#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b99 s LYS 4 N 0.00 1.88 -0.07 1.97 2.20 -1.26 -2.13 119.74 122.33 2b99 s LYS 4 Ca 0.00 -0.58 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2b99 s LYS 4 Cb 0.00 -1.58 -0.02 0.00 -1.51 0.00 0.00 37.83 34.72 2b99 s LYS 4 CO 0.00 0.18 -0.15 0.08 -0.36 0.00 0.00 175.35 175.10 2b99 s VAL 5 N 0.23 2.95 -0.11 4.02 1.01 -0.67 -0.59 120.40 127.25 2b99 s VAL 5 Ca -0.08 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2b99 s VAL 5 Cb -0.13 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2b99 s VAL 5 CO 0.03 0.57 0.03 -0.83 0.00 0.00 0.00 175.10 174.91 2b99 s GLY 6 N -0.37 1.91 -0.18 4.51 0.00 -0.11 -2.05 107.32 111.02 2b99 s GLY 6 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2b99 s GLY 6 CO 0.02 -0.43 -0.12 -0.42 0.00 0.00 0.00 173.10 172.15 2b99 s ILE 7 N -0.70 1.67 -0.17 0.90 1.01 0.47 -0.22 121.20 124.16 2b99 s ILE 7 Ca 0.12 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 2b99 s ILE 7 Cb -0.12 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.68 2b99 s ILE 7 CO 0.02 0.28 -0.14 -0.69 0.00 0.00 0.00 174.94 174.41 2b99 s VAL 8 N 1.41 2.70 0.09 2.92 1.01 -0.19 -1.82 120.40 126.52 2b99 s VAL 8 Ca 0.01 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2b99 s VAL 8 Cb -0.15 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 2b99 s VAL 8 CO -0.09 0.50 0.02 -0.90 0.00 0.00 0.00 175.10 174.63 2b99 n ASP 9 N 4.30 1.40 -4.25 3.32 3.85 -0.81 -0.54 116.55 123.83 2b99 n ASP 9 Ca -0.19 -1.43 -0.14 0.00 -0.71 0.00 0.00 54.79 52.32 2b99 n ASP 9 Cb 0.51 0.16 -0.10 0.00 -1.35 0.00 0.00 41.12 40.34 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 -1.69 0.78 -0.58 2.12 -4.23 -1.25 -1.43 115.64 109.36 2b99 s THR 10 Ca 0.03 -1.99 0.24 0.00 -1.18 0.00 0.00 61.69 58.78 2b99 s THR 10 Cb 0.00 -2.08 0.05 0.00 1.34 0.00 0.00 72.50 71.81 2b99 s THR 10 CO 0.02 -0.52 1.29 0.71 -0.54 0.00 0.00 174.62 175.58 2b99 h THR 11 N 2.70 0.00 -0.09 3.99 1.35 -0.84 -3.33 112.91 116.69 2b99 h THR 11 Ca -0.37 -0.57 -0.23 0.00 -0.55 0.00 0.00 66.41 64.70 2b99 h THR 11 Cb 1.20 1.15 0.01 0.00 -1.73 0.00 0.00 68.15 68.78 2b99 h THR 11 CO 0.63 0.00 -0.86 0.15 -0.25 0.00 0.00 175.52 175.20 2b99 h PHE 12 N 0.00 0.93 -3.03 4.73 3.57 -1.47 -3.45 116.94 118.21 2b99 h PHE 12 Ca 0.00 -0.44 -0.58 0.00 3.53 0.00 0.00 57.97 60.47 2b99 h PHE 12 Cb 0.78 -0.13 0.11 0.00 2.79 0.00 0.00 35.95 39.51 2b99 h PHE 12 CO 0.00 1.26 0.35 0.00 -2.23 0.00 0.00 178.31 177.70 2b99 n ALA 13 N -2.59 0.70 0.63 2.41 0.00 -1.25 -4.89 120.51 115.52 2b99 n ALA 13 Ca -0.08 0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.83 2b99 n ALA 13 Cb 0.78 -2.16 0.27 0.00 0.00 0.00 0.00 19.45 18.35 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 0.55 2.19 -3.92 0.00 1.74 -1.26 -4.85 116.66 111.11 2b99 n ARG 14 Ca 0.07 -1.81 -0.14 0.00 -0.77 0.00 0.00 57.85 55.20 2b99 n ARG 14 Cb 0.35 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.56 0.09 -0.68 1.55 1.01 -1.26 -5.02 120.40 114.53 2b99 s VAL 15 Ca 0.36 -0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 2b99 s VAL 15 Cb 0.20 -0.11 0.05 0.00 0.00 0.00 0.00 36.38 36.52 2b99 s VAL 15 CO 0.28 0.05 1.11 -0.62 0.00 0.00 0.00 175.10 175.93 2b99 s ASP 16 N 0.23 6.19 0.12 3.32 3.68 -1.26 -4.85 116.67 124.10 2b99 s ASP 16 Ca -0.02 -0.66 0.22 0.00 2.13 0.00 0.00 52.55 54.22 2b99 s ASP 16 Cb -0.04 -2.49 -0.12 0.00 -1.45 0.00 0.00 42.92 38.83 2b99 s ASP 16 CO -0.01 -1.61 0.84 0.23 0.13 0.00 0.00 175.17 174.75 2b99 n MET 17 N 8.47 0.62 -0.11 4.34 2.81 -1.26 -4.44 117.12 127.55 2b99 n MET 17 Ca 0.00 0.03 -0.10 0.00 -1.81 0.00 0.00 57.70 55.82 2b99 n MET 17 Cb 0.47 -1.73 -0.02 0.00 -0.71 0.00 0.00 33.22 31.24 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 1.95 0.44 -0.60 3.04 0.00 -1.98 -2.98 119.26 119.13 2b99 h ALA 18 Ca -0.02 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2b99 h ALA 18 Cb 1.06 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2b99 h ALA 18 CO 0.00 0.05 0.27 0.77 0.00 0.00 0.00 179.25 180.34 2b99 h SER 19 N 0.40 0.34 -0.45 0.00 0.02 -2.00 -0.51 113.55 111.35 2b99 h SER 19 Ca 0.11 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 2b99 h SER 19 Cb 0.20 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2b99 h SER 19 CO -0.01 0.22 0.02 0.40 -1.14 0.00 0.00 176.83 176.32 2b99 h ILE 20 N 0.50 1.25 0.08 3.27 1.08 -1.80 -1.83 117.51 120.06 2b99 h ILE 20 Ca 0.28 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 2b99 h ILE 20 Cb 0.27 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 2b99 h ILE 20 CO -0.24 0.36 -0.04 0.00 -0.69 0.00 0.00 178.15 177.54 2b99 h ALA 21 N 1.23 -0.11 -0.43 1.87 0.00 -1.22 -2.35 