#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b99 s LYS 3 N 0.00 3.55 -0.03 -0.78 -0.14 -1.26 -4.93 119.74 116.16 2b99 s LYS 3 Ca 0.00 0.19 0.06 0.00 -1.36 0.00 0.00 55.97 54.86 2b99 s LYS 3 Cb 0.00 -2.39 -0.01 0.00 -1.68 0.00 0.00 37.83 33.75 2b99 s LYS 3 CO 0.00 -0.18 -0.21 0.21 -0.76 0.00 0.00 175.35 174.41 2b99 s LYS 4 N -4.66 1.82 -0.09 1.68 2.20 -1.26 -1.18 119.74 118.25 2b99 s LYS 4 Ca 0.47 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 55.36 2b99 s LYS 4 Cb -0.10 -1.69 0.01 0.00 -1.51 0.00 0.00 37.83 34.54 2b99 s LYS 4 CO 0.44 0.41 -0.14 0.08 -0.36 0.00 0.00 175.35 175.77 2b99 s VAL 5 N -0.36 1.35 -0.12 4.02 1.01 0.11 -1.05 120.40 125.35 2b99 s VAL 5 Ca 0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2b99 s VAL 5 Cb -0.09 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2b99 s VAL 5 CO 0.00 0.41 0.19 -0.83 0.00 0.00 0.00 175.10 174.87 2b99 s GLY 6 N 0.81 2.19 -0.20 4.51 0.00 -0.16 -2.28 107.32 112.19 2b99 s GLY 6 Ca -0.11 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.05 2b99 s GLY 6 CO 0.02 -0.11 -0.13 -0.42 0.00 0.00 0.00 173.10 172.46 2b99 s ILE 7 N -0.58 1.78 -0.18 0.90 1.01 -0.06 -0.06 121.20 124.02 2b99 s ILE 7 Ca 0.15 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 2b99 s ILE 7 Cb -0.13 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2b99 s ILE 7 CO 0.04 0.24 -0.13 -0.69 0.00 0.00 0.00 174.94 174.40 2b99 s VAL 8 N 1.35 2.72 0.05 2.92 1.01 -0.22 -1.76 120.40 126.47 2b99 s VAL 8 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2b99 s VAL 8 Cb -0.16 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 2b99 s VAL 8 CO -0.09 0.50 0.01 -0.90 0.00 0.00 0.00 175.10 174.62 2b99 n ASP 9 N 4.39 1.34 -4.29 3.32 3.85 -0.86 -0.48 116.55 123.82 2b99 n ASP 9 Ca -0.19 -1.23 -0.15 0.00 -0.71 0.00 0.00 54.79 52.51 2b99 n ASP 9 Cb 0.51 0.09 -0.10 0.00 -1.35 0.00 0.00 41.12 40.26 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 -1.53 0.71 -0.51 2.12 -4.23 -1.25 -1.42 115.64 109.53 2b99 s THR 10 Ca 0.01 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.76 2b99 s THR 10 Cb 0.00 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 2b99 s THR 10 CO 0.01 -0.28 1.09 0.35 -0.54 0.00 0.00 174.62 175.25 2b99 n THR 11 N -0.36 0.31 -0.04 3.99 -2.24 -0.76 -4.06 114.28 111.12 2b99 n THR 11 Ca -0.04 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.25 2b99 n THR 11 Cb 0.64 -0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.09 -2.78 4.78 3.57 -1.46 -3.45 116.94 118.68 2b99 h PHE 12 Ca 0.00 -0.44 -0.59 0.00 3.53 0.00 0.00 57.97 60.47 2b99 h PHE 12 Cb 0.81 -0.18 0.11 0.00 2.79 0.00 0.00 35.95 39.47 2b99 h PHE 12 CO 0.00 1.28 0.29 0.00 -2.23 0.00 0.00 178.31 177.65 2b99 n ALA 13 N -2.59 0.39 0.89 2.41 0.00 -1.26 -4.88 120.51 115.47 2b99 n ALA 13 Ca -0.06 0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.87 2b99 n ALA 13 Cb 0.70 -2.12 0.30 0.00 0.00 0.00 0.00 19.45 18.34 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 0.73 2.01 -3.92 0.00 1.74 -1.26 -4.85 116.66 111.11 2b99 n ARG 14 Ca 0.08 -1.52 -0.14 0.00 -0.77 0.00 0.00 57.85 55.50 2b99 n ARG 14 Cb 0.33 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.68 0.09 -0.67 1.55 1.01 -1.26 -5.02 120.40 114.42 2b99 s VAL 15 Ca 0.34 -0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 2b99 s VAL 15 Cb 0.19 -0.11 0.05 0.00 0.00 0.00 0.00 36.38 36.51 2b99 s VAL 15 CO 0.27 0.05 1.10 -0.62 0.00 0.00 0.00 175.10 175.91 2b99 s ASP 16 N 0.23 6.21 0.10 3.32 3.68 -1.26 -4.84 116.67 124.11 2b99 s ASP 16 Ca -0.02 -0.61 0.22 0.00 2.13 0.00 0.00 52.55 54.27 2b99 s ASP 16 Cb -0.04 -2.49 -0.13 0.00 -1.45 0.00 0.00 42.92 38.81 2b99 s ASP 16 CO -0.01 -1.57 0.81 0.23 0.13 0.00 0.00 175.17 174.76 2b99 n MET 17 N 8.39 0.63 -0.12 4.34 2.81 -1.26 -4.45 117.12 127.46 2b99 n MET 17 Ca 0.01 0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 55.82 2b99 n MET 17 Cb 0.47 -1.71 -0.01 0.00 -0.71 0.00 0.00 33.22 31.26 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 1.94 0.47 -0.38 3.04 0.00 -1.98 -2.99 119.26 119.36 2b99 h ALA 18 Ca -0.02 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.82 2b99 h ALA 18 Cb 1.06 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2b99 h ALA 18 CO 0.00 0.06 0.07 0.77 0.00 0.00 0.00 179.25 180.15 2b99 h SER 19 N 0.44 -0.01 -0.75 0.00 0.02 -2.00 -0.56 113.55 110.69 2b99 h SER 19 Ca 0.12 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2b99 h SER 19 Cb 0.17 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2b99 h SER 19 CO -0.01 0.03 0.37 0.40 -1.14 0.00 0.00 176.83 176.47 2b99 h ILE 20 N 0.19 1.24 0.15 3.27 1.08 -1.81 -1.68 117.51 119.94 2b99 h ILE 20 Ca 0.19 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 2b99 h ILE 20 Cb 0.22 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2b99 h ILE 20 CO -0.25 