#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b98 h LYS 3 N 0.00 0.65 -5.01 -0.78 1.79 -1.96 -3.45 116.57 107.81 2b98 h LYS 3 Ca 0.00 -0.18 -0.60 0.00 -2.18 0.00 0.00 60.65 57.69 2b98 h LYS 3 Cb 0.00 -0.07 -0.33 0.00 -1.58 0.00 0.00 32.23 30.25 2b98 h LYS 3 CO 0.00 0.71 -0.85 0.21 -1.08 0.00 0.00 179.45 178.45 2b98 s LYS 4 N -4.87 2.31 -0.05 3.15 2.20 -1.26 -0.84 119.74 120.39 2b98 s LYS 4 Ca -0.08 -0.65 0.05 0.00 -0.36 0.00 0.00 55.97 54.93 2b98 s LYS 4 Cb 0.15 -1.83 -0.01 0.00 -1.51 0.00 0.00 37.83 34.63 2b98 s LYS 4 CO 0.79 0.13 -0.21 0.08 -0.36 0.00 0.00 175.35 175.79 2b98 s VAL 5 N 0.43 1.70 -0.10 4.02 1.01 -0.88 -0.52 120.40 126.06 2b98 s VAL 5 Ca -0.15 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2b98 s VAL 5 Cb -0.16 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2b98 s VAL 5 CO 0.06 0.48 0.07 -0.83 0.00 0.00 0.00 175.10 174.88 2b98 s GLY 6 N -0.05 2.00 -0.15 4.51 0.00 -0.13 -1.77 107.32 111.73 2b98 s GLY 6 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2b98 s GLY 6 CO 0.03 -0.48 -0.12 -0.42 0.00 0.00 0.00 173.10 172.10 2b98 s ILE 7 N -0.96 1.49 -0.18 0.90 1.09 0.65 -0.57 121.20 123.62 2b98 s ILE 7 Ca 0.14 -0.63 -0.01 0.00 -1.10 0.00 0.00 60.65 59.05 2b98 s ILE 7 Cb -0.12 -1.44 0.00 0.00 -1.06 0.00 0.00 42.46 39.84 2b98 s ILE 7 CO 0.03 0.40 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.45 2b98 s VAL 8 N 1.51 2.73 0.14 2.92 1.01 -0.33 -1.80 120.40 126.57 2b98 s VAL 8 Ca 0.04 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2b98 s VAL 8 Cb -0.13 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2b98 s VAL 8 CO -0.10 0.50 0.06 -0.90 0.00 0.00 0.00 175.10 174.66 2b98 n ASP 9 N 4.35 0.81 -4.31 3.32 3.85 -0.90 0.16 116.55 123.82 2b98 n ASP 9 Ca -0.19 -1.75 -0.16 0.00 -0.71 0.00 0.00 54.79 51.97 2b98 n ASP 9 Cb 0.51 0.39 -0.10 0.00 -1.35 0.00 0.00 41.12 40.57 2b98 n ASP 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 2b98 s THR 10 N -2.14 0.92 -0.14 2.12 -4.23 -1.25 -0.81 115.64 110.11 2b98 s THR 10 Ca 0.08 -2.02 0.16 0.00 -1.18 0.00 0.00 61.69 58.74 2b98 s THR 10 Cb 0.00 -2.34 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 2b98 s THR 10 CO 0.06 -0.31 1.05 0.71 -0.54 0.00 0.00 174.62 175.58 2b98 h THR 11 N 2.50 0.61 -0.41 3.99 1.35 -1.24 -3.37 112.91 116.34 2b98 h THR 11 Ca -0.38 -2.03 0.02 0.00 -0.55 0.00 0.00 66.41 63.46 2b98 h THR 11 Cb 1.22 2.14 -0.03 0.00 -1.73 0.00 0.00 68.15 69.76 2b98 h THR 11 CO 0.64 0.35 0.24 0.15 -0.25 0.00 0.00 175.52 176.65 2b98 h PHE 12 N 0.00 0.46 -3.21 4.73 3.57 -1.58 -3.44 116.94 117.46 2b98 h PHE 12 Ca -0.10 0.01 -0.58 0.00 3.53 0.00 0.00 57.97 60.84 2b98 h PHE 12 Cb 1.49 -0.15 0.17 0.00 2.79 0.00 0.00 35.95 40.25 2b98 h PHE 12 CO 0.00 0.27 -0.15 0.00 -2.23 0.00 0.00 178.31 176.20 2b98 n ALA 13 N -2.24 -0.54 0.81 2.41 0.00 -1.26 -4.92 120.51 114.77 2b98 n ALA 13 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.55 2b98 n ALA 13 Cb 0.06 -1.96 0.03 0.00 0.00 0.00 0.00 19.45 17.58 2b98 n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b98 n ARG 14 N -0.45 1.59 -4.51 0.00 1.74 -1.26 -4.87 116.66 108.90 2b98 n ARG 14 Ca 0.12 -1.15 -0.22 0.00 -0.77 0.00 0.00 57.85 55.83 2b98 n ARG 14 Cb 0.47 -1.35 -0.16 0.00 -1.02 0.00 0.00 32.46 30.40 2b98 n ARG 14 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2b98 s VAL 15 N -1.91 0.97 -0.42 1.55 1.01 -1.26 -5.02 120.40 115.33 2b98 s VAL 15 Ca 0.18 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 2b98 s VAL 15 Cb 0.15 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 2b98 s VAL 15 CO 0.38 0.30 1.60 -0.62 0.00 0.00 0.00 175.10 176.76 2b98 s ASP 16 N 0.34 6.05 0.02 3.32 3.68 -1.26 -4.84 116.67 123.98 2b98 s ASP 16 Ca -0.07 0.90 0.19 0.00 2.13 0.00 0.00 52.55 55.71 2b98 s ASP 16 Cb -0.11 -2.53 -0.19 0.00 -1.45 0.00 0.00 42.92 38.64 2b98 s ASP 16 CO 0.02 -1.65 0.64 0.23 0.13 0.00 0.00 175.17 174.54 2b98 n MET 17 N 8.37 0.64 -0.15 4.34 2.81 -1.26 -4.54 117.12 127.34 2b98 n MET 17 Ca 0.19 0.06 -0.10 0.00 -1.81 0.00 0.00 57.70 56.04 2b98 n MET 17 Cb 0.48 -1.69 0.03 0.00 -0.71 0.00 0.00 33.22 31.33 2b98 n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b98 h ALA 18 N 1.59 0.77 -0.57 3.04 0.00 -1.97 -3.20 119.26 118.92 2b98 h ALA 18 Ca -0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2b98 h ALA 18 Cb 1.45 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2b98 h ALA 18 CO 0.02 0.66 0.32 0.77 0.00 0.00 0.00 179.25 181.03 2b98 h SER 19 N 0.83 0.70 0.12 0.00 0.02 -2.00 -0.60 113.55 112.62 2b98 h SER 19 Ca 0.12 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 2b98 h SER 19 Cb 0.74 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2b98 h SER 19 CO 0.06 0.59 -0.39 0.16 -1.14 0.00 0.00 176.83 176.10 2b98 h ILE 20 N 0.77 1.30 -0.17 3.27 -2.65 -1.85 -0.20 117.51 117.98 2b98 h ILE 20 Ca 0.20 -1.51 -0.12 0.00 1.03 0.00 0.00 64.86 64.46 2b98 h ILE 20 Cb 0.03 1.61 0.00 0.00 -2.05 0.00 0.00 36.82 36.41 2b98 h ILE 20 CO -0.03 0.46 -0.38 0.00 0.03 0.00 0.00 178.15 178.23 2b98 h ALA 21 N 1.28 0.27 -0.27 0.16 0.00 -1.48 -1.66 119.26 117.56 2b98 h ALA 21 Ca 0.03 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.52 2b98 h ALA 21 Cb 0.83 