 h ALA 123 N 1.98 1.26 -0.11 2.45 0.00 -0.16 -0.94 119.26 123.74 2b99 h ALA 123 Ca -0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 2b99 h ALA 123 Cb 0.79 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2b99 h ALA 123 CO 0.00 0.54 -0.69 0.93 0.00 0.00 0.00 179.25 180.03 2b99 h GLU 124 N 0.07 0.49 -0.50 0.00 5.08 -1.08 -2.37 114.58 116.26 2b99 h GLU 124 Ca 0.00 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2b99 h GLU 124 Cb 0.75 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2b99 h GLU 124 CO 0.06 1.00 0.08 -0.91 -1.00 0.00 0.00 179.01 178.23 2b99 h ASN 125 N 0.34 0.73 -0.41 1.42 2.35 -1.07 0.34 115.58 119.29 2b99 h ASN 125 Ca -0.02 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 2b99 h ASN 125 Cb 1.26 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.42 2b99 h ASN 125 CO 0.12 0.75 0.15 0.58 -1.65 0.00 0.00 177.43 177.38 2b99 h VAL 126 N 0.75 1.21 0.20 2.81 2.07 -1.04 0.04 116.25 122.29 2b99 h VAL 126 Ca 0.16 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2b99 h VAL 126 Cb 0.34 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2b99 h VAL 126 CO 0.01 0.23 -0.29 0.22 0.02 0.00 0.00 177.57 177.76 2b99 h TYR 127 N 0.51 -0.79 -0.94 1.57 3.20 -0.84 -0.86 116.97 118.82 2b99 h TYR 127 Ca 0.13 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.07 2b99 h TYR 127 Cb 0.22 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 2b99 h TYR 127 CO 0.00 -0.41 0.60 1.88 -1.64 0.00 0.00 178.16 178.59 2b99 h TYR 128 N -0.56 1.12 -0.51 -3.82 0.05 -0.78 0.26 116.97 112.73 2b99 h TYR 128 Ca 0.01 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 2b99 h TYR 128 Cb 0.55 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 2b99 h TYR 128 CO -0.23 0.60 0.11 -0.07 -1.05 0.00 0.00 178.16 177.52 2b99 h LEU 129 N 1.12 0.74 0.12 3.88 3.38 -0.57 0.25 115.31 124.24 2b99 h LEU 129 Ca 0.39 -0.14 -0.30 0.00 0.09 0.00 0.00 57.88 57.93 2b99 h LEU 129 Cb 0.10 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 40.68 2b99 h LEU 129 CO -0.15 0.74 -1.25 -0.07 0.09 0.00 0.00 178.44 177.80 2b99 h LEU 130 N 0.76 0.87 0.00 1.67 4.07 -0.33 -3.41 115.31 118.94 2b99 h LEU 130 Ca 0.17 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.32 2b99 h LEU 130 Cb 0.31 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.77 2b99 h LEU 130 CO 0.00 1.61 -0.98 0.49 -1.08 0.00 0.00 178.44 178.48 2b99 n PHE 131 N -3.78 0.00 -2.89 1.13 3.01 0.00 -4.89 117.46 110.04 2b99 n PHE 131 Ca -0.14 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.10 2b99 n PHE 131 Cb 0.99 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.44 2b99 n PHE 131 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2b99 n LYS 132 N -1.98 2.38 0.06 -1.08 0.00 -0.13 -4.89 118.16 112.52 2b99 n LYS 132 Ca 0.00 -4.18 0.21 0.00 0.00 0.00 0.00 58.31 54.34 2b99 n LYS 132 Cb 0.49 -1.97 0.70 0.00 0.00 0.00 0.00 35.03 34.26 2b99 n LYS 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2b99 h PRO 133 N 2.91 0.00 -0.21 1.64 0.13 -1.26 0.15 132.00 135.36 2b99 h PRO 133 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 2b99 h PRO 133 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 2b99 h PRO 133 CO 0.70 0.00 -0.22 0.93 -0.23 0.00 0.00 178.00 179.18 2b99 h GLU 134 N 0.00 0.37 0.01 0.86 5.08 -1.90 -3.07 114.58 115.93 2b99 h GLU 134 Ca 0.23 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2b99 h GLU 134 Cb 1.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2b99 h GLU 134 CO -0.00 0.57 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.62 2b99 h TYR 135 N 0.33 -0.10 -0.98 4.33 3.20 -1.04 -2.50 116.97 120.21 2b99 h TYR 135 Ca 0.06 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.09 2b99 h TYR 135 Cb 0.57 0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.80 2b99 h TYR 135 CO 0.01 -0.06 0.61 -0.07 -1.64 0.00 0.00 178.16 177.02 2b99 h LEU 136 N -0.07 0.78 -1.01 2.82 3.38 -1.64 0.58 115.31 120.15 2b99 h LEU 136 Ca 0.02 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2b99 h LEU 136 Cb 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2b99 h LEU 136 CO -0.04 0.34 -0.03 0.74 0.09 0.00 0.00 178.44 179.54 2b99 h THR 137 N 0.79 1.23 0.00 0.22 2.02 -1.47 -1.46 