119.26 118.23 2b99 h ALA 21 Ca 0.16 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2b99 h ALA 21 Cb 0.45 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2b99 h ALA 21 CO 0.02 -0.37 0.12 0.82 0.00 0.00 0.00 179.25 179.84 2b99 h ILE 22 N -0.51 0.82 -0.75 0.00 2.04 -1.07 -0.72 117.51 117.32 2b99 h ILE 22 Ca -0.01 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 2b99 h ILE 22 Cb 0.43 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 2b99 h ILE 22 CO 0.02 0.05 0.47 0.50 0.00 0.00 0.00 178.15 179.18 2b99 h LYS 23 N 0.27 1.00 -0.44 2.37 3.64 -1.35 -1.21 116.57 120.85 2b99 h LYS 23 Ca 0.20 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 2b99 h LYS 23 Cb 0.23 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2b99 h LYS 23 CO -0.24 0.69 -0.27 -0.22 -2.27 0.00 0.00 179.45 177.14 2b99 h LYS 24 N 1.03 0.94 -0.14 1.90 1.63 -0.70 -2.01 116.57 119.22 2b99 h LYS 24 Ca 0.27 -0.42 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 2b99 h LYS 24 Cb -0.07 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 2b99 h LYS 24 CO -0.05 1.08 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.92 2b99 h LEU 25 N 0.79 0.27 -2.08 5.20 3.38 -0.61 -1.90 115.31 120.37 2b99 h LEU 25 Ca 0.09 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2b99 h LEU 25 Cb 0.84 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2b99 h LEU 25 CO 0.07 0.60 -0.07 0.11 0.09 0.00 0.00 178.44 179.24 2b99 h LYS 26 N -0.05 0.00 0.03 1.13 1.57 -1.25 0.17 116.57 118.17 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 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2b99 h LYS 26 CO 0.02 0.07 -0.01 1.49 -0.57 0.00 0.00 179.45 180.44 2b99 h GLU 27 N 0.00 -0.04 -0.12 3.15 4.81 -1.09 -1.13 114.58 120.17 2b99 h GLU 27 Ca -0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2b99 h GLU 27 Cb 0.15 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2b99 h GLU 27 CO 0.01 0.44 -0.36 -0.07 -0.73 0.00 0.00 179.01 178.30 2b99 h LEU 28 N -0.54 0.25 -6.49 1.64 3.38 -0.71 -3.38 115.31 109.46 2b99 h LEU 28 Ca -0.00 -0.09 -0.46 0.00 0.09 0.00 0.00 57.88 57.41 2b99 h LEU 28 Cb 0.50 -0.07 -0.35 0.00 0.09 0.00 0.00 40.66 40.83 2b99 h LEU 28 CO 0.01 0.60 -0.75 -0.55 0.09 0.00 0.00 178.44 177.83 2b99 s SER 29 N -6.87 2.10 0.38 -0.43 0.15 0.53 -5.03 113.70 104.52 2b99 s SER 29 Ca -0.05 -1.71 0.16 0.00 0.70 0.00 0.00 55.95 55.05 2b99 s SER 29 Cb 0.14 0.11 1.03 0.00 -1.71 0.00 0.00 66.02 65.60 2b99 s SER 29 CO 0.77 -0.31 1.78 -0.65 1.20 0.00 0.00 173.24 176.03 2b99 h PRO 30 N 7.27 0.45 0.00 5.44 0.11 -1.40 -2.58 132.00 141.29 2b99 h PRO 30 Ca 0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2b99 h PRO 30 Cb 1.02 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2b99 h PRO 30 CO 0.26 0.30 -0.55 0.09 -0.21 0.00 0.00 178.00 177.88 2b99 n ASN 31 N -4.65 0.72 -4.57 -2.05 3.02 -1.26 -4.91 115.26 101.56 2b99 n ASN 31 Ca 0.24 0.18 -0.47 0.00 -0.03 0.00 0.00 54.58 54.51 2b99 n ASN 31 Cb 0.80 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 2b99 n ASN 31 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2b99 n ILE 32 N -2.14 1.49 -3.18 2.41 -5.35 -0.97 -4.92 119.36 106.69 2b99 n ILE 32 Ca 0.04 -0.37 -0.39 0.00 -0.27 0.00 0.00 62.75 61.75 2b99 n ILE 32 Cb 0.44 -0.83 -0.06 0.00 -1.74 0.00 0.00 39.64 37.45 2b99 n ILE 32 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2b99 s LYS 33 N -0.96 4.32 -0.02 6.28 1.02 -0.91 -4.94 119.74 124.53 2b99 s LYS 33 Ca 0.66 0.83 0.03 0.00 0.02 0.00 0.00 55.97 57.51 2b99 s LYS 33 Cb -0.79 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 33.23 2b99 s LYS 33 CO 0.56 0.51 -0.11 0.42 -0.92 0.00 0.00 175.35 175.81 2b99 s ILE 34 N -0.73 0.93 -0.01 2.17 1.01 -1.26 -1.66 121.20 121.64 2b99 s ILE 34 Ca 0.31 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.55 2b99 s ILE 34 Cb -0.20 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 2b99 s ILE 34 CO 0.20 0.27 -0.19 -0.51 0.00 0.00 0.00 174.94 174.72 2b99 s ILE 35 N -0.05 1.46 0.22 2.92 2.07 -0.87 -4.99 121.20 121.96 2b99 s ILE 35 Ca 0.00 -0.79 0.11 0.00 -1.41 0.00 0.00 60.65 58.56 2b99 s ILE 35 Cb -0.07 -1.21 -0.05 0.00 0.13 0.00 0.00 42.46 41.26 2b99 s ILE 35 CO 0.00 0.41 -0.19 -0.13 -1.91 0.00 0.00 174.94 173.13 2b99 s ARG 36 N -0.43 1.72 -0.22 3.50 0.52 -1.26 -0.39 118.95 122.38 2b99 s ARG 36 Ca 0.07 -1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 53.63 2b99 s ARG 36 Cb -0.07 -1.91 0.07 0.00 0.52 0.00 0.00 34.95 33.56 2b99 s ARG 36 CO -0.01 0.39 0.54 0.21 0.02 0.00 0.00 175.30 176.45 2b99 s LYS 37 N -2.98 0.54 -0.10 3.54 2.20 -0.75 -4.95 119.74 117.24 2b99 s LYS 37 Ca 0.25 1.01 0.01 0.00 -0.36 0.00 0.00 55.97 56.87 2b99 s LYS 