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2b98 h ALA 21 CO 0.07 0.35 0.08 0.82 0.00 0.00 0.00 179.25 180.57 2b98 h ILE 22 N 0.20 0.92 -0.49 0.00 1.08 -0.97 -0.75 117.51 117.50 2b98 h ILE 22 Ca -0.00 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2b98 h ILE 22 Cb 0.98 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 2b98 h ILE 22 CO 0.08 0.04 0.25 0.50 -0.69 0.00 0.00 178.15 178.33 2b98 h LYS 23 N 0.20 0.69 -0.40 2.37 3.64 -1.04 -1.73 116.57 120.31 2b98 h LYS 23 Ca 0.12 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2b98 h LYS 23 Cb 0.09 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2b98 h LYS 23 CO -0.13 0.57 0.20 -0.22 -2.27 0.00 0.00 179.45 177.60 2b98 h LYS 24 N 0.64 0.40 -0.12 1.90 1.63 -1.13 -1.59 116.57 118.31 2b98 h LYS 24 Ca 0.17 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 2b98 h LYS 24 Cb 0.09 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2b98 h LYS 24 CO -0.02 0.27 0.07 -0.07 -3.45 0.00 0.00 179.45 176.24 2b98 h LEU 25 N 0.42 0.15 -1.02 5.20 4.07 -0.79 -1.74 115.31 121.60 2b98 h LEU 25 Ca 0.17 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.97 2b98 h LEU 25 Cb 0.07 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 2b98 h LEU 25 CO -0.11 0.18 -0.15 0.11 -1.08 0.00 0.00 178.44 177.39 2b98 h LYS 26 N 0.10 0.53 -0.40 1.13 1.57 -1.28 -0.72 116.57 117.50 2b98 h LYS 26 Ca 0.04 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2b98 h LYS 26 Cb 0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2b98 h LYS 26 CO -0.01 0.67 0.22 1.49 -0.57 0.00 0.00 179.45 181.25 2b98 h GLU 27 N 0.49 0.55 0.00 3.15 4.81 -1.06 -1.93 114.58 120.59 2b98 h GLU 27 Ca 0.09 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 2b98 h GLU 27 Cb 0.55 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2b98 h GLU 27 CO 0.03 0.44 -0.96 -0.07 -0.73 0.00 0.00 179.01 177.73 2b98 h LEU 28 N 0.52 0.56 -6.54 1.64 3.38 -1.15 -3.41 115.31 110.30 2b98 h LEU 28 Ca 0.14 -0.45 -0.57 0.00 0.09 0.00 0.00 57.88 57.09 2b98 h LEU 28 Cb 0.04 -0.17 -0.38 0.00 0.09 0.00 0.00 40.66 40.24 2b98 h LEU 28 CO -0.02 1.25 -0.85 -0.55 0.09 0.00 0.00 178.44 178.35 2b98 s SER 29 N -7.10 2.68 0.51 -0.43 0.15 -0.29 -5.04 113.70 104.17 2b98 s SER 29 Ca -0.06 -2.24 0.25 0.00 0.70 0.00 0.00 55.95 54.59 2b98 s SER 29 Cb 0.09 -0.33 1.34 0.00 -1.71 0.00 0.00 66.02 65.40 2b98 s SER 29 CO 0.87 -0.29 1.95 -0.65 1.20 0.00 0.00 173.24 176.32 2b98 h PRO 30 N 6.86 0.09 -0.21 5.44 0.11 -1.58 -1.63 132.00 141.08 2b98 h PRO 30 Ca 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2b98 h PRO 30 Cb 0.97 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2b98 h PRO 30 CO 0.27 0.06 0.00 0.09 -0.21 0.00 0.00 178.00 178.21 2b98 n ASN 31 N -4.38 2.51 -4.68 -2.05 4.13 -1.26 -4.93 115.26 104.60 2b98 n ASN 31 Ca 0.13 -1.84 -0.44 0.00 1.68 0.00 0.00 54.58 54.12 2b98 n ASN 31 Cb 0.68 -0.13 -0.02 0.00 -1.54 0.00 0.00 39.78 38.77 2b98 n ASN 31 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2b98 n ILE 32 N 0.90 1.42 -2.95 2.41 3.06 -0.61 -4.97 119.36 118.61 2b98 n ILE 32 Ca 0.17 -0.36 -0.40 0.00 -2.50 0.00 0.00 62.75 59.67 2b98 n ILE 32 Cb 0.48 -1.53 -0.05 0.00 0.54 0.00 0.00 39.64 39.07 2b98 n ILE 32 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2b98 s LYS 33 N -1.06 4.56 -0.02 9.51 1.02 -0.02 -4.99 119.74 128.74 2b98 s LYS 33 Ca 0.62 1.16 0.04 0.00 0.02 0.00 0.00 55.97 57.81 2b98 s LYS 33 Cb -0.61 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.38 2b98 s LYS 33 CO 0.55 0.43 -0.14 0.42 -0.92 0.00 0.00 175.35 175.69 2b98 s ILE 34 N -0.63 1.15 -0.03 2.17 -1.09 -1.26 -2.06 121.20 119.45 2b98 s ILE 34 Ca 0.38 -0.60 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 2b98 s ILE 34 Cb -0.22 -0.97 0.01 0.00 -1.58 0.00 0.00 42.46 39.69 2b98 s ILE 34 CO 0.25 0.33 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.59 2b98 s ILE 35 N -0.16 0.65 -0.04 2.92 -1.09 -0.73 -5.00 121.20 117.75 2b98 s ILE 35 Ca 0.02 -0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.23 2b98 s ILE 35 Cb -0.07 -0.59 -0.01 0.00 -1.58 0.00 0.00 42.46 40.20 2b98 s ILE 35 CO 0.00 0.21 -0.24 -0.13 -1.23 0.00 0.00 174.94 173.56 2b98 s ARG 36 N 0.30 2.17 -0.01 2.79 0.52 -1.26 -0.25 118.95 123.20 2b98 s ARG 36 Ca -0.04 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 2b98 s ARG 36 Cb -0.09 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.41 2b98 s ARG 36 CO 0.00 0.45 -0.04 0.21 0.02 0.00 0.00 175.30 175.94 2b98 s LYS 37 N -0.37 0.42 -0.11 3.54 2.20 -0.75 -4.97 119.74 119.70 2b98 s LYS 37 Ca 0.03 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 2b98 s LYS 37 Cb -0.11 -0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 35.75 2b98 s LYS 37 CO 0.01 0.05 -0.12 0.99 -0.36 0.00 0.00 175.35 175.91 2b98 s THR 38 N 0.17 3.16 0.35 3.43 2.01 -1.26 -2.11 115.64 121.37 2b98 s THR 38 Ca -0.02 -0.64 0.09 0.00 0.31 0.00 0.00 61.69 61.43 2b98 s THR 38 Cb -0.05 -2.31 -0.06 0.00 0.01 0.00 0.00 72.50 70.10 2b98 s THR 38 CO -0.00 0.54 0.00 0.68 -0.69 0.00 0.00 174.62 175.15 2b98 s VAL 39 N 0.05 2.54 0.05 3.82 -7.23 0.01 -4.97 120.40 114.67 2b98 s VAL 39 Ca -0.04 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 57.87 2b98 s VAL 39 Cb -0.14 -2.79 -0.17 0.00 0.56 0.00 0.00 36.38 33.83 2b98 s VAL 39 CO 0.04 -0.18 1.52 -0.65 -0.31 0.00 0.00 175.10 175.52 2b98 h PRO 40 N 1.82 -0.36 0.00 4.82 0.11 -1.94 -1.99 132.00 134.46 2b98 h PRO 40 Ca -0.43 0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.11 2b98 h PRO 40 Cb 1.25 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.31 2b98 h PRO 40 CO 0.68 -0.14 -0.49 0.41 -0.21 0.00 0.00 178.00 178.25 2b98 n GLY 41 N -0.85 3.27 0.13 -0.55 0.00 -1.26 -1.67 105.19 104.25 2b98 n GLY 41 Ca -0.10 -2.17 -0.02 0.00 0.00 0.00 0.00 46.02 43.73 2b98 n GLY 41 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2b98 h ILE 42 N 1.62 1.43 0.00 -0.61 2.10 -1.95 -2.82 117.51 117.27 2b98 h ILE 42 Ca -0.35 -2.33 0.00 0.00 1.08 0.00 0.00 64.86 63.26 2b98 h ILE 42 Cb 1.27 2.27 0.00 0.00 -1.09 0.00 0.00 36.82 39.28 2b98 h ILE 42 CO 0.56 0.65 0.00 0.29 -1.08 0.00 0.00 178.15 178.58 2b98 n LYS 43 N -3.67 0.10 0.00 2.19 5.02 -1.26 -2.44 118.16 118.10 2b98 n LYS 43 Ca -0.01 0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 2b98 n LYS 43 Cb 0.67 -1.66 0.28 0.00 -0.02 0.00 0.00 35.03 34.30 2b98 n LYS 43 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2b98 n ASP 44 N -1.84 1.18 0.01 4.39 10.43 -1.06 -4.45 116.55 125.21 2b98 n ASP 44 Ca 0.04 -0.96 -0.12 0.00 2.57 0.00 0.00 54.79 56.32 2b98 n ASP 44 Cb 0.28 0.24 -0.08 0.00 1.84 0.00 0.00 41.12 43.39 2b98 n ASP 44 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2b98 h LEU 45 N 1.31 -0.00 -0.58 0.64 3.38 -1.54 -3.28 115.31 115.23 2b98 h LEU 45 Ca 0.00 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 57.85 2b98 h LEU 45 Cb 0.55 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 2b98 h LEU 45 CO 0.00 0.24 -0.02 -0.65 0.09 0.00 0.00 178.44 178.10 2b98 h PRO 46 N -0.24 0.10 -0.12 1.13 0.11 -1.78 -0.37 132.00 130.82 2b98 h PRO 46 Ca -0.00 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.88 2b98 h PRO 46 Cb 0.24 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.34 2b98 h PRO 46 CO 0.00 0.06 -0.81 0.28 -0.21 0.00 0.00 178.00 177.32 2b98 h VAL 47 N 0.10 1.30 -0.50 3.15 2.07 -1.88 -1.56 116.25 118.93 2b98 h VAL 47 Ca 0.30 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.77 2b98 h VAL 47 Cb 0.48 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2b98 h VAL 47 CO -0.51 0.64 0.31 0.00 0.02 0.00 0.00 177.57 178.03 2b98 h ALA 48 N 0.61 0.63 -0.35 1.67 0.00 -1.55 0.11 119.26 120.38 2b98 h ALA 48 Ca -0.06 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2b98 h ALA 48 Cb 1.43 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2b98 h ALA 48 CO 0.16 0.10 0.13 0.00 0.00 0.00 0.00 179.25 179.64 2b98 h LYS 50 N 0.29 0.75 -0.86 0.00 3.64 -0.71 -2.14 116.57 117.55 2b98 h LYS 50 Ca 0.16 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2b98 h LYS 50 Cb 0.12 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 2b98 h LYS 50 CO -0.15 0.73 0.55 0.87 -2.27 0.00 0.00 179.45 179.18 2b98 h LYS 51 N 0.64 1.13 -0.65 1.90 1.57 -0.71 0.20 116.57 120.65 2b98 h LYS 51 Ca 0.15 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2b98 h LYS 51 Cb 0.30 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 2b98 h LYS 51 CO -0.00 0.76 0.13 -0.07 -0.57 0.00 0.00 179.45 179.70 2b98 h LEU 52 N 1.17 0.99 -0.49 2.94 4.07 -1.08 0.78 115.31 123.68 2b98 h LEU 52 Ca 0.31 -0.21 -0.16 0.00 0.08 0.00 0.00 57.88 57.90 2b98 h LEU 52 Cb -0.11 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.36 2b98 h LEU 52 CO -0.07 0.97 -0.45 -0.07 -1.08 0.00 0.00 178.44 177.75 2b98 h LEU 53 N 0.99 0.79 0.01 1.67 3.38 -1.01 -2.25 115.31 118.89 2b98 h LEU 53 Ca 0.20 -0.38 -0.35 0.00 0.09 0.00 0.00 57.88 57.44 2b98 h LEU 53 Cb 0.39 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2b98 h LEU 53 CO 0.01 1.12 -2.18 -0.62 0.09 0.00 0.00 178.44 176.86 2b98 n GLU 54 N -4.02 0.67 -0.00 1.13 1.02 0.02 -4.01 120.64 115.46 2b98 n GLU 54 Ca -0.03 0.11 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 2b98 n GLU 54 Cb 0.56 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 2b98 n GLU 54 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b98 n GLU 55 N -2.92 4.10 -0.02 3.49 1.02 0.27 -4.53 120.64 122.05 2b98 n GLU 55 Ca -0.30 -0.01 0.01 0.00 -0.02 0.00 0.00 57.16 56.84 2b98 n GLU 55 Cb 1.11 -0.84 0.02 0.00 -0.02 0.00 0.00 31.44 31.70 2b98 n GLU 55 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2b98 n GLU 56 N -1.25 1.44 -3.18 3.49 -0.58 -1.11 -5.00 120.64 114.45 2b98 n GLU 56 Ca 0.01 -1.19 -0.23 0.00 -0.42 0.00 0.00 57.16 55.33 2b98 n GLU 56 Cb 0.10 -1.04 0.04 0.00 -0.57 0.00 0.00 31.44 29.97 2b98 n GLU 56 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b98 n GLY 57 N -0.15 -0.52 3.75 0.62 0.00 -1.13 -4.97 105.19 102.79 2b98 n GLY 57 Ca 0.02 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2b98 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b98 h ASP 59 N 4.59 0.00 -5.05 0.00 5.19 -1.15 -3.42 116.42 116.58 2b98 h ASP 59 Ca -0.45 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.91 2b98 h ASP 59 Cb 1.21 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.58 2b98 h ASP 59 CO 0.70 0.71 -0.02 -0.51 -3.12 0.00 0.00 179.24 177.00 2b98 s ILE 60 N -3.23 0.05 0.02 