0.29 -0.07 0.00 -0.69 0.00 0.00 178.15 177.43 2b99 h ALA 21 N 1.31 -0.20 -0.49 1.87 0.00 -1.27 -2.34 119.26 118.14 2b99 h ALA 21 Ca 0.26 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2b99 h ALA 21 Cb 0.11 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 2b99 h ALA 21 CO -0.03 -0.43 0.14 0.82 0.00 0.00 0.00 179.25 179.74 2b99 h ILE 22 N -0.55 0.78 -0.77 0.00 2.04 -1.03 -0.82 117.51 117.17 2b99 h ILE 22 Ca -0.02 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2b99 h ILE 22 Cb 0.42 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2b99 h ILE 22 CO 0.03 0.05 0.47 0.50 0.00 0.00 0.00 178.15 179.20 2b99 h LYS 23 N 0.29 1.03 -0.47 2.37 3.64 -1.32 -1.15 116.57 120.98 2b99 h LYS 23 Ca 0.24 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 2b99 h LYS 23 Cb 0.29 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2b99 h LYS 23 CO -0.28 0.72 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.18 2b99 h LYS 24 N 1.06 0.97 -0.17 1.90 1.63 -0.70 -2.08 116.57 119.17 2b99 h LYS 24 Ca 0.28 -0.42 -0.04 0.00 -0.85 0.00 0.00 60.65 59.62 2b99 h LYS 24 Cb -0.05 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 2b99 h LYS 24 CO -0.05 1.09 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.94 2b99 h LEU 25 N 0.82 0.33 -2.04 5.20 3.38 -0.66 -2.06 115.31 120.26 2b99 h LEU 25 Ca 0.10 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2b99 h LEU 25 Cb 0.80 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2b99 h LEU 25 CO 0.07 0.61 -0.08 0.11 0.09 0.00 0.00 178.44 179.23 2b99 h LYS 26 N 0.04 0.00 0.00 1.13 1.57 -1.23 0.37 116.57 118.45 2b99 h LYS 26 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2b99 h LYS 26 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2b99 h LYS 26 CO 0.02 0.08 -0.00 1.49 -0.57 0.00 0.00 179.45 180.47 2b99 h GLU 27 N 0.00 -0.00 0.00 3.15 4.81 -1.05 0.22 114.58 121.70 2b99 h GLU 27 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 2b99 h GLU 27 Cb 0.19 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2b99 h GLU 27 CO 0.01 0.46 -0.58 -0.07 -0.73 0.00 0.00 179.01 178.10 2b99 h LEU 28 N -0.47 0.00 -5.69 1.64 3.38 -0.83 -3.38 115.31 109.95 2b99 h LEU 28 Ca -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 2b99 h LEU 28 Cb 0.46 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.92 2b99 h LEU 28 CO 0.00 0.58 -0.82 -0.24 0.09 0.00 0.00 178.44 178.05 2b99 n SER 29 N -3.44 -1.39 0.04 -0.43 2.88 0.13 -4.97 113.62 106.43 2b99 n SER 29 Ca 0.00 -2.78 0.01 0.00 -1.33 0.00 0.00 58.87 54.78 2b99 n SER 29 Cb 0.68 0.38 0.07 0.00 -0.75 0.00 0.00 64.21 64.60 2b99 n SER 29 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2b99 n PRO 30 N 2.17 0.02 0.00 -1.46 -0.02 0.76 0.22 135.00 136.69 2b99 n PRO 30 Ca 0.20 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 62.12 2b99 n PRO 30 Cb 0.54 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2b99 n PRO 30 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2b99 n ASN 31 N -1.45 1.88 -4.74 2.55 0.23 -1.26 -4.98 115.26 107.50 2b99 n ASN 31 Ca -0.00 -1.44 -0.34 0.00 -0.53 0.00 0.00 54.58 52.26 2b99 n ASN 31 Cb 0.26 0.43 0.07 0.00 -2.08 0.00 0.00 39.78 38.46 2b99 n ASN 31 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2b99 s ILE 32 N -2.11 2.54 -0.17 1.53 -5.25 0.13 -3.15 121.20 114.72 2b99 s ILE 32 Ca 0.16 0.27 -0.08 0.00 -0.99 0.00 0.00 60.65 60.01 2b99 s ILE 32 Cb 0.15 -2.87 -0.05 0.00 2.95 0.00 0.00 42.46 42.64 2b99 s ILE 32 CO 0.46 -0.13 0.11 -0.54 -1.79 0.00 0.00 174.94 173.05 2b99 s LYS 33 N -3.83 3.92 0.14 0.37 1.02 -0.33 -4.91 119.74 116.12 2b99 s LYS 33 Ca 0.74 -0.23 0.11 0.00 0.02 0.00 0.00 55.97 56.61 2b99 s LYS 33 Cb -0.28 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 2b99 s LYS 33 CO 0.42 0.43 -0.26 0.42 -0.92 0.00 0.00 175.35 175.44 2b99 s ILE 34 N -0.02 2.31 -0.19 2.17 1.01 -1.26 0.07 121.20 125.29 2b99 s ILE 34 Ca 0.09 -1.81 -0.07 0.00 0.00 0.00 0.00 60.65 58.86 2b99 s ILE 34 Cb -0.12 -2.04 0.09 0.00 0.01 0.00 0.00 42.46 40.40 2b99 s ILE 34 CO 0.00 0.04 0.41 -0.63 0.00 0.00 0.00 174.94 174.76 2b99 s ILE 35 N -1.20 -0.58 0.17 2.92 1.01 -0.97 -4.95 121.20 117.60 2b99 s ILE 35 Ca 0.16 0.17 0.04 0.00 0.00 0.00 0.00 60.65 61.02 2b99 s ILE 35 Cb -0.10 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2b99 s ILE 35 CO 0.07 0.07 0.22 -0.13 0.00 0.00 0.00 174.94 175.17 2b99 s ARG 36 N 2.50 3.16 -0.22 2.79 0.52 -1.26 -0.88 118.95 125.56 2b99 s ARG 36 Ca -0.02 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.30 2b99 s ARG 36 Cb -0.12 -2.79 0.07 0.00 0.52 0.00 0.00 34.95 32.64 2b99 s ARG 36 CO -0.12 0.49 0.53 0.21 0.02 0.00 0.00 175.30 176.43 2b99 s LYS 37 N -3.27 0.52 -0.11 3.54 2.20 -0.72 -4.95 119.74 116.95 2b99 s LYS 37 Ca 0.33 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 2b99 s LYS 37 Cb -0.10 