#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b98 n LYS 3 N 0.00 -3.96 -4.75 1.09 4.76 -1.26 -4.26 118.16 109.78 2b98 n LYS 3 Ca 0.00 2.96 -0.26 0.00 -2.87 0.00 0.00 58.31 58.14 2b98 n LYS 3 Cb 0.00 -3.19 -0.16 0.00 -1.84 0.00 0.00 35.03 29.83 2b98 n LYS 3 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2b98 s LYS 4 N -1.23 1.86 -0.12 1.97 2.20 -1.26 -1.02 119.74 122.14 2b98 s LYS 4 Ca 0.00 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 2b98 s LYS 4 Cb 0.00 -1.54 -0.01 0.00 -1.51 0.00 0.00 37.83 34.77 2b98 s LYS 4 CO 0.00 0.14 -0.19 0.08 -0.36 0.00 0.00 175.35 175.02 2b98 s VAL 5 N 0.35 2.52 -0.04 4.02 1.01 0.24 -1.07 120.40 127.43 2b98 s VAL 5 Ca -0.10 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 2b98 s VAL 5 Cb -0.14 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2b98 s VAL 5 CO 0.04 0.54 0.42 -0.83 0.00 0.00 0.00 175.10 175.27 2b98 s GLY 6 N 0.39 2.45 -0.17 4.51 0.00 -0.31 -0.24 107.32 113.94 2b98 s GLY 6 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.36 2b98 s GLY 6 CO 0.07 0.35 -0.10 -0.42 0.00 0.00 0.00 173.10 172.99 2b98 s ILE 7 N -0.51 1.45 -0.17 0.90 1.01 0.20 -0.01 121.20 124.07 2b98 s ILE 7 Ca 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2b98 s ILE 7 Cb -0.16 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.83 2b98 s ILE 7 CO 0.12 0.28 -0.16 -0.69 0.00 0.00 0.00 174.94 174.50 2b98 s VAL 8 N 1.50 2.56 0.21 2.92 1.01 0.44 -1.83 120.40 127.21 2b98 s VAL 8 Ca 0.02 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2b98 s VAL 8 Cb -0.14 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2b98 s VAL 8 CO -0.09 0.51 0.06 -0.90 0.00 0.00 0.00 175.10 174.68 2b98 n ASP 9 N 4.27 1.36 -4.38 3.32 3.85 -0.98 0.15 116.55 124.14 2b98 n ASP 9 Ca -0.19 -2.05 -0.19 0.00 -0.71 0.00 0.00 54.79 51.64 2b98 n ASP 9 Cb 0.51 0.44 -0.10 0.00 -1.35 0.00 0.00 41.12 40.62 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 -2.21 1.50 -0.08 2.12 -4.23 -1.25 -1.03 115.64 110.46 2b98 s THR 10 Ca 0.08 -2.12 0.15 0.00 -1.18 0.00 0.00 61.69 58.62 2b98 s THR 10 Cb 0.00 -2.30 -0.17 0.00 1.34 0.00 0.00 72.50 71.37 2b98 s THR 10 CO 0.06 -0.40 0.78 0.71 -0.54 0.00 0.00 174.62 175.23 2b98 h THR 11 N 2.41 0.69 -0.91 3.99 1.35 -0.58 -3.36 112.91 116.50 2b98 h THR 11 Ca -0.39 -2.34 0.13 0.00 -0.55 0.00 0.00 66.41 63.26 2b98 h THR 11 Cb 1.23 2.23 -0.07 0.00 -1.73 0.00 0.00 68.15 69.80 2b98 h THR 11 CO 0.65 0.39 0.59 0.15 -0.25 0.00 0.00 175.52 177.05 2b98 h PHE 12 N 0.00 0.91 -2.61 4.73 3.57 -1.27 -3.44 116.94 118.82 2b98 h PHE 12 Ca -0.21 0.03 -0.60 0.00 3.53 0.00 0.00 57.97 60.72 2b98 h PHE 12 Cb 1.77 -0.29 0.13 0.00 2.79 0.00 0.00 35.95 40.36 2b98 h PHE 12 CO 0.00 0.35 -0.08 0.00 -2.23 0.00 0.00 178.31 176.35 2b98 n ALA 13 N -2.41 -0.64 0.96 2.41 0.00 -1.26 -4.92 120.51 114.65 2b98 n ALA 13 Ca 0.17 0.24 0.12 0.00 0.00 0.00 0.00 53.44 53.97 2b98 n ALA 13 Cb 0.42 -1.94 0.24 0.00 0.00 0.00 0.00 19.45 18.18 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 0.42 0.03 -4.06 0.00 1.74 -1.26 -4.90 116.66 108.62 2b98 n ARG 14 Ca 0.11 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 2b98 n ARG 14 Cb 0.38 -1.52 -0.14 0.00 -1.02 0.00 0.00 32.46 30.16 