0.35 2.07 -1.18 -4.47 121.20 114.82 2b98 s ILE 60 Ca 0.00 -0.43 0.04 0.00 -1.41 0.00 0.00 60.65 58.85 2b98 s ILE 60 Cb 0.11 -1.08 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2b98 s ILE 60 CO 0.77 -0.24 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.75 2b98 s VAL 61 N -3.40 0.91 -0.23 4.00 1.01 -1.00 -0.95 120.40 120.73 2b98 s VAL 61 Ca 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 2b98 s VAL 61 Cb 0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2b98 s VAL 61 CO -0.09 0.02 0.10 -0.04 0.00 0.00 0.00 175.10 175.08 2b98 s MET 62 N -0.90 3.84 -0.37 2.72 -1.94 0.26 -0.09 119.30 122.83 2b98 s MET 62 Ca 0.01 -0.39 -0.11 0.00 -1.71 0.00 0.00 55.69 53.49 2b98 s MET 62 Cb -0.07 -3.36 0.03 0.00 2.01 0.00 0.00 34.83 33.44 2b98 s MET 62 CO 0.01 -0.02 0.20 0.00 -0.01 0.00 0.00 175.02 175.21 2b98 s ALA 63 N 1.19 3.27 -0.20 3.03 0.00 -0.37 -1.18 121.76 127.50 2b98 s ALA 63 Ca 0.05 -1.71 -0.05 0.00 0.00 0.00 0.00 51.96 50.25 2b98 s ALA 63 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 2b98 s ALA 63 CO 0.04 -1.37 0.01 -0.51 0.00 0.00 0.00 175.76 173.93 2b98 s LEU 64 N 1.55 3.32 0.17 0.00 1.43 0.12 0.50 118.68 125.78 2b98 s LEU 64 Ca 0.02 -0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 2b98 s LEU 64 Cb -0.19 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2b98 s LEU 64 CO 0.07 0.07 0.41 -0.83 0.23 0.00 0.00 176.35 176.29 2b98 s GLY 65 N 0.97 0.12 -0.33 -3.19 0.00 -0.36 -3.91 107.32 100.61 2b98 s GLY 65 Ca 0.02 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 2b98 s GLY 65 CO 0.02 -0.51 0.15 1.06 0.00 0.00 0.00 173.10 173.82 2b98 s MET 66 N -3.90 0.57 0.44 2.90 -1.94 -1.26 -0.92 119.30 115.18 2b98 s MET 66 Ca 0.12 -1.06 -0.26 0.00 -1.71 0.00 0.00 55.69 52.78 2b98 s MET 66 Cb 0.01 -1.59 -0.09 0.00 2.01 0.00 0.00 34.83 35.17 2b98 s MET 66 CO -0.03 -1.07 1.45 -2.30 -0.01 0.00 0.00 175.02 173.06 2b98 n PRO 67 N 4.64 2.34 0.00 2.03 -0.02 -1.25 -4.71 135.00 138.04 2b98 n PRO 67 Ca 0.01 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2b98 n PRO 67 Cb 0.40 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2b98 n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b98 n GLY 68 N 0.55 -1.93 0.10 -1.23 0.00 -1.26 -1.38 105.19 100.04 2b98 n GLY 68 Ca 0.04 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 2b98 n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b98 n LYS 69 N -0.46 0.68 -1.55 1.61 5.02 -1.26 -4.25 118.16 117.95 2b98 n LYS 69 Ca 0.00 0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 56.04 2b98 n LYS 69 Cb 0.00 -1.58 0.08 0.00 -0.02 0.00 0.00 35.03 33.51 2b98 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b98 s ALA 70 N -2.52 2.23 -2.00 7.82 0.00 -1.26 -4.88 121.76 121.16 2b98 s ALA 70 Ca -0.14 0.78 0.09 0.00 0.00 0.00 0.00 51.96 52.68 2b98 s ALA 70 Cb 0.07 -3.42 0.52 0.00 0.00 0.00 0.00 23.12 20.29 2b98 s ALA 70 CO 0.79 -1.67 0.94 -0.85 0.00 0.00 0.00 175.76 174.96 2b98 n GLU 71 N -2.60 0.32 -0.10 0.00 0.28 -1.26 -1.80 120.64 115.48 2b98 n GLU 71 Ca 0.12 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.01 2b98 n GLU 71 Cb 0.51 -1.42 -0.15 0.00 1.43 0.00 0.00 31.44 31.80 2b98 n GLU 71 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2b98 n LYS 72 N -0.92 0.71 0.13 3.44 4.81 -1.26 -3.67 118.16 121.40 2b98 n LYS 72 Ca 0.07 0.02 -0.02 0.00 -0.87 0.00 0.00 58.31 57.50 2b98 n LYS 72 Cb 0.03 -1.52 0.18 0.00 0.02 0.00 0.00 35.03 33.74 2b98 n LYS 72 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2b98 h ASP 73 N 0.00 0.06 -1.00 3.14 3.45 -1.68 -2.23 116.42 118.16 2b98 h ASP 73 Ca -0.55 -0.04 0.02 0.00 0.43 0.00 0.00 57.03 56.90 2b98 h ASP 73 Cb 2.18 -0.02 -0.05 0.00 -0.56 0.00 0.00 39.33 40.88 2b98 h ASP 73 CO 0.01 0.64 0.66 0.11 -1.57 0.00 0.00 179.24 179.09 2b98 h LYS 74 N 0.04 1.27 -0.08 3.56 1.57 -1.61 -0.96 116.57 120.37 2b98 h LYS 74 Ca -0.01 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 2b98 h LYS 74 Cb 1.06 -0.29 0.01 0.00 0.08 0.00 0.00 32.23 33.09 2b98 h LYS 74 CO 0.08 0.84 -0.47 0.28 -0.57 0.00 0.00 179.45 179.61 2b98 h VAL 75 N 1.31 1.39 -0.59 0.50 2.07 -1.60 -2.61 116.25 116.72 2b98 h VAL 75 Ca 0.38 -1.83 0.12 0.00 0.82 0.00 0.00 66.70 66.18 2b98 h VAL 75 Cb -0.08 2.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.86 2b98 h VAL 75 CO -0.10 0.54 0.06 0.00 0.02 0.00 0.00 177.57 178.09 2b98 h ALA 77 N 1.50 0.85 -0.23 0.00 0.00 -1.18 0.21 119.26 120.41 2b98 h ALA 77 Ca 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b98 h ALA 77 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2b98 h ALA 77 CO -0.45 0.66 0.14 1.25 0.00 0.00 0.00 179.25 180.86 2b98 h HIS 78 N 0.93 0.30 -0.16 0.00 6.17 -1.11 0.40 115.15 121.67 2b98 h HIS 78 Ca 0.16 0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.28 2b98 h HIS 78 Cb 0.58 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 30.38 2b98 h HIS 78 CO 0.04 0.22 -0.07 0.93 0.71 0.00 0.00 177.93 179.76 2b98 h GLU 79 N 0.29 -0.04 -0.18 5.26 5.08 -0.79 -2.15 114.58 122.05 2b98 h GLU 79 Ca 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2b98 h GLU 79 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2b98 h GLU 79 CO -0.02 -0.03 -0.07 0.00 -1.00 0.00 0.00 