37 Cb -0.07 0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.30 2b99 s LYS 37 CO 0.13 -0.16 -0.14 0.99 -0.36 0.00 0.00 175.35 175.81 2b99 s THR 38 N 1.56 3.03 0.41 3.43 2.01 -1.26 -1.93 115.64 122.90 2b99 s THR 38 Ca -0.10 -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 -0.07 0.00 0.01 0.00 0.00 72.50 70.13 2b99 s THR 38 CO -0.16 0.55 0.01 0.68 -0.69 0.00 0.00 174.62 175.01 2b99 s VAL 39 N -0.01 1.88 0.10 3.82 -7.23 -0.51 -4.98 120.40 113.47 2b99 s VAL 39 Ca -0.04 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 2b99 s VAL 39 Cb -0.14 -2.91 -0.13 0.00 0.56 0.00 0.00 36.38 33.76 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 1.75 -0.69 0.00 4.82 0.11 -1.94 -1.96 132.00 134.09 2b99 h PRO 40 Ca -0.44 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2b99 h PRO 40 Cb 1.25 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2b99 h PRO 40 CO 0.80 -0.46 0.00 0.41 -0.21 0.00 0.00 178.00 178.54 2b99 n GLY 41 N -1.46 2.59 0.37 -0.55 0.00 -1.26 -1.37 105.19 103.51 2b99 n GLY 41 Ca -0.09 -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 0.00 -0.51 0.82 -0.61 2.08 -1.26 -0.57 119.36 119.31 2b99 n ILE 42 Ca 0.00 2.23 0.09 0.00 0.56 0.00 0.00 62.75 65.63 2b99 n ILE 42 Cb 0.00 -2.94 0.44 0.00 -0.75 0.00 0.00 39.64 36.39 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 0.23 0.00 0.38 5.02 -1.26 -2.41 118.16 114.72 2b99 n LYS 43 Ca 0.10 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.62 2b99 n LYS 43 Cb 0.38 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.30 1.65 -0.06 4.39 10.43 0.26 -4.51 116.55 127.41 2b99 n ASP 44 Ca 0.08 -1.28 -0.12 0.00 2.57 0.00 0.00 54.79 56.03 2b99 n ASP 44 Cb 0.15 0.45 -0.06 0.00 1.84 0.00 0.00 41.12 43.50 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 1.83 0.39 -0.38 0.64 3.38 -1.45 -3.28 115.31 116.45 2b99 h LEU 45 Ca 0.00 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.60 2b99 h LEU 45 Cb 0.67 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 2b99 h LEU 45 CO 0.00 0.73 -0.53 -0.65 0.09 0.00 0.00 178.44 178.08 2b99 h PRO 46 N 0.06 -0.39 0.00 1.13 0.11 -1.79 0.30 132.00 131.43 2b99 h PRO 46 Ca 0.04 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 2b99 h PRO 46 Cb 0.58 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 2b99 h PRO 46 CO 0.03 -0.26 -0.29 0.28 -0.21 0.00 0.00 178.00 177.55 2b99 h VAL 47 N -0.40 1.12 -0.32 3.15 2.07 -1.89 -0.16 116.25 119.82 2b99 h VAL 47 Ca 0.09 -1.03 -0.17 0.00 0.82 0.00 0.00 66.70 66.41 2b99 h VAL 47 Cb 0.61 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2b99 h VAL 47 CO -0.57 0.28 -0.47 0.00 0.02 0.00 0.00 177.57 176.83 2b99 h ALA 48 N 1.71 0.49 -0.53 1.67 0.00 -1.41 -0.04 119.26 121.15 2b99 h ALA 48 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2b99 h ALA 48 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2b99 h ALA 48 CO 0.04 0.65 0.04 0.00 0.00 0.00 0.00 179.25 179.97 2b99 h LYS 50 N 0.79 0.72 -0.76 0.00 3.64 -0.88 -1.67 116.57 118.40 2b99 h LYS 50 Ca 0.15 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2b99 h LYS 50 Cb 0.48 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2b99 h LYS 50 CO 0.02 0.71 0.44 0.87 -2.27 0.00 0.00 179.45 179.23 2b99 h LYS 51 N 0.59 1.04 -0.37 1.90 1.57 -0.93 -0.62 116.57 119.75 2b99 h LYS 51 Ca 0.14 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2b99 h LYS 51 Cb 0.32 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2b99 h LYS 51 CO 0.00 0.74 0.02 -0.07 -0.57 0.00 0.00 179.45 179.57 2b99 h LEU 52 N 1.06 0.62 -0.74 2.94 4.07 -1.13 0.90 115.31 123.03 2b99 h LEU 52 Ca 0.27 -0.29 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 2b99 h LEU 52 Cb -0.01 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 2b99 h LEU 52 CO -0.05 0.76 0.02 -0.07 -1.08 0.00 0.00 178.44 178.03 2b99 h LEU 53 N 0.46 0.95 0.00 1.67 3.38 -0.86 -2.30 115.31 118.62 2b99 h LEU 53 Ca 0.11 -0.25 -0.26 0.00 0.09 0.00 0.00 57.88 57.57 2b99 h LEU 53 Cb 0.43 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2b99 h LEU 53 CO 0.02 1.00 -2.04 -0.62 0.09 0.00 0.00 178.44 176.88 2b99 n GLU 54 N -4.20 0.66 -0.00 1.13 1.02 -0.28 -3.97 120.64 115.00 2b99 n GLU 54 Ca 0.03 0.05 0.05 0.00 -0.02 0.00 0.00 57.16 57.28 2b99 n GLU 54 Cb 0.32 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.74 1.95 -0.01 3.49 1.02 0.31 -4.60 120.64 120.05 2b99 n GLU 55 Ca -0.22 -0.05 0.01 0.00 -0.02 0.00 0.00 57.16 56.88 2b99 n GLU 55 Cb 0.99 -1.13 0.01 0.00 -0.02 0.00 0.00 31.44 31.29 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 -1.56 2.38 -1.40 3.49 -0.58 -0.90 -4.99 120.64 117.08 2b99 n GLU 56 Ca 0.00 -1.39 -0.11 0.00 -0.42 0.00 0.00 57.16 55.23 2b99 n GLU 