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.29 2b99 s LYS 37 CO 0.26 -0.16 -0.12 0.99 -0.36 0.00 0.00 175.35 175.96 2b99 s THR 38 N 1.61 3.22 0.41 3.43 2.01 -1.26 -2.02 115.64 123.04 2b99 s THR 38 Ca -0.09 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.36 2b99 s THR 38 Cb -0.07 -2.34 -0.08 0.00 0.01 0.00 0.00 72.50 70.02 2b99 s THR 38 CO -0.16 0.54 0.01 0.68 -0.69 0.00 0.00 174.62 175.00 2b99 s VAL 39 N 0.02 1.95 0.10 3.82 -7.23 -0.51 -4.98 120.40 113.58 2b99 s VAL 39 Ca -0.03 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.84 2b99 s VAL 39 Cb -0.14 -2.97 -0.11 0.00 0.56 0.00 0.00 36.38 33.72 2b99 s VAL 39 CO 0.04 0.00 1.61 -0.65 -0.31 0.00 0.00 175.10 175.79 2b99 h PRO 40 N 1.77 -0.61 0.00 4.82 0.11 -1.94 -2.01 132.00 134.13 2b99 h PRO 40 Ca -0.44 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2b99 h PRO 40 Cb 1.24 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2b99 h PRO 40 CO 0.80 -0.41 0.00 0.41 -0.21 0.00 0.00 178.00 178.60 2b99 n GLY 41 N -1.44 2.50 0.37 -0.55 0.00 -1.26 -1.32 105.19 103.48 2b99 n GLY 41 Ca -0.08 -1.17 -0.02 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 -0.51 0.99 -0.61 2.08 -1.26 -0.57 119.36 119.47 2b99 n ILE 42 Ca 0.00 2.21 0.09 0.00 0.56 0.00 0.00 62.75 65.61 2b99 n ILE 42 Cb 0.00 -2.90 0.50 0.00 -0.75 0.00 0.00 39.64 36.49 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 -5.36 0.38 0.00 0.38 5.02 -1.26 -2.41 118.16 114.91 2b99 n LYS 43 Ca 0.09 0.07 0.11 0.00 -2.02 0.00 0.00 58.31 56.56 2b99 n LYS 43 Cb 0.36 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.18 1.88 -0.05 4.39 10.43 0.26 -4.51 116.55 127.77 2b99 n ASP 44 Ca 0.11 -1.43 -0.13 0.00 2.57 0.00 0.00 54.79 55.91 2b99 n ASP 44 Cb 0.12 0.48 -0.07 0.00 1.84 0.00 0.00 41.12 43.49 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 2.17 0.29 -0.52 0.64 3.38 -1.46 -3.28 115.31 116.53 2b99 h LEU 45 Ca 0.00 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.60 2b99 h LEU 45 Cb 0.72 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 2b99 h LEU 45 CO 0.00 0.67 -0.47 -0.65 0.09 0.00 0.00 178.44 178.08 2b99 h PRO 46 N -0.09 -0.27 0.00 1.13 0.11 -1.79 0.34 132.00 131.42 2b99 h PRO 46 Ca 0.02 0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 2b99 h PRO 46 Cb 0.57 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2b99 h PRO 46 CO 0.02 -0.18 -0.40 0.28 -0.21 0.00 0.00 178.00 177.51 2b99 h VAL 47 N -0.28 1.22 -0.32 3.15 2.07 -1.89 0.12 116.25 120.33 2b99 h VAL 47 Ca 0.14 -1.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.13 2b99 h VAL 47 Cb 0.57 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2b99 h VAL 47 CO -0.65 0.40 -0.25 0.00 0.02 0.00 0.00 177.57 177.08 2b99 h ALA 48 N 1.60 0.46 -0.56 1.67 0.00 -1.38 -0.28 119.26 120.76 2b99 h ALA 48 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2b99 h ALA 48 Cb 0.75 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2b99 h ALA 48 CO 0.05 0.44 0.17 0.00 0.00 0.00 0.00 179.25 179.92 2b99 h LYS 50 N 0.79 0.94 -0.60 0.00 3.64 -0.79 -1.65 116.57 118.90 2b99 h LYS 50 Ca 0.18 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2b99 h LYS 50 Cb 0.28 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2b99 h LYS 50 CO -0.01 0.86 0.21 0.87 -2.27 0.00 0.00 179.45 179.11 2b99 h LYS 51 N 0.85 0.89 -0.31 1.90 1.57 -0.94 -0.64 116.57 119.90 2b99 h LYS 51 Ca 0.19 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2b99 h LYS 51 Cb 0.34 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2b99 h LYS 51 CO 0.00 0.76 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.56 2b99 h LEU 52 N 0.87 0.54 -0.69 2.94 4.07 -1.10 0.77 115.31 122.73 2b99 h LEU 52 Ca 0.20 -0.32 -0.07 0.00 0.08 0.00 0.00 57.88 57.78 2b99 h LEU 52 Cb 0.22 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 2b99 h LEU 52 CO -0.01 0.73 0.16 -0.07 -1.08 0.00 0.00 178.44 178.16 2b99 h LEU 53 N 0.35 1.05 0.00 1.67 3.38 -0.91 -2.29 115.31 118.57 2b99 h LEU 53 Ca 0.09 -0.24 -0.27 0.00 0.09 0.00 0.00 57.88 57.55 2b99 h LEU 53 Cb 0.45 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2b99 h LEU 53 CO 0.02 1.02 -1.96 -0.62 0.09 0.00 0.00 178.44 176.98 2b99 n GLU 54 N -4.25 0.66 -0.00 1.13 1.02 -0.28 -3.94 120.64 114.97 2b99 n GLU 54 Ca 0.05 0.10 0.06 0.00 -0.02 0.00 0.00 57.16 57.35 2b99 n GLU 54 Cb 0.26 -1.66 -0.09 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 -2.81 1.24 -0.04 3.49 1.02 0.27 -4.59 120.64 119.21 2b99 n GLU 55 Ca -0.21 -0.08 0.02 0.00 -0.02 0.00 0.00 57.16 56.87 2b99 n GLU 55 Cb 1.01 -1.23 0.04 0.00 -0.02 0.00 0.00 31.44 31.24 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 -1.72 2.10 -1.43 3.49 -0.58 -0.89 -5.00 120.64 116.61 2b99 n GLU 56 Ca -0.01 -1.43 -0.11 0.00 -0.42 0.00 0.00 57.16 55.19 2b99 n GLU 56 Cb 0.28 -1.08 -0.04 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 -0.09 1.08 3.75 0.62 0.00 -1.16 -4.98 105.19 104.41 2b99 n GLY 57 Ca 0.03 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 4.37 0.00 -5.03 0.00 5.19 -1.42 -3.42 116.42 116.11 2b99 h ASP 59 Ca -0.46 0.00 -0.04 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 0.75 0.07 -0.51 -3.12 0.00 0.00 179.24 177.14 2b99 s ILE 60 N -2.82 0.03 0.03 0.35 2.07 -1.19 -4.52 121.20 115.15 2b99 s ILE 60 Ca 0.01 -0.24 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 2b99 s ILE 60 Cb 0.09 -1.04 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 2b99 s ILE 60 CO 0.79 -0.13 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.92 2b99 s VAL 61 N -3.20 0.58 -0.16 4.00 1.01 -1.03 -0.98 120.40 120.62 2b99 s VAL 61 Ca -0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2b99 s VAL 61 Cb -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 2b99 s VAL 61 CO -0.08 -0.21 -0.06 -0.04 0.00 0.00 0.00 175.10 174.72 2b99 s MET 62 N -1.15 3.58 -0.25 2.72 -1.94 0.91 -0.40 119.30 122.78 2b99 s MET 62 Ca -0.05 -0.56 -0.06 0.00 -1.71 0.00 0.00 55.69 53.31 2b99 s MET 62 Cb -0.08 -2.87 -0.01 0.00 2.01 0.00 0.00 34.83 33.89 2b99 s MET 62 CO 0.00 0.19 0.02 0.00 -0.01 0.00 0.00 175.02 175.23 2b99 s ALA 63 N 0.48 2.99 -0.21 3.03 0.00 -0.26 -1.05 121.76 126.73 2b99 s ALA 63 Ca -0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 2b99 s ALA 63 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 2b99 s ALA 63 CO 0.03 -0.60 -0.03 -0.51 0.00 0.00 0.00 175.76 174.65 2b99 s LEU 64 N 1.52 3.00 0.11 0.00 1.43 0.37 0.17 118.68 125.27 2b99 s LEU 64 Ca 0.05 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 2b99 s LEU 64 Cb -0.15 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.31 2b99 s LEU 64 CO 0.00 0.00 0.25 -0.83 0.23 0.00 0.00 176.35 176.01 2b99 s GLY 65 N 1.34 0.05 -0.33 -3.19 0.00 -0.50 -3.84 107.32 100.86 2b99 s GLY 65 Ca 0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 44.72 44.24 2b99 s GLY 65 CO -0.01 -0.70 0.11 -0.29 0.00 0.00 0.00 173.10 172.21 2b99 s MET 66 N -3.86 0.83 0.80 2.90 0.00 -1.26 -1.83 119.30 116.88 2b99 s MET 66 Ca 0.06 -1.24 -0.13 0.00 0.00 0.00 0.00 55.69 54.38 2b99 s MET 66 Cb 0.04 -2.11 0.08 0.00 0.00 0.00 0.00 34.83 32.84 2b99 s MET 66 CO -0.10 -1.01 1.19 -2.14 0.00 0.00 0.00 175.02 172.97 2b99 s PRO 67 N 1.42 1.71 0.20 4.11 0.02 -1.23 -4.73 135.00 136.49 2b99 s PRO 67 Ca 0.11 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.82 2b99 s PRO 67 Cb -0.18 -1.79 0.04 0.00 0.02 0.00 0.00 34.50 32.59 2b99 s PRO 67 CO -0.21 -2.15 0.28 0.41 -0.33 0.00 0.00 177.00 175.00 2b99 n GLY 68 N 0.34 0.20 0.13 0.52 0.00 -1.26 -3.66 105.19 101.46 2b99 n GLY 68 Ca 0.13 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 2b99 n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b99 h LYS 69 N 0.00 0.36 -6.78 1.61 1.57 -1.95 -3.43 116.57 107.96 2b99 h LYS 69 Ca -0.09 -0.62 -0.57 0.00 -1.87 0.00 0.00 60.65 57.51 2b99 h LYS 69 Cb 0.31 0.23 0.12 0.00 0.08 0.00 0.00 32.23 32.97 2b99 h LYS 69 CO 0.09 1.26 0.48 0.00 -0.57 0.00 0.00 179.45 180.71 2b99 n ALA 70 N -2.78 1.24 0.31 3.86 0.00 -1.26 -4.83 120.51 117.05 2b99 n ALA 70 Ca -0.21 0.31 0.19 0.00 0.00 0.00 0.00 53.44 53.72 2b99 n ALA 70 Cb 1.07 -2.25 0.97 0.00 0.00 0.00 0.00 19.45 19.24 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 2.29 0.00 0.00 0.00 4.11 -2.00 0.96 114.58 119.94 2b99 h GLU 71 Ca -0.47 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.86 2b99 h GLU 71 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2b99 h GLU 71 CO 0.61 0.00 -0.48 0.87 0.07 0.00 0.00 179.01 180.08 2b99 h LYS 72 N 0.00 0.00 0.00 1.06 1.57 -1.96 -1.62 116.57 115.62 2b99 h LYS 72 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2b99 h LYS 72 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2b99 h LYS 72 CO -0.00 0.48 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.47 2b99 h ASP 73 N 0.00 0.00 0.30 0.86 5.19 0.66 -2.28 116.42 121.14 2b99 h ASP 73 Ca -0.00 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.23 2b99 h ASP 73 Cb 0.90 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 2b99 h ASP 73 CO 0.06 0.45 -0.69 0.11 -3.12 0.00 0.00 179.24 176.05 2b99 h LYS 74 N 0.00 0.35 -0.11 3.56 1.57 -1.02 -1.62 116.57 119.30 2b99 h LYS 74 Ca -0.00 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 2b99 h LYS 74 Cb 1.00 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 2b99 h LYS 74 CO 0.06 0.91 -0.12 0.28 -0.57 0.00 0.00 179.45 180.01 2b99 h VAL 75 N 0.25 1.36 -0.72 0.50 2.07 -1.24 -1.58 116.25 116.89 2b99 h VAL 75 Ca -0.02 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.24 2b99 h VAL 75 Cb 1.25 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.94 2b99 h VAL 75 CO 0.11 0.37 0.43 0.00 0.02 0.00 0.00 177.57 178.51 2b99 h ALA 77 N 1.33 -0.11 -0.87 0.00 0.00 -1.22 0.17 119.26 118.56 2b99 h ALA 77 Ca 0.30 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.31 2b99 h ALA 77 Cb 0.09 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2b99 h ALA 77 CO -0.14 -0.59 0.52 1.25 0.00 0.00 0.00 179.25 180.29 2b99 h HIS 78 N -0.17 0.95 -0.44 0.00 6.17 -0.62 0.28 115.15 121.33 2b99 h HIS 78 Ca 0.04 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.01 2b99 h HIS 78 Cb 0.21 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 29.83 2b99 h HIS 78 CO -0.16 0.41 -0.27 0.93 0.71 0.00 0.00 177.93 179.56 2b99 h GLU 79 N 0.89 0.96 -0.36 5.26 5.08 -0.45 -1.63 114.58 124.32 2b99 h GLU 79 Ca 0.41 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2b99 h GLU 79 Cb 0.34 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2b99 h GLU 79 CO -0.23 1.11 0.14 0.00 -1.00 0.00 0.00 179.01 179.03 2b99 h ALA 80 N 0.83 0.47 -0.74 3.43 0.00 0.37 -2.08 119.26 121.53 2b99 h ALA 80 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2b99 h ALA 80 Cb 0.85 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2b99 h ALA 80 CO 0.08 0.07 0.42 0.77 0.00 0.00 0.00 179.25 180.59 2b99 h SER 81 N 0.44 0.90 -0.62 0.00 0.02 -0.37 -1.35 113.55 112.58 2b99 h SER 81 Ca 0.12 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2b99 h SER 81 Cb 0.19 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2b99 h SER 81 CO -0.01 0.71 0.23 -0.07 -1.14 0.00 0.00 176.83 176.55 2b99 h LEU 82 N 1.03 0.90 -0.64 5.07 3.38 -1.02 -0.88 115.31 123.14 2b99 h LEU 82 Ca 0.26 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2b99 h LEU 82 Cb -0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2b99 h LEU 82 CO -0.05 0.83 0.12 1.23 0.09 0.00 0.00 178.44 180.66 2b99 h GLY 83 N 1.04 1.13 1.18 0.83 0.00 -0.59 -1.69 103.07 104.98 2b99 h GLY 83 Ca 0.22 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 2b99 h GLY 83 CO -0.01 0.69 0.20 1.41 0.00 0.00 0.00 176.54 178.82 2b99 h LEU 84 N 0.97 0.96 -0.29 3.11 3.38 -0.78 -0.49 115.31 122.17 2b99 h LEU 84 Ca 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2b99 h LEU 84 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2b99 h LEU 84 CO 0.01 0.91 0.13 -0.03 0.09 0.00 0.00 178.44 179.54 2b99 h MET 85 N 0.99 0.42 -0.58 1.13 4.05 -0.83 -2.71 114.93 117.41 2b99 h MET 85 Ca 0.22 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.48 2b99 h MET 85 Cb 0.30 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 2b99 h MET 85 CO -0.01 0.43 0.02 -0.07 0.23 0.00 0.00 176.91 177.51 2b99 h LEU 86 N 0.33 0.95 -0.91 3.39 3.38 -1.01 -2.41 115.31 119.04 2b99 h LEU 86 Ca 0.10 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2b99 h LEU 86 Cb 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2b99 h LEU 86 CO -0.01 0.99 0.60 0.00 0.09 0.00 0.00 178.44 180.11 2b99 h ALA 87 N 1.11 1.15 -0.15 1.53 0.00 -0.98 -1.29 119.26 120.63 2b99 h ALA 87 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2b99 h ALA 87 Cb 0.50 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2b99 h ALA 87 CO 0.02 0.55 0.04 1.96 0.00 0.00 0.00 179.25 181.82 2b99 h GLN 88 N 1.23 0.23 0.00 0.00 4.20 -1.29 -2.42 115.11 117.06 2b99 h GLN 88 Ca 0.33 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 2b99 h GLN 88 Cb -0.14 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 2b99 h GLN 88 CO -0.07 0.37 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.23 2b99 h LEU 89 N 0.05 0.00 0.00 1.46 3.38 -1.10 0.60 115.31 119.70 2b99 h LEU 89 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2b99 h LEU 89 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2b99 h LEU 89 CO -0.00 0.16 -0.13 0.23 0.09 0.00 0.00 178.44 178.80 2b99 n MET 90 N -4.16 0.27 -0.00 1.13 2.81 -0.52 -3.92 117.12 112.73 2b99 n MET 90 Ca -0.02 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2b99 n MET 90 Cb 0.24 -1.78 -0.00 0.00 -0.71 0.00 0.00 33.22 30.96 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 -2.23 0.00 -2.68 2.03 -2.24 -0.85 -5.01 114.28 103.30 2b99 n THR 91 Ca 0.05 -0.34 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 2b99 n THR 91 Cb 0.43 0.84 0.01 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.16 -5.67 -4.09 3.42 5.03 0.21 -4.99 115.26 108.00 2b99 n ASN 92 Ca 0.00 -0.15 -0.19 0.00 0.87 0.00 0.00 54.58 55.11 2b99 n ASN 92 Cb 0.00 -4.60 -0.14 0.00 -1.02 0.00 0.00 39.78 34.03 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 -5.30 0.83 0.38 3.52 1.02 -1.18 -5.07 119.74 113.94 2b99 s LYS 93 Ca 0.15 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.31 2b99 s LYS 93 Cb -0.07 -0.80 -0.09 0.00 -0.52 0.00 0.00 37.83 36.36 2b99 s LYS 93 CO 0.18 0.20 1.07 -1.01 -0.92 0.00 0.00 175.35 174.88 2b99 s HIS 94 N -0.63 3.30 -0.22 3.18 3.76 -1.26 -4.39 115.29 119.03 2b99 s HIS 94 Ca 0.01 1.64 -0.01 0.00 -0.15 0.00 0.00 55.06 56.56 2b99 s HIS 94 Cb -0.06 -3.19 0.06 0.00 1.11 0.00 0.00 32.58 30.50 2b99 s HIS 94 CO 0.00 -0.70 -0.01 0.42 -0.85 0.00 0.00 174.74 173.60 2b99 s ILE 95 N -1.54 1.09 -0.46 0.60 1.01 -1.26 -2.45 121.20 118.19 2b99 s ILE 95 Ca 0.55 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 2b99 s ILE 95 Cb -0.25 -1.46 0.03 0.00 0.01 0.00 0.00 42.46 40.79 2b99 s ILE 95 CO 0.31 -0.15 1.09 -0.63 0.00 0.00 0.00 174.94 175.56 2b99 s ILE 96 N 1.60 4.29 -0.21 2.92 -1.09 0.47 -4.91 121.20 124.28 2b99 s ILE 96 Ca -0.04 1.19 -0.27 0.00 -2.23 0.00 0.00 60.65 59.30 2b99 s ILE 96 Cb -0.18 -4.55 -0.00 0.00 -1.58 0.00 0.00 42.46 36.15 2b99 s ILE 96 CO -0.07 -0.91 0.91 -0.70 -1.23 0.00 0.00 174.94 172.94 2b99 s GLU 97 N 4.22 4.26 -0.61 2.79 2.12 -1.26 -1.11 118.70 129.11 2b99 s GLU 97 Ca 0.45 1.14 0.04 0.00 0.36 0.00 0.00 54.97 56.97 2b99 s GLU 97 Cb -0.08 -3.61 0.15 0.00 0.26 0.00 0.00 34.13 30.84 2b99 s GLU 97 CO 0.29 -0.48 0.38 0.08 -0.54 0.00 0.00 175.26 174.98 2b99 s VAL 98 N 2.69 2.70 -0.03 3.70 1.01 0.13 -4.95 120.40 125.65 2b99 s VAL 98 Ca 0.40 -3.79 0.00 0.00 0.00 0.00 0.00 61.98 58.59 2b99 s VAL 98 Cb -0.16 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2b99 s VAL 98 CO 0.09 -0.91 0.01 -0.36 0.00 0.00 0.00 175.10 173.94 2b99 s PHE 99 N -0.87 3.14 -0.18 5.22 2.99 -1.26 -1.42 117.98 125.61 2b99 s PHE 99 Ca 0.21 0.14 -0.03 0.00 0.00 0.00 0.00 56.93 57.25 2b99 s PHE 99 Cb -0.15 -1.72 0.06 0.00 0.00 0.00 0.00 43.02 41.21 2b99 s PHE 99 CO -0.09 0.48 0.05 0.08 -0.00 0.00 0.00 175.22 175.74 2b99 s VAL 100 N -1.03 0.33 0.23 -0.44 1.01 -0.76 -4.99 120.40 114.75 2b99 s VAL 100 Ca 0.18 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 2b99 s VAL 100 Cb -0.12 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 2b99 s VAL 100 CO 0.08 -0.21 0.92 -1.00 0.00 0.00 0.00 175.10 174.90 2b99 s HIS 101 N 1.95 3.98 0.49 5.22 3.76 -1.26 -3.55 115.29 125.87 2b99 s HIS 101 Ca 0.00 1.88 0.23 0.00 -0.15 0.00 0.00 55.06 57.03 2b99 s HIS 101 Cb -0.16 -2.96 1.42 0.00 1.11 0.00 0.00 32.58 31.99 2b99 s HIS 101 CO -0.08 0.46 2.12 0.93 -0.85 0.00 0.00 174.74 177.32 2b99 h GLU 102 N 4.19 0.00 0.00 1.40 5.08 -1.82 -2.09 114.58 121.34 2b99 h GLU 102 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 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 0.68 0.09 0.00 -0.44 -1.00 0.00 0.00 179.01 178.33 2b99 h ASP 103 N 0.00 0.00 1.16 1.42 3.45 -1.90 -2.31 116.42 118.24 2b99 h ASP 103 Ca -0.00 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.29 2b99 h ASP 103 Cb 0.19 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 2b99 h ASP 103 CO 0.01 0.00 -0.79 -0.33 -1.57 0.00 0.00 179.24 176.56 2b99 h GLU 104 N 0.00 0.00 -6.39 3.56 5.08 -1.77 -3.46 114.58 111.60 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 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2b99 h GLU 104 CO 0.00 0.79 -0.27 0.00 -1.00 0.00 0.00 179.01 178.53 2b99 s ALA 105 N -2.85 3.77 -2.74 3.43 0.00 -0.87 -4.99 121.76 117.52 2b99 s ALA 105 Ca 0.02 -0.96 0.25 0.00 0.00 0.00 0.00 51.96 51.27 2b99 s ALA 105 Cb 0.09 -2.01 0.37 0.00 0.00 0.00 0.00 23.12 21.58 2b99 s ALA 105 CO 0.79 0.13 1.36 1.63 0.00 0.00 0.00 175.76 179.66 2b99 n LYS 106 N -1.47 2.01 -3.77 0.00 5.02 -1.26 -4.95 118.16 113.73 2b99 n LYS 106 Ca -0.06 -1.57 0.04 0.00 -2.02 0.00 0.00 58.31 54.71 2b99 n LYS 106 Cb 0.56 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.07 -0.01 0.12 4.39 3.84 -1.26 -5.02 116.67 116.66 2b99 s ASP 107 Ca 0.29 -0.04 -0.15 0.00 -0.00 0.00 0.00 52.55 52.65 2b99 s ASP 107 Cb 0.20 0.04 -0.03 0.00 -1.38 0.00 0.00 42.92 41.75 2b99 s ASP 107 CO 0.35 -0.07 1.56 0.44 -0.00 0.00 0.00 175.17 177.44 2b99 h ASP 108 N 2.00 0.69 -0.87 2.11 3.45 -1.97 0.76 116.42 122.59 2b99 h ASP 108 Ca -0.27 -0.32 0.14 0.00 0.43 0.00 0.00 57.03 57.00 2b99 h ASP 108 Cb 1.18 -0.19 -0.14 0.00 -0.56 0.00 0.00 39.33 39.62 2b99 h ASP 108 CO 0.30 0.84 -0.38 0.50 -1.57 0.00 0.00 179.24 178.93 2b99 h LYS 109 N 0.52 -0.05 -0.04 3.56 3.64 -2.00 0.68 116.57 122.88 2b99 h LYS 109 Ca 0.11 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 2b99 h LYS 109 Cb 0.50 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2b99 h LYS 109 CO 0.02 -0.04 -0.74 1.49 -2.27 0.00 0.00 179.45 177.92 2b99 h GLU 110 N -0.05 0.27 -0.40 1.90 4.81 -1.92 -2.94 114.58 116.24 2b99 h GLU 110 Ca 0.30 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2b99 h GLU 110 Cb 0.58 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2b99 h GLU 110 CO -0.89 0.89 0.16 1.25 -0.73 0.00 0.00 179.01 179.69 2b99 h LEU 111 N 0.18 0.55 -0.64 1.64 5.85 0.21 0.18 115.31 123.28 2b99 h LEU 111 Ca -0.03 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2b99 h LEU 111 Cb 1.31 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2b99 h LEU 111 CO 0.12 0.57 0.32 -0.78 -0.34 0.00 0.00 178.44 178.33 2b99 h ASP 