179.01 177.90 2b98 h ALA 80 N 1.11 1.56 -0.22 3.43 0.00 -0.21 -2.55 119.26 122.38 2b98 h ALA 80 Ca 0.09 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2b98 h ALA 80 Cb 0.18 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2b98 h ALA 80 CO -0.19 0.32 -0.36 0.77 0.00 0.00 0.00 179.25 179.78 2b98 h SER 81 N 0.26 0.70 -0.24 0.00 0.02 0.26 -1.76 113.55 112.79 2b98 h SER 81 Ca 0.06 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2b98 h SER 81 Cb 0.29 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2b98 h SER 81 CO 0.01 1.09 0.15 -0.07 -1.14 0.00 0.00 176.83 176.88 2b98 h LEU 82 N 0.33 0.26 -0.58 5.07 3.38 -1.33 -1.00 115.31 121.45 2b98 h LEU 82 Ca 0.02 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2b98 h LEU 82 Cb 0.95 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.52 2b98 h LEU 82 CO 0.08 0.19 -0.16 1.23 0.09 0.00 0.00 178.44 179.87 2b98 h GLY 83 N 0.31 0.37 0.79 0.83 0.00 -1.44 0.23 103.07 104.16 2b98 h GLY 83 Ca 0.09 0.22 0.04 0.00 0.00 0.00 0.00 47.33 47.67 2b98 h GLY 83 CO -0.02 -0.23 0.36 1.41 0.00 0.00 0.00 176.54 178.06 2b98 h LEU 84 N -0.02 0.56 -0.81 3.11 3.38 -0.95 0.17 115.31 120.75 2b98 h LEU 84 Ca 0.28 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 2b98 h LEU 84 Cb 0.44 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2b98 h LEU 84 CO -0.61 0.38 0.22 0.24 0.09 0.00 0.00 178.44 178.77 2b98 h MET 85 N 0.69 1.11 -0.38 1.13 2.86 0.19 -2.05 114.93 118.48 2b98 h MET 85 Ca 0.26 -0.23 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 2b98 h MET 85 Cb 0.09 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2b98 h MET 85 CO -0.14 0.94 -0.31 -0.07 1.06 0.00 0.00 176.91 178.40 2b98 h LEU 86 N 1.07 0.88 -0.76 1.22 3.38 -0.10 -1.18 115.31 119.82 2b98 h LEU 86 Ca 0.23 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2b98 h LEU 86 Cb 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2b98 h LEU 86 CO -0.01 1.12 0.35 0.00 0.09 0.00 0.00 178.44 179.99 2b98 h ALA 87 N 0.93 0.99 -0.47 1.53 0.00 -0.83 -1.48 119.26 119.93 2b98 h ALA 87 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2b98 h ALA 87 Cb 0.87 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2b98 h ALA 87 CO 0.08 0.57 0.26 1.96 0.00 0.00 0.00 179.25 182.12 2b98 h GLN 88 N 1.09 0.65 0.00 0.00 4.20 -1.13 -2.62 115.11 117.30 2b98 h GLN 88 Ca 0.26 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 2b98 h GLN 88 Cb 0.14 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2b98 h GLN 88 CO -0.03 0.51 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.16 2b98 h LEU 89 N 0.62 0.00 -0.12 1.46 3.38 -0.92 -3.14 115.31 116.59 2b98 h LEU 89 Ca 0.17 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 2b98 h LEU 89 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2b98 h LEU 89 CO -0.03 0.41 -0.66 0.24 0.09 0.00 0.00 178.44 178.50 2b98 h MET 90 N 0.00 0.65 -6.83 1.13 2.86 -1.23 -3.41 114.93 108.09 2b98 h MET 90 Ca -0.00 -0.54 -0.48 0.00 -2.06 0.00 0.00 59.70 56.62 2b98 h MET 90 Cb 0.90 0.12 0.03 0.00 0.06 0.00 0.00 31.60 32.71 2b98 h MET 90 CO 0.05 1.16 0.01 0.95 1.06 0.00 0.00 176.91 180.15 2b98 s THR 91 N -3.67 4.41 -1.00 2.22 -4.23 -0.99 -5.01 115.64 107.36 2b98 s THR 91 Ca -0.12 -0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 2b98 s THR 91 Cb 0.07 -3.67 0.32 0.00 1.34 0.00 0.00 72.50 70.56 2b98 s THR 91 CO 0.87 -0.57 1.73 0.59 -0.54 0.00 0.00 174.62 176.70 2b98 n ASN 92 N -2.20 7.08 -3.84 3.99 5.03 -1.25 -4.64 115.26 119.44 2b98 n ASN 92 Ca 0.01 -3.66 -0.12 0.00 0.87 0.00 0.00 54.58 51.67 2b98 n ASN 92 Cb 0.57 -1.14 -0.13 0.00 -1.02 0.00 0.00 39.78 38.06 2b98 n ASN 92 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2b98 s LYS 93 N -4.12 0.11 0.29 3.52 1.02 -1.21 -5.10 119.74 114.25 2b98 s LYS 93 Ca 0.39 0.14 -0.29 0.00 0.02 0.00 0.00 55.97 56.22 2b98 s LYS 93 Cb 0.18 0.05 -0.10 0.00 -0.52 0.00 0.00 37.83 37.45 2b98 s LYS 93 CO -0.11 -0.01 1.17 -1.01 -0.92 0.00 0.00 175.35 174.47 2b98 s HIS 94 N 0.06 3.41 -0.20 3.18 3.76 -1.26 -4.43 115.29 119.81 2b98 s HIS 94 Ca -0.00 1.60 0.02 0.00 -0.15 0.00 0.00 55.06 56.52 2b98 s HIS 94 Cb -0.01 -3.41 0.03 0.00 1.11 0.00 0.00 32.58 30.30 2b98 s HIS 94 CO 0.00 -0.99 -0.17 0.42 -0.85 0.00 0.00 174.74 173.15 2b98 s ILE 95 N -1.09 2.07 -0.45 0.60 1.01 -1.26 -2.38 121.20 119.70 2b98 s ILE 95 Ca 0.46 -1.12 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 2b98 s ILE 95 Cb -0.34 -1.96 0.03 0.00 0.01 0.00 0.00 42.46 40.19 2b98 s ILE 95 CO 0.44 0.38 0.99 -0.63 0.00 0.00 0.00 174.94 176.13 2b98 s ILE 96 N 1.24 4.40 -0.28 2.92 -1.09 0.87 -4.92 121.20 124.35 2b98 s ILE 96 Ca 0.01 0.96 -0.29 0.00 -2.23 0.00 0.00 60.65 59.10 2b98 s ILE 96 Cb -0.15 -4.48 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 2b98 s ILE 96 CO -0.11 -0.85 1.25 -0.70 -1.23 0.00 0.00 174.94 173.30 2b98 s GLU 97 N 3.94 4.00 -0.79 2.79 2.12 -1.26 -1.23 118.70 128.27 2b98 s GLU 97 Ca 0.41 1.29 -0.01 0.00 0.36 0.00 0.00 54.97 57.01 2b98 s GLU 97 Cb -0.09 -3.83 0.20 0.00 0.26 0.00 0.00 34.13 30.66 2b98 s GLU 97 CO 0.27 -1.01 0.64 0.08 -0.54 0.00 0.00 175.26 174.70 2b98 s VAL 98 N 4.08 3.94 -0.25 3.70 1.01 0.18 -4.95 120.40 128.12 2b98 s VAL 98 Ca 0.54 -3.68 -0.10 