56 Cb 0.23 -1.02 -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 -0.33 1.17 3.75 0.62 0.00 -1.17 -4.98 105.19 104.25 2b99 n GLY 57 Ca 0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 4.67 0.00 -5.03 0.00 5.19 -1.18 -3.42 116.42 116.65 2b99 h ASP 59 Ca -0.46 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.91 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 0.72 0.82 0.05 -0.51 -3.12 0.00 0.00 179.24 177.20 2b99 s ILE 60 N -2.79 0.04 0.03 0.35 2.07 -1.19 -4.51 121.20 115.20 2b99 s ILE 60 Ca 0.01 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 2b99 s ILE 60 Cb 0.09 -1.05 -0.02 0.00 0.13 0.00 0.00 42.46 41.61 2b99 s ILE 60 CO 0.80 -0.16 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.90 2b99 s VAL 61 N -3.29 0.55 -0.15 4.00 1.01 -1.03 -0.93 120.40 120.55 2b99 s VAL 61 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 2b99 s VAL 61 Cb 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2b99 s VAL 61 CO -0.09 -0.19 -0.06 -0.04 0.00 0.00 0.00 175.10 174.72 2b99 s MET 62 N -1.09 3.59 -0.26 2.72 -1.94 0.70 -0.46 119.30 122.56 2b99 s MET 62 Ca -0.05 -0.57 -0.05 0.00 -1.71 0.00 0.00 55.69 53.31 2b99 s MET 62 Cb -0.07 -2.84 -0.00 0.00 2.01 0.00 0.00 34.83 33.92 2b99 s MET 62 CO 0.00 0.22 0.02 0.00 -0.01 0.00 0.00 175.02 175.25 2b99 s ALA 63 N 0.40 2.96 -0.22 3.03 0.00 -0.39 -1.02 121.76 126.51 2b99 s ALA 63 Ca -0.06 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 50.56 2b99 s ALA 63 Cb -0.15 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 2b99 s ALA 63 CO 0.04 -0.66 -0.01 -0.51 0.00 0.00 0.00 175.76 174.61 2b99 s LEU 64 N 1.49 3.10 0.09 0.00 1.43 0.30 0.33 118.68 125.42 2b99 s LEU 64 Ca 0.04 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2b99 s LEU 64 Cb -0.16 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.28 2b99 s LEU 64 CO -0.00 -0.00 0.27 -0.83 0.23 0.00 0.00 176.35 176.02 2b99 s GLY 65 N 1.38 -0.05 -0.30 -3.19 0.00 -0.46 -3.84 107.32 100.86 2b99 s GLY 65 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 44.72 44.41 2b99 s GLY 65 CO -0.00 -0.54 0.11 -0.29 0.00 0.00 0.00 173.10 172.37 2b99 s MET 66 N -3.55 0.50 0.63 2.90 0.00 -1.26 -1.75 119.30 116.77 2b99 s MET 66 Ca 0.02 -0.84 -0.19 0.00 0.00 0.00 0.00 55.69 54.69 2b99 s MET 66 Cb 0.03 -1.67 -0.02 0.00 0.00 0.00 0.00 34.83 33.17 2b99 s MET 66 CO -0.10 -0.99 1.27 -2.30 0.00 0.00 0.00 175.02 172.91 2b99 n PRO 67 N 5.01 1.18 -0.73 4.11 -0.02 -1.23 -4.68 135.00 138.64 2b99 n PRO 67 Ca -0.04 0.46 -0.13 0.00 -2.02 0.00 0.00 63.50 61.77 2b99 n PRO 67 Cb 0.42 -2.50 0.10 0.00 -0.02 0.00 0.00 33.50 31.50 2b99 n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b99 n GLY 68 N 0.94 -1.71 0.14 -1.23 0.00 -1.26 -3.71 105.19 98.36 2b99 n GLY 68 Ca 0.15 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 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 0.45 -6.32 1.61 1.79 -1.97 -3.42 116.57 108.71 2b99 h LYS 69 Ca -0.19 -0.78 -0.54 0.00 -2.18 0.00 0.00 60.65 56.96 2b99 h LYS 69 Cb 0.54 0.29 0.23 0.00 -1.58 0.00 0.00 32.23 31.71 2b99 h LYS 69 CO 0.13 1.37 -1.32 0.00 -1.08 0.00 0.00 179.45 178.55 2b99 n ALA 70 N -2.80 -4.26 0.26 3.86 0.00 -1.26 -4.86 120.51 111.46 2b99 n ALA 70 Ca -0.21 -0.64 0.16 0.00 0.00 0.00 0.00 53.44 52.75 2b99 n ALA 70 Cb 1.07 -1.42 0.57 0.00 0.00 0.00 0.00 19.45 19.68 2b99 n ALA 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2b99 h GLU 71 N -1.19 0.00 0.00 0.00 5.08 -2.02 -3.03 114.58 113.43 2b99 h GLU 71 Ca -0.44 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.75 2b99 h GLU 71 Cb 1.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 2b99 h GLU 71 CO 0.28 0.02 -0.99 0.87 -1.00 0.00 0.00 179.01 178.19 2b99 h LYS 72 N 0.00 0.00 0.00 2.33 6.56 -1.97 -3.13 116.57 120.36 2b99 h LYS 72 Ca -0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.56 2b99 h LYS 72 Cb 0.62 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.28 2b99 h LYS 72 CO 0.00 0.58 -0.16 -0.44 -2.06 0.00 0.00 179.45 177.37 2b99 h ASP 73 N 0.00 0.00 -0.09 0.86 3.45 -1.84 0.11 116.42 118.91 2b99 h ASP 73 Ca -0.08 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.31 2b99 h ASP 73 Cb 1.61 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.36 2b99 h ASP 73 CO 0.08 0.16 -0.16 0.11 -1.57 0.00 0.00 179.24 177.86 2b99 h LYS 74 N 0.00 0.45 -0.11 3.56 1.57 -1.61 0.13 116.57 120.57 2b99 h LYS 74 Ca -0.00 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2b99 h LYS 74 Cb 0.32 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2b99 h LYS 74 CO 0.02 0.60 -0.23 0.28 -0.57 0.00 0.00 179.45 179.55 2b99 h VAL 75 N 0.42 1.39 -0.68 0.50 2.07 -0.92 -1.70 116.25 117.32 2b99 h VAL 75 Ca 0.07 