112.91 114.24 2b99 h THR 137 Ca 0.53 -0.97 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 2b99 h THR 137 Cb 0.79 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2b99 h THR 137 CO -0.31 0.34 -0.13 -0.09 0.37 0.00 0.00 175.52 175.70 2b99 h ARG 138 N 0.64 0.00 -0.72 6.66 2.43 -0.48 -1.43 114.38 121.48 2b99 h ARG 138 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2b99 h ARG 138 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2b99 h ARG 138 CO 0.02 0.13 0.00 -1.33 -1.51 0.00 0.00 179.97 177.28 2b99 n MET 139 N -4.15 2.76 -1.68 0.20 2.81 -0.64 -4.97 117.12 111.46 2b99 n MET 139 Ca -0.02 -2.62 -0.46 0.00 -1.81 0.00 0.00 57.70 52.79 2b99 n MET 139 Cb 0.21 -1.59 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 2b99 n MET 139 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b99 n ALA 140 N 1.57 1.42 -1.00 3.04 0.00 -0.54 -1.72 120.51 123.29 2b99 n ALA 140 Ca 0.24 0.38 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2b99 n ALA 140 Cb 0.63 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2b99 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b99 n GLY 141 N 3.84 0.44 0.10 0.00 0.00 -1.26 -4.91 105.19 103.41 2b99 n GLY 141 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 2b99 n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b99 n LYS 142 N -2.30 0.99 -3.15 1.61 4.76 -0.70 -4.38 118.16 114.99 2b99 n LYS 142 Ca 0.00 -0.21 -0.14 0.00 -2.87 0.00 0.00 58.31 55.09 2b99 n LYS 142 Cb 0.08 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 31.85 2b99 n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b99 n GLY 143 N 1.11 -0.53 3.84 0.72 0.00 -1.26 -2.23 105.19 106.84 2b99 n GLY 143 Ca 0.20 0.22 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 2b99 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b99 s LEU 144 N -5.49 4.07 0.19 0.99 1.43 -1.26 -0.64 118.68 117.97 2b99 s LEU 144 Ca 0.17 1.33 0.06 0.00 -1.03 0.00 0.00 54.13 54.65 2b99 s LEU 144 Cb -0.02 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 42.05 2b99 s LEU 144 CO 0.64 -0.21 -0.10 -0.13 0.23 0.00 0.00 176.35 176.79 2b99 s ARG 145 N -2.94 1.24 -0.21 1.70 1.81 -1.26 -4.82 118.95 114.47 2b99 s ARG 145 Ca 0.54 -1.56 0.01 0.00 -1.72 0.00 0.00 55.73 53.00 2b99 s ARG 145 Cb -0.10 -0.84 0.05 0.00 -0.45 0.00 0.00 34.95 33.60 2b99 s ARG 145 CO 0.17 0.08 -0.08 -0.65 -0.68 0.00 0.00 175.30 174.15 2b99 s GLN 146 N -3.73 1.77 0.00 3.54 1.11 -1.26 -4.73 119.66 116.36 2b99 s GLN 146 Ca 0.22 -0.83 0.00 0.00 0.01 0.00 0.00 55.36 54.75 2b99 s GLN 146 Cb 0.02 -2.40 0.00 0.00 -1.01 0.00 0.00 33.01 29.62 2b99 s GLN 146 CO 0.05 -0.49 0.00 0.41 0.01 0.00 0.00 175.29 175.27 2b99 n GLY 147 N 4.72 1.63 3.91 3.09 0.00 -1.26 -4.72 105.19 112.55 2b99 n GLY 147 Ca -0.13 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 2b99 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b99 s PHE 148 N 0.00 3.25 0.67 1.61 0.08 -1.26 -4.73 117.98 117.60 2b99 s PHE 148 Ca 0.00 0.75 -0.17 0.00 0.12 0.00 0.00 56.93 57.63 2b99 s PHE 148 Cb 0.00 -2.87 -0.10 0.00 -0.57 0.00 0.00 43.02 39.48 2b99 s PHE 148 CO 0.00 -0.97 0.09 -0.85 -0.10 0.00 0.00 175.22 173.40 2b99 n GLU 149 N -2.73 0.17 -1.25 0.44 0.28 -1.26 -4.70 120.64 111.60 2b99 n GLU 149 Ca 0.05 0.08 -0.33 0.00 -0.16 0.00 0.00 57.16 56.80 2b99 n GLU 149 Cb 0.58 -1.39 0.11 0.00 1.43 0.00 0.00 31.44 32.16 2b99 n GLU 149 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2b99 s ASP 150 N -1.20 4.03 -0.11 -1.84 1.01 -1.26 -4.68 116.67 112.62 2b99 s ASP 150 Ca 0.59 2.16 -0.04 0.00 0.71 0.00 0.00 52.55 55.97 2b99 s ASP 150 Cb -0.39 -2.57 -0.26 0.00 1.01 0.00 0.00 42.92 40.72 2b99 s ASP 150 CO 0.64 -2.36 0.41 0.00 0.21 0.00 0.00 175.17 174.07 2b99 n ALA 151 N -3.24 0.97 0.00 5.23 0.00 -0.49 -4.92 120.51 118.06 2b99 n ALA 151 Ca 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2b99 n ALA 151 Cb 0.51 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2b99 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b99 n GLY 152 N 1.93 -1.07 0.00 0.00 0.00 0.19 -5.01 105.19 101.23 2b99 n GLY 152 Ca -0.30 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.17 2b99 n GLY 152 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77