0.00 0.00 0.00 0.00 61.98 58.74 2b98 s VAL 98 Cb -0.17 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2b98 s VAL 98 CO 0.20 -1.02 0.14 -0.36 0.00 0.00 0.00 175.10 174.07 2b98 s PHE 99 N -1.01 3.23 -0.41 5.22 2.99 -1.26 -1.23 117.98 125.52 2b98 s PHE 99 Ca 0.24 0.05 -0.02 0.00 0.00 0.00 0.00 56.93 57.20 2b98 s PHE 99 Cb -0.11 -2.28 0.11 0.00 0.00 0.00 0.00 43.02 40.75 2b98 s PHE 99 CO -0.10 -0.07 0.20 0.08 -0.00 0.00 0.00 175.22 175.32 2b98 s VAL 100 N 1.30 3.23 0.48 -0.44 1.01 -0.10 -4.99 120.40 120.89 2b98 s VAL 100 Ca 0.07 -2.09 -0.24 0.00 0.00 0.00 0.00 61.98 59.71 2b98 s VAL 100 Cb -0.14 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 2b98 s VAL 100 CO 0.06 -0.69 1.38 -1.00 0.00 0.00 0.00 175.10 174.85 2b98 s HIS 101 N 1.10 2.44 0.25 5.22 3.76 -1.26 -3.80 115.29 123.00 2b98 s HIS 101 Ca 0.09 1.33 0.31 0.00 -0.15 0.00 0.00 55.06 56.63 2b98 s HIS 101 Cb -0.23 -3.84 1.41 0.00 1.11 0.00 0.00 32.58 31.04 2b98 s HIS 101 CO -0.04 -2.80 2.01 0.93 -0.85 0.00 0.00 174.74 173.99 2b98 h GLU 102 N 2.03 0.00 0.00 1.40 5.08 -1.40 -2.97 114.58 118.71 2b98 h GLU 102 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2b98 h GLU 102 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2b98 h GLU 102 CO 0.60 0.08 0.00 -0.25 -1.00 0.00 0.00 179.01 178.44 2b98 n ASP 103 N -3.28 0.34 0.17 1.42 10.43 -1.26 -3.37 116.55 120.99 2b98 n ASP 103 Ca -0.00 0.58 0.10 0.00 2.57 0.00 0.00 54.79 58.04 2b98 n ASP 103 Cb 0.29 -0.65 0.10 0.00 1.84 0.00 0.00 41.12 42.70 2b98 n ASP 103 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2b98 h GLU 104 N 0.00 0.00 -6.21 -1.24 5.08 -1.91 -3.45 114.58 106.85 2b98 h GLU 104 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2b98 h GLU 104 Cb 0.34 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.51 2b98 h GLU 104 CO 0.00 0.06 -0.58 0.00 -1.00 0.00 0.00 179.01 177.49 2b98 s ALA 105 N -3.22 3.53 -1.09 3.43 0.00 -1.22 -5.03 121.76 118.16 2b98 s ALA 105 Ca 0.04 -1.20 0.22 0.00 0.00 0.00 0.00 51.96 51.02 2b98 s ALA 105 Cb 0.07 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2b98 s ALA 105 CO 0.72 0.54 1.04 1.63 0.00 0.00 0.00 175.76 179.68 2b98 n LYS 106 N -0.20 0.10 -2.72 0.00 5.02 -1.26 -4.95 118.16 114.15 2b98 n LYS 106 Ca -0.08 -0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.08 2b98 n LYS 106 Cb 0.54 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.07 2b98 n LYS 106 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2b98 n ASP 107 N -1.38 -1.25 0.08 4.39 5.68 -1.26 -5.05 116.55 117.76 2b98 n ASP 107 Ca 0.05 -1.80 -0.10 0.00 -0.50 0.00 0.00 54.79 52.44 2b98 n ASP 107 Cb 0.34 2.07 -0.04 0.00 -1.14 0.00 0.00 41.12 42.35 2b98 n ASP 107 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2b98 h ASP 108 N 1.17 0.26 -0.63 -1.12 3.32 -1.99 -2.88 116.42 114.55 2b98 h ASP 108 Ca -0.19 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 2b98 h ASP 108 Cb 0.72 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 2b98 h ASP 108 CO 0.24 1.07 0.39 0.11 -1.72 0.00 0.00 179.24 179.33 2b98 h LYS 109 N 0.10 0.85 -0.63 3.56 1.57 -1.99 -0.30 116.57 119.72 2b98 h LYS 109 Ca -0.05 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2b98 h LYS 109 Cb 1.60 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.71 2b98 h LYS 109 CO 0.14 0.59 0.19 0.93 -0.57 0.00 0.00 179.45 180.74 2b98 h GLU 110 N 0.85 0.98 -0.45 3.15 5.08 -1.97 -2.36 114.58 119.85 2b98 h GLU 110 Ca 0.23 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2b98 h GLU 110 Cb -0.05 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2b98 h GLU 110 CO -0.04 0.86 -0.14 1.25 -1.00 0.00 0.00 179.01 179.94 2b98 h LEU 111 N 0.90 0.84 -0.17 1.33 6.46 -1.21 0.65 115.31 124.11 2b98 h LEU 111 Ca 0.20 -0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2b98 h LEU 111 Cb 0.30 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 2b98 h LEU 111 CO -0.01 0.99 0.09 -0.78 -0.62 0.00 0.00 178.44 178.11 2b98 h ASP 112 N 0.76 0.22 0.34 1.25 1.82 -1.07 -1.54 116.42 118.20 2b98 h ASP 112 Ca 0.12 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 2b98 h ASP 112 Cb 0.65 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 2b98 h ASP 112 CO 0.05 0.27 -0.23 -0.25 -1.61 0.00 0.00 179.24 177.47 2b98 h TRP 113 N 0.16 -0.60 -0.37 0.28 7.01 -0.98 -2.39 115.95 119.06 2b98 h TRP 113 Ca 0.06 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.07 2b98 h TRP 113 Cb 0.11 0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 2b98 h TRP 113 CO -0.03 -0.35 0.22 1.25 -2.79 0.00 0.00 178.44 176.74 2b98 h LEU 114 N -0.56 0.37 -0.56 0.65 7.12 0.29 -1.55 115.31 121.08 2b98 h LEU 114 Ca -0.03 -0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.92 2b98 h LEU 114 Cb 0.47 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 2b98 h LEU 114 CO 0.02 0.27 0.13 0.00 -0.13 0.00 0.00 178.44 178.73 2b98 h ALA 115 N 1.16 0.73 -0.64 1.25 0.00 -1.30 -1.30 119.26 119.16 2b98 h ALA 115 Ca 0.14 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2b98 h ALA 115 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2b98 h ALA 115 CO -0.06 0.44 0.11 0.87 0.00 0.00 0.00 179.25 180.62 2b98 h LYS 116 N 0.80 1.05 0.05 0.00 1.57 -1.31 -2.02 116.57 