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 66.11 2b99 h VAL 75 Cb 0.52 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 2b99 h VAL 75 CO 0.03 0.44 0.42 0.00 0.02 0.00 0.00 177.57 178.48 2b99 h ALA 77 N 1.29 0.00 -0.91 0.00 0.00 -0.69 0.15 119.26 119.09 2b99 h ALA 77 Ca 0.27 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.29 2b99 h ALA 77 Cb 0.02 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 2b99 h ALA 77 CO -0.11 -0.53 0.56 1.25 0.00 0.00 0.00 179.25 180.43 2b99 h HIS 78 N -0.07 1.04 -0.35 0.00 6.17 -0.73 0.31 115.15 121.52 2b99 h HIS 78 Ca 0.05 0.03 -0.15 0.00 0.71 0.00 0.00 60.37 61.00 2b99 h HIS 78 Cb 0.13 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.72 2b99 h HIS 78 CO -0.16 0.48 -0.39 0.93 0.71 0.00 0.00 177.93 179.51 2b99 h GLU 79 N 0.98 0.83 -0.42 5.26 5.08 -0.42 -1.82 114.58 124.07 2b99 h GLU 79 Ca 0.42 -0.43 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2b99 h GLU 79 Cb 0.28 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2b99 h GLU 79 CO -0.21 1.07 0.09 0.00 -1.00 0.00 0.00 179.01 178.95 2b99 h ALA 80 N 0.88 0.56 -0.50 3.43 0.00 0.49 -2.00 119.26 122.12 2b99 h ALA 80 Ca 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2b99 h ALA 80 Cb 0.95 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2b99 h ALA 80 CO 0.09 0.25 0.16 0.77 0.00 0.00 0.00 179.25 180.53 2b99 h SER 81 N 0.55 0.66 -0.68 0.00 0.02 -0.31 -1.26 113.55 112.53 2b99 h SER 81 Ca 0.13 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2b99 h SER 81 Cb 0.34 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2b99 h SER 81 CO 0.00 0.63 0.18 -0.07 -1.14 0.00 0.00 176.83 176.43 2b99 h LEU 82 N 0.71 1.03 -0.72 5.07 3.38 -1.03 -0.88 115.31 122.88 2b99 h LEU 82 Ca 0.17 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2b99 h LEU 82 Cb 0.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2b99 h LEU 82 CO -0.01 0.98 0.31 1.23 0.09 0.00 0.00 178.44 181.05 2b99 h GLY 83 N 1.08 1.14 1.08 0.83 0.00 -0.58 -1.49 103.07 105.13 2b99 h GLY 83 Ca 0.22 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 2b99 h GLY 83 CO -0.00 0.57 0.28 1.41 0.00 0.00 0.00 176.54 178.79 2b99 h LEU 84 N 1.03 1.07 -0.34 3.11 3.38 -0.78 -0.50 115.31 122.28 2b99 h LEU 84 Ca 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2b99 h LEU 84 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2b99 h LEU 84 CO -0.02 0.97 0.18 -0.03 0.09 0.00 0.00 178.44 179.63 2b99 h MET 85 N 1.12 0.47 -0.53 1.13 4.05 -0.79 -2.66 114.93 117.73 2b99 h MET 85 Ca 0.25 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.52 2b99 h MET 85 Cb 0.25 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2b99 h MET 85 CO -0.02 0.40 -0.05 -0.07 0.23 0.00 0.00 176.91 177.40 2b99 h LEU 86 N 0.42 0.94 -0.98 3.39 3.38 -0.98 -2.43 115.31 119.06 2b99 h LEU 86 Ca 0.12 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2b99 h LEU 86 Cb 0.06 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2b99 h LEU 86 CO -0.02 1.02 0.65 0.00 0.09 0.00 0.00 178.44 180.18 2b99 h ALA 87 N 1.07 1.26 -0.15 1.53 0.00 -0.94 -0.95 119.26 121.08 2b99 h ALA 87 Ca 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2b99 h ALA 87 Cb 0.58 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2b99 h ALA 87 CO 0.04 0.59 0.01 1.96 0.00 0.00 0.00 179.25 181.85 2b99 h GLN 88 N 1.29 0.26 0.00 0.00 4.20 -1.28 -2.41 115.11 117.17 2b99 h GLN 88 Ca 0.37 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.97 2b99 h GLN 88 Cb -0.09 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2b99 h GLN 88 CO -0.10 0.46 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.28 2b99 h LEU 89 N 0.02 0.00 0.00 1.46 3.38 -1.10 0.51 115.31 119.58 2b99 h LEU 89 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2b99 h LEU 89 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2b99 h LEU 89 CO 0.01 0.17 -0.05 0.24 0.09 0.00 0.00 178.44 178.90 2b99 h MET 90 N 0.00 0.00 0.00 1.13 2.86 -0.99 -3.33 114.93 114.59 2b99 h MET 90 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2b99 h MET 90 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2b99 h MET 90 CO 0.02 0.00 -0.07 0.25 1.06 0.00 0.00 176.91 178.17 2b99 n THR 91 N -2.32 0.00 -2.87 2.22 -2.24 -0.89 -5.01 114.28 103.17 2b99 n THR 91 Ca 0.05 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 61.15 2b99 n THR 91 Cb 0.44 0.96 0.03 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.03 -6.13 -4.07 3.42 5.03 0.17 -4.98 115.26 107.68 2b99 n ASN 92 Ca 0.00 -0.23 -0.18 0.00 0.87 0.00 0.00 54.58 55.05 2b99 n ASN 92 Cb 0.00 -4.98 -0.14 0.00 -1.02 0.00 0.00 39.78 33.64 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 -5.55 0.73 0.34 3.52 