112 N 0.49 0.83 0.07 1.25 1.82 0.12 -1.11 116.42 119.89 2b99 h ASP 112 Ca 0.13 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2b99 h ASP 112 Cb 0.19 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.99 2b99 h ASP 112 CO -0.01 0.71 -0.03 -0.25 -1.61 0.00 0.00 179.24 178.05 2b99 h TRP 113 N 0.88 -0.09 -0.54 0.28 7.01 -1.30 -2.65 115.95 119.55 2b99 h TRP 113 Ca 0.22 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.25 2b99 h TRP 113 Cb 0.09 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 2b99 h TRP 113 CO -0.00 0.14 0.31 1.25 -2.79 0.00 0.00 178.44 177.35 2b99 h LEU 114 N -0.31 0.49 -0.18 0.65 7.12 -0.52 -0.40 115.31 122.16 2b99 h LEU 114 Ca -0.01 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 2b99 h LEU 114 Cb 0.27 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.30 2b99 h LEU 114 CO 0.02 0.34 0.03 0.00 -0.13 0.00 0.00 178.44 178.70 2b99 h ALA 115 N 1.25 0.24 -0.68 1.25 0.00 -1.22 -0.76 119.26 119.34 2b99 h ALA 115 Ca 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2b99 h ALA 115 Cb 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2b99 h ALA 115 CO -0.11 -0.09 0.24 0.87 0.00 0.00 0.00 179.25 180.15 2b99 h LYS 116 N 0.09 1.04 -0.56 0.00 1.57 -1.35 0.01 116.57 117.36 2b99 h LYS 116 Ca 0.05 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2b99 h LYS 116 Cb 0.31 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2b99 h LYS 116 CO 0.00 0.89 0.18 -0.09 -0.57 0.00 0.00 179.45 179.86 2b99 h ARG 117 N 0.98 0.88 -0.42 3.15 9.65 -0.97 -0.16 114.38 127.49 2b99 h ARG 117 Ca 0.22 -0.19 -0.14 0.00 -1.10 0.00 0.00 59.98 58.77 2b99 h ARG 117 Cb 0.26 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2b99 h ARG 117 CO -0.01 0.79 -0.31 -0.09 2.80 0.00 0.00 179.97 183.15 2b99 h ARG 118 N 0.79 0.92 -0.19 0.20 2.43 -0.92 -1.22 114.38 116.40 2b99 h ARG 118 Ca 0.18 -0.44 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2b99 h ARG 118 Cb 0.28 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2b99 h ARG 118 CO -0.01 1.10 0.10 0.00 -1.51 0.00 0.00 179.97 179.65 2b99 h ALA 119 N 0.87 0.25 -0.68 2.80 0.00 -0.75 -1.68 119.26 120.06 2b99 h ALA 119 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2b99 h ALA 119 Cb 0.88 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2b99 h ALA 119 CO 0.08 -0.21 0.33 1.49 0.00 0.00 0.00 179.25 180.94 2b99 h GLU 120 N 0.20 0.98 -0.41 0.00 4.81 -0.93 -1.02 114.58 118.21 2b99 h GLU 120 Ca 0.07 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 2b99 h GLU 120 Cb 0.08 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2b99 h GLU 120 CO -0.01 0.77 -0.09 0.93 -0.73 0.00 0.00 179.01 179.88 2b99 h GLU 121 N 0.95 0.70 0.00 1.92 5.08 -1.05 -1.82 114.58 120.35 2b99 h GLU 121 Ca 0.23 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2b99 h GLU 121 Cb 0.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2b99 h GLU 121 CO -0.03 0.78 -0.18 0.45 -1.00 0.00 0.00 179.01 179.02 2b99 h HIS 122 N 0.64 0.00 -0.15 4.33 3.86 -1.05 -2.42 115.15 120.37 2b99 h HIS 122 Ca 0.12 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 2b99 h HIS 122 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2b99 h HIS 122 CO 0.02 0.18 -0.19 0.00 0.86 0.00 0.00 177.93 178.80 2b99 h ALA 123 N 1.82 1.41 -0.17 2.45 0.00 -0.34 -0.51 119.26 123.91 2b99 h ALA 123 Ca -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 2b99 h ALA 123 Cb 0.92 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2b99 h ALA 123 CO 0.02 0.41 -0.58 0.93 0.00 0.00 0.00 179.25 180.04 2b99 h GLU 124 N 0.23 0.54 -0.39 0.00 5.08 -1.07 -2.42 114.58 116.54 2b99 h GLU 124 Ca 0.04 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 2b99 h GLU 124 Cb 0.48 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2b99 h GLU 124 CO 0.03 0.96 0.00 -0.91 -1.00 0.00 0.00 179.01 178.10 2b99 h ASN 125 N 0.41 0.58 -0.33 1.42 2.35 -0.93 0.47 115.58 119.55 2b99 h ASN 125 Ca 0.00 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 2b99 h ASN 125 Cb 1.12 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 2b99 h ASN 125 CO 0.11 0.65 0.08 0.58 -1.65 0.00 0.00 177.43 177.19 2b99 h VAL 126 N 0.59 1.22 0.04 2.81 2.07 -0.97 -0.62 116.25 121.40 2b99 h VAL 126 Ca 0.12 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.91 2b99 h VAL 126 Cb 0.37 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2b99 h VAL 126 CO 0.01 0.26 -0.24 0.22 0.02 0.00 0.00 177.57 177.84 2b99 h TYR 127 N 0.38 -0.64 -0.95 1.57 3.20 -0.86 -1.01 116.97 118.67 2b99 h TYR 127 Ca 0.10 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.01 2b99 h TYR 127 Cb 0.31 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 2b99 h TYR 127 CO 0.02 -0.33 0.62 1.88 -1.64 0.00 0.00 178.16 178.71 2b99 h TYR 128 N -0.40 1.18 -0.54 -3.82 0.05 -0.80 0.45 116.97 113.09 2b99 h TYR 128 Ca 0.05 