116.70 2b98 h LYS 116 Ca 0.17 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2b98 h LYS 116 Cb 0.36 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2b98 h LYS 116 CO 0.00 0.97 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.74 2b98 h ARG 117 N 0.96 -0.06 -0.84 3.15 9.65 -1.13 -1.93 114.38 124.19 2b98 h ARG 117 Ca 0.19 0.00 0.13 0.00 -1.10 0.00 0.00 59.98 59.21 2b98 h ARG 117 Cb 0.42 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 28.93 2b98 h ARG 117 CO 0.01 0.39 0.44 -0.09 2.80 0.00 0.00 179.97 183.52 2b98 h ARG 118 N -0.54 0.64 -0.13 0.20 2.43 -1.28 -0.99 114.38 114.71 2b98 h ARG 118 Ca -0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2b98 h ARG 118 Cb 0.48 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2b98 h ARG 118 CO 0.01 0.42 0.08 0.00 -1.51 0.00 0.00 179.97 178.97 2b98 h ALA 119 N 1.53 0.17 -0.35 2.80 0.00 -1.32 -1.83 119.26 120.27 2b98 h ALA 119 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2b98 h ALA 119 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2b98 h ALA 119 CO -0.33 -0.30 0.22 1.49 0.00 0.00 0.00 179.25 180.32 2b98 h GLU 120 N 0.13 0.46 -0.13 0.00 4.81 -0.83 -0.10 114.58 118.93 2b98 h GLU 120 Ca 0.05 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2b98 h GLU 120 Cb 0.05 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2b98 h GLU 120 CO -0.01 0.34 -0.46 0.93 -0.73 0.00 0.00 179.01 179.08 2b98 h GLU 121 N 0.46 0.32 -0.06 1.92 5.08 -1.13 -0.72 114.58 120.45 2b98 h GLU 121 Ca 0.13 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2b98 h GLU 121 Cb -0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2b98 h GLU 121 CO -0.02 0.72 -0.63 0.45 -1.00 0.00 0.00 179.01 178.52 2b98 h HIS 122 N 0.26 0.31 -0.74 4.33 3.86 -1.21 -1.33 115.15 120.64 2b98 h HIS 122 Ca 0.02 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.07 2b98 h HIS 122 Cb 0.91 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 2b98 h HIS 122 CO 0.02 0.80 0.32 0.00 0.86 0.00 0.00 177.93 179.94 2b98 h ALA 123 N 1.17 1.18 -0.58 2.45 0.00 -0.34 -0.86 119.26 122.28 2b98 h ALA 123 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2b98 h ALA 123 Cb 1.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2b98 h ALA 123 CO 0.10 0.61 0.01 1.49 0.00 0.00 0.00 179.25 181.45 2b98 h GLU 124 N 1.06 1.00 -0.70 0.00 4.81 -0.92 -2.55 114.58 117.27 2b98 h GLU 124 Ca 0.25 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2b98 h GLU 124 Cb 0.15 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2b98 h GLU 124 CO -0.03 0.98 0.38 -0.91 -0.73 0.00 0.00 179.01 178.70 2b98 h ASN 125 N 0.92 0.86 -0.28 1.04 -0.26 -0.57 -2.42 115.58 114.88 2b98 h ASN 125 Ca 0.17 -0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2b98 h ASN 125 Cb 0.52 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 2b98 h ASN 125 CO 0.03 0.70 0.16 0.58 -1.06 0.00 0.00 177.43 177.83 2b98 h VAL 126 N 0.98 1.12 -0.36 2.81 2.07 -1.00 -1.33 116.25 120.53 2b98 h VAL 126 Ca 0.25 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2b98 h VAL 126 Cb 0.03 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 2b98 h VAL 126 CO -0.04 0.12 -0.24 0.22 0.02 0.00 0.00 177.57 177.64 2b98 h TYR 127 N 0.34 -0.64 -0.60 1.57 3.20 -1.04 0.40 116.97 120.19 2b98 h TYR 127 Ca 0.10 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2b98 h TYR 127 Cb 0.05 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2b98 h TYR 127 CO -0.04 -0.32 0.35 1.88 -1.64 0.00 0.00 178.16 178.40 2b98 h TYR 128 N -0.19 0.81 -0.60 -3.82 0.05 -1.34 0.59 116.97 112.46 2b98 h TYR 128 Ca 0.18 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.92 2b98 h TYR 128 Cb 0.47 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 2b98 h TYR 128 CO -0.45 0.56 0.25 -0.07 -1.05 0.00 0.00 178.16 177.40 2b98 h LEU 129 N 0.82 0.79 -0.05 3.88 3.38 -0.55 0.30 115.31 123.89 2b98 h LEU 129 Ca 0.22 -0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 2b98 h LEU 129 Cb 0.00 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.56 2b98 h LEU 129 CO -0.04 0.70 -1.05 -0.07 0.09 0.00 0.00 178.44 178.08 2b98 h LEU 130 N 0.86 0.70 0.00 1.67 4.07 -0.66 -3.42 115.31 118.52 2b98 h LEU 130 Ca 0.21 -0.59 0.00 0.00 0.08 0.00 0.00 57.88 57.58 2b98 h LEU 130 Cb 0.15 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.68 2b98 h LEU 130 CO -0.02 1.40 -0.73 0.49 -1.08 0.00 0.00 178.44 178.49 2b98 n PHE 131 N -3.77 0.00 -3.08 1.13 3.01 0.18 -1.74 117.46 113.19 2b98 n PHE 131 Ca -0.09 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.21 2b98 n PHE 131 Cb 0.89 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.35 2b98 n PHE 131 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2b98 n LYS 132 N -1.62 1.00 0.11 -1.08 3.00 0.86 -4.97 118.16 115.47 2b98 n LYS 132 Ca 0.00 -3.32 0.12 0.00 -0.00 0.00 0.00 58.31 55.11 2b98 n LYS 132 Cb 0.37 -1.60 0.47 0.00 0.00 0.00 0.00 35.03 34.26 2b98 n LYS 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2b98 n PRO 133 N 0.21 0.19 0.22 1.64 -0.04 0.03 -2.22 135.00 135.03 2b98 n PRO 133 Ca 0.21 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 2b98 n PRO 133 Cb 0.69 -1.82 0.37 0.00 -0.04 0.00 0.00 33.50 32.70 2b98 n PRO 133 