1.02 -1.18 -5.07 119.74 113.56 2b99 s LYS 93 Ca 0.23 -0.54 -0.27 0.00 0.02 0.00 0.00 55.97 55.41 2b99 s LYS 93 Cb -0.10 -0.68 -0.09 0.00 -0.52 0.00 0.00 37.83 36.43 2b99 s LYS 93 CO 0.29 0.17 1.06 -1.01 -0.92 0.00 0.00 175.35 174.94 2b99 s HIS 94 N -0.65 3.44 -0.24 3.18 3.76 -1.26 -4.41 115.29 119.11 2b99 s HIS 94 Ca 0.00 1.68 0.00 0.00 -0.15 0.00 0.00 55.06 56.60 2b99 s HIS 94 Cb -0.06 -3.18 0.06 0.00 1.11 0.00 0.00 32.58 30.51 2b99 s HIS 94 CO 0.00 -0.53 -0.03 0.42 -0.85 0.00 0.00 174.74 173.75 2b99 s ILE 95 N -1.43 1.40 -0.48 0.60 1.01 -1.26 -2.47 121.20 118.57 2b99 s ILE 95 Ca 0.51 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 2b99 s ILE 95 Cb -0.26 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.51 2b99 s ILE 95 CO 0.33 -0.16 1.17 -0.63 0.00 0.00 0.00 174.94 175.65 2b99 s ILE 96 N 1.45 4.17 -0.22 2.92 -1.09 0.40 -4.90 121.20 123.92 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 -0.19 -4.57 0.00 0.00 -1.58 0.00 0.00 42.46 36.12 2b99 s ILE 96 CO -0.07 -1.00 0.94 -0.70 -1.23 0.00 0.00 174.94 172.88 2b99 s GLU 97 N 4.52 4.25 -0.65 2.79 2.12 -1.26 -1.26 118.70 129.20 2b99 s GLU 97 Ca 0.49 1.17 0.04 0.00 0.36 0.00 0.00 54.97 57.04 2b99 s GLU 97 Cb -0.08 -3.63 0.16 0.00 0.26 0.00 0.00 34.13 30.84 2b99 s GLU 97 CO 0.32 -0.54 0.43 0.08 -0.54 0.00 0.00 175.26 175.01 2b99 s VAL 98 N 2.89 2.93 -0.06 3.70 1.01 0.15 -4.95 120.40 126.06 2b99 s VAL 98 Ca 0.40 -3.89 -0.02 0.00 0.00 0.00 0.00 61.98 58.48 2b99 s VAL 98 Cb -0.15 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 2b99 s VAL 98 CO 0.08 -0.94 0.03 -0.36 0.00 0.00 0.00 175.10 173.91 2b99 s PHE 99 N -1.01 3.21 -0.18 5.22 2.99 -1.26 -1.36 117.98 125.59 2b99 s PHE 99 Ca 0.22 0.21 -0.03 0.00 0.00 0.00 0.00 56.93 57.33 2b99 s PHE 99 Cb -0.12 -1.78 0.06 0.00 0.00 0.00 0.00 43.02 41.18 2b99 s PHE 99 CO -0.10 0.51 0.03 0.08 -0.00 0.00 0.00 175.22 175.74 2b99 s VAL 100 N -0.97 0.49 0.24 -0.44 1.01 -0.72 -4.98 120.40 115.03 2b99 s VAL 100 Ca 0.16 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 2b99 s VAL 100 Cb -0.12 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 2b99 s VAL 100 CO 0.05 -0.18 0.92 -1.00 0.00 0.00 0.00 175.10 174.89 2b99 s HIS 101 N 1.88 3.93 0.46 5.22 3.76 -1.26 -3.55 115.29 125.72 2b99 s HIS 101 Ca -0.00 1.86 0.21 0.00 -0.15 0.00 0.00 55.06 56.97 2b99 s HIS 101 Cb -0.17 -2.94 1.26 0.00 1.11 0.00 0.00 32.58 31.84 2b99 s HIS 101 CO -0.08 0.43 2.06 0.93 -0.85 0.00 0.00 174.74 177.23 2b99 h GLU 102 N 4.01 0.00 0.00 1.40 5.08 -1.81 -2.19 114.58 121.07 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 0.13 0.05 -0.44 -1.00 0.00 0.00 179.01 178.42 2b99 h ASP 103 N 0.00 0.00 1.11 1.42 3.45 -1.90 -2.26 116.42 118.24 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 0.27 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 2b99 h ASP 103 CO 0.02 0.00 -0.76 -0.33 -1.57 0.00 0.00 179.24 176.60 2b99 h GLU 104 N 0.00 0.00 -6.31 3.56 5.08 -1.79 -3.46 114.58 111.66 2b99 h GLU 104 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2b99 h GLU 104 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2b99 h GLU 104 CO 0.00 0.76 -0.31 0.00 -1.00 0.00 0.00 179.01 178.45 2b99 s ALA 105 N -2.94 3.81 -1.52 3.43 0.00 -0.85 -5.00 121.76 118.69 2b99 s ALA 105 Ca 0.02 -0.97 0.23 0.00 0.00 0.00 0.00 51.96 51.23 2b99 s ALA 105 Cb 0.10 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 21.28 2b99 s ALA 105 CO 0.78 0.23 1.09 1.63 0.00 0.00 0.00 175.76 179.49 2b99 n LYS 106 N -1.25 0.60 -3.76 0.00 5.02 -1.26 -4.95 118.16 112.56 2b99 n LYS 106 Ca -0.06 -0.48 -0.03 0.00 -2.02 0.00 0.00 58.31 55.73 2b99 n LYS 106 Cb 0.55 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.73 -0.14 0.39 4.39 -4.77 -1.26 -5.03 116.67 107.52 2b99 s ASP 107 Ca 0.14 -0.41 0.13 0.00 -3.30 0.00 0.00 52.55 49.12 2b99 s ASP 107 Cb 0.17 0.45 0.78 0.00 -1.09 0.00 0.00 42.92 43.23 2b99 s ASP 107 CO 0.69 -0.84 1.86 0.44 0.70 0.00 0.00 175.17 178.02 2b99 h ASP 108 N 2.00 0.00 -0.40 2.11 5.19 -1.98 0.82 116.42 124.16 2b99 h ASP 108 Ca -0.25 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.08 2b99 h ASP 108 Cb 1.23 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 2b99 h ASP 108 CO 0.27 0.34 -0.07 0.50 -3.12 0.00 0.00 179.24 177.16 2b99 h LYS 109 N 0.00 0.75 -0.14 3.56 3.64 -1.99 -0.11 116.57 122.29 2b99 h LYS 109 Ca -0.00 -0.27 -0.18 0.00 -1.27 0.00 0.00 60.65 58.92 2b99 h LYS 109 Cb 0.60 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2b99 h LYS 109 CO 0.04 0.87 -0.67 1.49 -2.27 0.00 0.00 179.45 178.92 2b99 h GLU 110 N 0.57 0.54 -0.38 1.90 4.81 -1.90 -2.39 114.58 117.73 2b99 h GLU 110 Ca 0.10 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 