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 2b99 h TYR 128 Cb 0.46 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2b99 h TYR 128 CO -0.26 0.71 0.11 -0.07 -1.05 0.00 0.00 178.16 177.60 2b99 h LEU 129 N 1.24 0.80 0.02 3.88 3.38 -0.70 0.62 115.31 124.55 2b99 h LEU 129 Ca 0.36 -0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.95 2b99 h LEU 129 Cb -0.08 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.48 2b99 h LEU 129 CO -0.10 0.80 -0.91 -0.07 0.09 0.00 0.00 178.44 178.26 2b99 h LEU 130 N 0.81 0.76 0.00 1.67 4.07 -0.48 -3.41 115.31 118.75 2b99 h LEU 130 Ca 0.17 -0.76 -0.01 0.00 0.08 0.00 0.00 57.88 57.36 2b99 h LEU 130 Cb 0.33 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2b99 h LEU 130 CO 0.00 1.43 -1.03 0.49 -1.08 0.00 0.00 178.44 178.25 2b99 n PHE 131 N -3.98 0.00 -2.89 1.13 3.01 0.08 -4.88 117.46 109.93 2b99 n PHE 131 Ca -0.11 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.13 2b99 n PHE 131 Cb 0.82 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 40.25 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 -1.99 2.38 0.10 -1.08 0.00 -0.02 -4.88 118.16 112.66 2b99 n LYS 132 Ca -0.01 -4.18 0.20 0.00 0.00 0.00 0.00 58.31 54.32 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 -0.12 1.64 0.13 -1.20 0.18 132.00 135.54 2b99 h PRO 133 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 2b99 h PRO 133 Cb 0.80 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 -0.33 0.93 -0.23 0.00 0.00 178.00 179.07 2b99 h GLU 134 N 0.00 0.24 0.05 0.86 5.08 -1.90 -3.10 114.58 115.82 2b99 h GLU 134 Ca 0.20 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2b99 h GLU 134 Cb 1.27 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2b99 h GLU 134 CO -0.00 0.55 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.60 2b99 h TYR 135 N 0.21 -0.09 -0.97 4.33 3.20 -0.98 -2.55 116.97 120.11 2b99 h TYR 135 Ca 0.03 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.06 2b99 h TYR 135 Cb 0.68 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.90 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 -0.09 0.75 -0.96 2.82 3.38 -1.65 0.50 115.31 120.07 2b99 h LEU 136 Ca -0.00 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2b99 h LEU 136 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2b99 h LEU 136 CO 0.00 0.33 -0.04 0.74 0.09 0.00 0.00 178.44 179.56 2b99 h THR 137 N 0.77 1.24 0.00 0.22 2.02 -1.49 -1.46 112.91 114.20 2b99 h THR 137 Ca 0.52 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 2b99 h THR 137 Cb 0.80 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2b99 h THR 137 CO -0.29 0.35 -0.14 -0.09 0.37 0.00 0.00 175.52 175.71 2b99 h ARG 138 N 0.67 0.00 -0.68 6.66 2.43 -0.52 -1.42 114.38 121.51 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 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2b99 h ARG 138 CO 0.02 0.14 0.00 -1.33 -1.51 0.00 0.00 179.97 177.29 2b99 n MET 139 N -4.30 2.86 -1.67 0.20 2.81 -0.64 -4.97 117.12 111.41 2b99 n MET 139 Ca -0.03 -2.54 -0.47 0.00 -1.81 0.00 0.00 57.70 52.86 2b99 n MET 139 Cb 0.21 -1.62 -0.04 0.00 -0.71 0.00 0.00 33.22 31.06 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 1.40 1.23 -1.65 3.04 0.00 -0.54 -2.16 120.51 121.83 2b99 n ALA 140 Ca 0.23 0.37 -0.15 0.00 0.00 0.00 0.00 53.44 53.90 2b99 n ALA 140 Cb 0.65 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 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 3.86 1.09 1.56 0.00 0.00 -1.26 -4.88 105.19 105.55 2b99 n GLY 141 Ca 0.19 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.53 3.82 -3.45 1.61 5.02 -0.92 -4.95 118.16 116.76 2b99 n LYS 142 Ca -0.16 -2.64 -0.20 0.00 -2.02 0.00 0.00 58.31 53.30 2b99 n LYS 142 Cb 0.53 -1.96 0.08 0.00 -0.02 0.00 0.00 35.03 33.65 2b99 n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b99 n GLY 143 N 0.87 -0.39 3.71 0.72 0.00 -1.26 -4.97 105.19 103.87 2b99 n GLY 143 Ca 0.24 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.57 4.36 0.00 0.99 1.43 -1.26 -4.55 118.68 113.08 2b99 s LEU 144 Ca 0.36 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 2b99 s LEU 144 Cb -0.16 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.49 2b99 s LEU 144 CO 0.68 -0.48 0.00 -2.11 0.23 0.00 0.00 176.35 174.67 2b99 n ARG 145 N 4.13 0.00 0.00 1.70 1.85 -1.26 -4.96 116.66 118.12 2b99 n ARG 145 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.94 2b99 n ARG 145 Cb 0.46 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.87 2b99 n ARG 145 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2b99 n GLN 146 N -1.25 0.00 0.00 2.89 -0.06 -1.26 -5.11 117.38 112.59 2b99 n GLN 146 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2b99 n GLN 146 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2b99 n GLN 146 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27