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2b98 h GLU 134 N 0.00 0.00 -0.24 0.54 5.08 -1.93 -3.14 114.58 114.88 2b98 h GLU 134 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2b98 h GLU 134 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2b98 h GLU 134 CO 0.00 0.14 -0.46 -0.92 -1.00 0.00 0.00 179.01 176.77 2b98 h TYR 135 N 0.00 0.76 -0.14 4.33 3.20 -1.81 -2.79 116.97 120.52 2b98 h TYR 135 Ca -0.00 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.58 2b98 h TYR 135 Cb 0.86 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2b98 h TYR 135 CO 0.00 0.97 -0.11 -0.07 -1.64 0.00 0.00 178.16 177.31 2b98 h LEU 136 N 0.50 0.20 -1.21 2.82 3.38 -1.67 -0.89 115.31 118.44 2b98 h LEU 136 Ca 0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2b98 h LEU 136 Cb 0.99 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2b98 h LEU 136 CO 0.09 0.34 0.02 0.74 0.09 0.00 0.00 178.44 179.72 2b98 h THR 137 N 0.21 1.20 -0.14 0.22 2.02 -1.57 -1.81 112.91 113.03 2b98 h THR 137 Ca 0.04 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 2b98 h THR 137 Cb 0.33 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2b98 h THR 137 CO 0.02 0.27 -0.04 -0.09 0.37 0.00 0.00 175.52 176.04 2b98 h ARG 138 N 0.54 0.21 -0.60 6.66 2.43 -0.91 -2.33 114.38 120.38 2b98 h ARG 138 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2b98 h ARG 138 Cb 0.32 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2b98 h ARG 138 CO 0.01 0.27 0.00 -1.33 -1.51 0.00 0.00 179.97 177.41 2b98 n MET 139 N -4.37 3.48 -1.90 0.20 2.81 -0.98 -4.95 117.12 111.41 2b98 n MET 139 Ca -0.01 -2.78 -0.42 0.00 -1.81 0.00 0.00 57.70 52.69 2b98 n MET 139 Cb 0.19 -1.79 -0.03 0.00 -0.71 0.00 0.00 33.22 30.89 2b98 n MET 139 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b98 s ALA 140 N -1.74 3.67 0.00 3.04 0.00 -0.72 -2.52 121.76 123.49 2b98 s ALA 140 Ca 0.47 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2b98 s ALA 140 Cb 0.30 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2b98 s ALA 140 CO 0.24 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2b98 n GLY 141 N 4.09 0.51 0.00 0.00 0.00 -1.26 -5.05 105.19 103.48 2b98 n GLY 141 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2b98 n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b98 n LYS 142 N -2.91 1.14 -0.05 1.61 4.76 -1.05 -4.65 118.16 117.01 2b98 n LYS 142 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 2b98 n LYS 142 Cb 0.00 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.22 2b98 n LYS 142 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b98 n GLY 143 N 5.00 0.09 3.71 0.72 0.00 -1.26 -4.49 105.19 108.96 2b98 n GLY 143 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2b98 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b98 s LEU 144 N -0.76 4.37 0.08 0.99 1.43 -1.26 0.17 118.68 123.69 2b98 s LEU 144 Ca 0.05 2.50 0.03 0.00 -1.03 0.00 0.00 54.13 55.68 2b98 s LEU 144 Cb 0.03 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2b98 s LEU 144 CO 0.03 -0.80 -0.09 -0.13 0.23 0.00 0.00 176.35 175.59 2b98 s ARG 145 N 1.56 0.74 -0.20 1.70 1.81 -1.26 -4.78 118.95 118.52 2b98 s ARG 145 Ca 0.69 -1.06 -0.02 0.00 -1.72 0.00 0.00 55.73 53.63 2b98 s ARG 145 Cb -0.41 -0.40 0.00 0.00 -0.45 0.00 0.00 34.95 33.70 2b98 s ARG 145 CO 0.31 0.05 -0.12 -0.65 -0.68 0.00 0.00 175.30 174.22 2b98 s GLN 146 N -2.59 3.21 0.00 3.54 1.11 -1.26 -4.66 119.66 119.00 2b98 s GLN 146 Ca 0.02 -0.72 0.00 0.00 0.01 0.00 0.00 55.36 54.67 2b98 s GLN 146 Cb -0.04 -2.80 0.00 0.00 -1.01 0.00 0.00 33.01 29.17 2b98 s GLN 146 CO -0.01 -0.18 0.00 0.41 0.01 0.00 0.00 175.29 175.52 2b98 n GLY 147 N 4.66 1.44 3.75 3.09 0.00 -1.26 -4.68 105.19 112.19 2b98 n GLY 147 Ca -0.19 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 2b98 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b98 s PHE 148 N 0.00 2.42 0.57 1.61 2.99 -1.26 -4.72 117.98 119.59 2b98 s PHE 148 Ca 0.00 1.59 -0.20 0.00 0.00 0.00 0.00 56.93 58.32 2b98 s PHE 148 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 43.02 39.83 2b98 s PHE 148 CO 0.00 -1.97 1.23 -1.83 -0.00 0.00 0.00 175.22 172.66 2b98 s GLU 149 N -4.61 3.08 0.18 0.44 1.03 -1.26 -4.63 118.70 112.93 2b98 s GLU 149 Ca 0.64 1.91 -0.33 0.00 0.03 0.00 0.00 54.97 57.22 2b98 s GLU 149 Cb -0.19 -2.05 -0.14 0.00 -0.80 0.00 0.00 34.13 30.95 2b98 s GLU 149 CO 0.52 -1.14 1.47 -0.25 -1.33 0.00 0.00 175.26 174.54 2b98 n ASP 150 N -1.36 2.73 0.26 0.83 10.43 -1.26 -4.72 116.55 123.47 2b98 n ASP 150 Ca 0.12 1.11 0.16 0.00 2.57 0.00 0.00 54.79 58.75 2b98 n ASP 150 Cb 0.48 -1.39 0.58 0.00 1.84 0.00 0.00 41.12 42.63 2b98 n ASP 150 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2b98 h ALA 151 N 5.08 1.00 -0.53 2.24 0.00 0.15 -3.48 119.26 123.73 2b98 h ALA 151 Ca -0.45 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.47 2b98 h ALA 151 Cb 1.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2b98 h ALA 151 CO 0.82 0.04 -0.18 0.41 0.00 0.00 0.00 179.25 180.34 2b98 n GLY 152 N 0.21 -2.79 0.00 0.00 0.00 -1.02 -4.91 105.19 96.69 2b98 n GLY 152 Ca 0.01 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.77 2b98 n GLY 152 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77