2b99 h GLU 110 Cb 0.58 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2b99 h GLU 110 CO 0.03 1.02 0.18 1.25 -0.73 0.00 0.00 179.01 180.76 2b99 h LEU 111 N 0.39 0.50 -0.65 1.64 5.85 -0.66 0.29 115.31 122.67 2b99 h LEU 111 Ca -0.02 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2b99 h LEU 111 Cb 1.24 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2b99 h LEU 111 CO 0.12 0.49 0.27 -0.78 -0.34 0.00 0.00 178.44 178.21 2b99 h ASP 112 N 0.48 0.88 0.07 1.25 1.82 -1.02 -0.96 116.42 118.94 2b99 h ASP 112 Ca 0.13 -0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 2b99 h ASP 112 Cb 0.13 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 39.91 2b99 h ASP 112 CO -0.02 0.80 -0.04 -0.25 -1.61 0.00 0.00 179.24 178.13 2b99 h TRP 113 N 0.90 -0.09 -0.33 0.28 7.01 -1.09 -2.66 115.95 119.97 2b99 h TRP 113 Ca 0.22 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.25 2b99 h TRP 113 Cb 0.19 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.24 2b99 h TRP 113 CO 0.01 0.16 0.11 1.25 -2.79 0.00 0.00 178.44 177.17 2b99 h LEU 114 N -0.34 0.11 -0.27 0.65 7.12 -0.30 -0.64 115.31 121.65 2b99 h LEU 114 Ca -0.01 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 2b99 h LEU 114 Cb 0.29 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 2b99 h LEU 114 CO 0.02 0.10 0.11 0.00 -0.13 0.00 0.00 178.44 178.53 2b99 h ALA 115 N 1.21 0.34 -0.68 1.25 0.00 -1.21 -0.55 119.26 119.62 2b99 h ALA 115 Ca 0.15 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2b99 h ALA 115 Cb 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2b99 h ALA 115 CO -0.16 -0.06 0.16 0.87 0.00 0.00 0.00 179.25 180.06 2b99 h LYS 116 N 0.28 1.10 -0.66 0.00 1.57 -1.36 -0.22 116.57 117.28 2b99 h LYS 116 Ca 0.09 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 2b99 h LYS 116 Cb 0.17 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2b99 h LYS 116 CO -0.01 0.98 0.11 -0.09 -0.57 0.00 0.00 179.45 179.88 2b99 h ARG 117 N 1.03 1.08 -0.23 3.15 9.65 -0.96 -0.47 114.38 127.62 2b99 h ARG 117 Ca 0.21 -0.28 -0.20 0.00 -1.10 0.00 0.00 59.98 58.62 2b99 h ARG 117 Cb 0.38 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2b99 h ARG 117 CO 0.00 0.98 -0.63 -0.09 2.80 0.00 0.00 179.97 183.03 2b99 h ARG 118 N 1.01 0.83 -0.02 0.20 2.43 -0.85 -1.43 114.38 116.55 2b99 h ARG 118 Ca 0.20 -0.59 -0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2b99 h ARG 118 Cb 0.42 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2b99 h ARG 118 CO 0.01 1.21 0.01 0.00 -1.51 0.00 0.00 179.97 179.70 2b99 h ALA 119 N 0.62 0.03 -0.74 2.80 0.00 -0.87 -1.55 119.26 119.54 2b99 h ALA 119 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b99 h ALA 119 Cb 1.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2b99 h ALA 119 CO 0.14 -0.45 0.47 1.49 0.00 0.00 0.00 179.25 180.89 2b99 h GLU 120 N -0.00 0.99 -0.43 0.00 4.81 -1.06 -1.01 114.58 117.89 2b99 h GLU 120 Ca 0.01 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 2b99 h GLU 120 Cb 0.03 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2b99 h GLU 120 CO -0.00 0.68 -0.04 0.93 -0.73 0.00 0.00 179.01 179.85 2b99 h GLU 121 N 1.01 0.72 0.00 1.92 5.08 -1.05 -1.73 114.58 120.53 2b99 h GLU 121 Ca 0.27 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2b99 h GLU 121 Cb -0.07 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2b99 h GLU 121 CO -0.05 0.76 0.00 0.45 -1.00 0.00 0.00 179.01 179.16 2b99 h HIS 122 N 0.67 0.00 -0.05 4.33 3.86 -0.98 -2.45 115.15 120.52 2b99 h HIS 122 Ca 0.13 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 2b99 h HIS 122 Cb 0.47 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2b99 h HIS 122 CO 0.02 0.00 -0.41 0.00 0.86 0.00 0.00 177.93 178.40 2b99 h ALA 123 N 2.09 1.22 -0.14 2.45 0.00 -0.27 -0.79 119.26 123.81 2b99 h ALA 123 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 2b99 h ALA 123 Cb 0.79 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2b99 h ALA 123 CO 0.00 0.55 -0.66 0.93 0.00 0.00 0.00 179.25 180.08 2b99 h GLU 124 N 0.10 0.54 -0.58 0.00 5.08 -1.13 -2.45 114.58 116.13 2b99 h GLU 124 Ca 0.01 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.92 2b99 h GLU 124 Cb 0.77 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2b99 h GLU 124 CO 0.06 1.01 0.12 -0.91 -1.00 0.00 0.00 179.01 178.29 2b99 h ASN 125 N 0.39 0.86 -0.34 1.42 2.35 -1.11 0.36 115.58 119.52 2b99 h ASN 125 Ca -0.02 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 2b99 h ASN 125 Cb 1.23 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 2b99 h ASN 125 CO 0.12 0.85 0.18 0.58 -1.65 0.00 0.00 177.43 177.52 2b99 h VAL 126 N 0.88 1.14 0.10 2.81 2.07 -1.03 -0.24 116.25 121.99 2b99 h VAL 126 Ca 0.19 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2b99 h VAL 126 Cb 0.34 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2b99 h VAL 126 CO 0.00 0.15 -0.27 0.22 0.02 0.00 0.00 177.57 177.69 2b99 h TYR 127 N 0.42 -0.74 -0.99 1.57 3.20 -0.91 -0.93 116.97 118.60 2b99 h TYR 127 Ca 0.12 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.05 2b99 h TYR 127 Cb 0.07 0.31 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 2b99 h TYR 127 CO -0.03 -0.38 0.65 1.88 -1.64 0.00 0.00 178.16 178.65 2b99 h TYR 128 N -0.48 1.21 -0.37 -3.82 0.05 -0.74 0.37 116.97 113.19 2b99 h TYR 128 Ca 0.04 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.78 2b99 h TYR 128 Cb 0.51 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 2b99 h TYR 128 CO -0.26 0.69 -0.04 -0.07 -1.05 0.00 0.00 178.16 177.44 2b99 h LEU 129 N 1.24 0.58 0.19 3.88 3.38 -0.61 0.58 115.31 124.55 2b99 h LEU 129 Ca 0.40 -0.13 -0.31 0.00 0.09 0.00 0.00 57.88 57.93 2b99 h LEU 129 Cb 0.02 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 40.65 2b99 h LEU 129 CO -0.13 0.67 -1.32 -0.07 0.09 0.00 0.00 178.44 177.69 2b99 h LEU 130 N 0.57 0.83 0.00 1.67 4.07 -0.24 -3.41 115.31 118.80 2b99 h LEU 130 Ca 0.11 -0.88 -0.00 0.00 0.08 0.00 0.00 57.88 57.19 2b99 h LEU 130 Cb 0.42 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 2b99 h LEU 130 CO 0.02 1.64 -1.01 0.49 -1.08 0.00 0.00 178.44 178.50 2b99 n PHE 131 N -3.79 0.00 -2.89 1.13 3.01 0.03 -4.88 117.46 110.06 2b99 n PHE 131 Ca -0.15 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.08 2b99 n PHE 131 Cb 1.03 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 40.47 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 -2.04 2.47 0.10 -1.08 0.00 -0.11 -4.88 118.16 112.61 2b99 n LYS 132 Ca -0.00 -4.24 0.20 0.00 0.00 0.00 0.00 58.31 54.26 2b99 n LYS 132 Cb 0.50 -2.00 0.71 0.00 0.00 0.00 0.00 35.03 34.25 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 -0.22 1.64 0.13 -1.21 0.18 132.00 135.43 2b99 h PRO 133 Ca 0.13 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.18 2b99 h PRO 133 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2b99 h PRO 133 CO 0.71 0.00 -0.23 0.93 -0.23 0.00 0.00 178.00 179.18 2b99 h GLU 134 N 0.00 0.41 0.03 0.86 5.08 -1.90 -3.12 114.58 115.94 2b99 h GLU 134 Ca 0.20 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2b99 h GLU 134 Cb 1.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2b99 h GLU 134 CO -0.00 0.61 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.64 2b99 h TYR 135 N 0.37 -0.15 -0.99 4.33 3.20 -0.99 -2.47 116.97 120.27 2b99 h TYR 135 Ca 0.06 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.11 2b99 h TYR 135 Cb 0.60 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.84 2b99 h TYR 135 CO 0.02 -0.09 0.61 -0.07 -1.64 0.00 0.00 178.16 176.99 2b99 h LEU 136 N -0.12 0.77 -0.99 2.82 3.38 -1.65 0.72 115.31 120.24 2b99 h LEU 136 Ca 0.01 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 2b99 h LEU 136 Cb 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2b99 h LEU 136 CO -0.04 0.32 0.00 0.74 0.09 0.00 0.00 178.44 179.55 2b99 h THR 137 N 0.77 1.23 0.00 0.22 2.02 -1.47 -1.38 112.91 114.31 2b99 h THR 137 Ca 0.54 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 2b99 h THR 137 Cb 0.83 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2b99 h THR 137 CO -0.32 0.33 -0.14 -0.09 0.37 0.00 0.00 175.52 175.68 2b99 h ARG 138 N 0.68 0.00 -0.71 6.66 2.43 -0.46 -1.29 114.38 121.70 2b99 h ARG 138 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2b99 h ARG 138 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2b99 h ARG 138 CO 0.02 0.14 0.00 -1.33 -1.51 0.00 0.00 179.97 177.28 2b99 n MET 139 N -4.20 2.74 -1.68 0.20 2.81 -0.60 -4.94 117.12 111.44 2b99 n MET 139 Ca -0.02 -2.58 -0.45 0.00 -1.81 0.00 0.00 57.70 52.84 2b99 n MET 139 Cb 0.21 -1.58 -0.03 0.00 -0.71 0.00 0.00 33.22 31.11 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 1.54 1.56 -2.58 3.04 0.00 -0.49 -1.87 120.51 121.71 2b99 n ALA 140 Ca 0.24 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.98 2b99 n ALA 140 Cb 0.62 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 2.82 -0.50 3.68 0.00 0.00 -1.26 -4.89 105.19 105.04 2b99 n GLY 141 Ca 0.14 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2b99 n GLY 141 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b99 s LYS 142 N -5.16 4.38 0.00 1.61 2.47 -0.78 -5.26 119.74 116.99 2b99 s LYS 142 Ca 0.06 1.23 0.00 0.00 -1.56 0.00 0.00 55.97 55.70 2b99 s LYS 142 Cb -0.03 -3.55 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 2b99 s LYS 142 CO 0.07 -0.30 0.00 0.41 0.16 0.00 0.00 175.35 175.69