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 -3.02 0.31 -0.56 1.55 1.01 -1.26 -5.04 120.40 113.39 2b98 s VAL 15 Ca 0.10 -0.37 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 2b98 s VAL 15 Cb 0.17 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.28 2b98 s VAL 15 CO 0.70 -0.04 1.10 -0.62 0.00 0.00 0.00 175.10 176.24 2b98 s ASP 16 N -0.44 6.42 0.01 3.32 3.68 -1.26 -4.86 116.67 123.55 2b98 s ASP 16 Ca -0.02 -0.03 0.19 0.00 2.13 0.00 0.00 52.55 54.82 2b98 s ASP 16 Cb -0.03 -2.51 -0.18 0.00 -1.45 0.00 0.00 42.92 38.74 2b98 s ASP 16 CO -0.00 -1.38 0.64 0.23 0.13 0.00 0.00 175.17 174.79 2b98 n MET 17 N 8.07 0.64 -0.17 4.34 2.81 -1.26 -4.47 117.12 127.09 2b98 n MET 17 Ca 0.06 0.07 -0.07 0.00 -1.81 0.00 0.00 57.70 55.95 2b98 n MET 17 Cb 0.48 -1.69 0.02 0.00 -0.71 0.00 0.00 33.22 31.32 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 1.57 0.63 -0.43 3.04 0.00 -1.97 -2.88 119.26 119.21 2b98 h ALA 18 Ca -0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2b98 h ALA 18 Cb 1.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2b98 h ALA 18 CO 0.03 0.09 0.16 0.77 0.00 0.00 0.00 179.25 180.29 2b98 h SER 19 N 0.66 0.55 -0.04 0.00 0.02 -2.00 -0.52 113.55 112.23 2b98 h SER 19 Ca 0.18 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2b98 h SER 19 Cb -0.05 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 2b98 h SER 19 CO -0.04 0.52 0.01 0.40 -1.14 0.00 0.00 176.83 176.58 2b98 h ILE 20 N 0.61 1.17 -0.25 3.27 1.08 -1.80 -2.16 117.51 119.43 2b98 h ILE 20 Ca 0.15 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 2b98 h ILE 20 Cb 0.15 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2b98 h ILE 20 CO -0.01 0.14 0.07 0.00 -0.69 0.00 0.00 178.15 177.66 2b98 h ALA 21 N 0.81 0.32 -0.13 1.87 0.00 -1.13 -0.88 119.26 120.12 2b98 h ALA 21 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2b98 h ALA 21 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2b98 h ALA 21 CO -0.00 -0.04 0.03 0.82 0.00 0.00 0.00 179.25 180.06 2b98 h ILE 22 N 0.23 0.95 -0.94 0.00 2.04 -1.22 -0.99 117.51 117.57 2b98 h ILE 22 Ca 0.08 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2b98 h ILE 22 Cb 0.25 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2b98 h ILE 22 CO -0.00 0.01 0.61 0.50 0.00 0.00 0.00 178.15 179.27 2b98 h LYS 23 N 0.08 1.25 -0.72 2.37 3.64 -1.20 -0.98 116.57 121.02 2b98 h LYS 23 Ca 0.06 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2b98 h LYS 23 Cb 0.05 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.56 2b98 h LYS 23 CO -0.07 0.84 0.31 -0.22 -2.27 0.00 0.00 179.45 178.04 2b98 h LYS 24 N 1.29 1.06 -0.33 1.90 1.63 -1.00 -2.01 116.57 119.11 2b98 h LYS 24 Ca 0.34 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 2b98 h LYS 24 Cb -0.12 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.32 2b98 h LYS 24 CO -0.07 0.86 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.67 2b98 h LEU 25 N 1.02 0.60 -0.93 5.20 -0.00 -0.55 -1.42 115.31 119.23 2b98 h LEU 25 Ca 0.24 -0.34 -0.11 0.00 -0.00 0.00 0.00 57.88 57.67 2b98 h LEU 25 Cb 0.18 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 2b98 h LEU 25 CO -0.02 0.80 -0.53 0.11 -0.00 0.00 0.00 178.44 178.80 2b98 h LYS 26 N 0.39 0.01 0.01 1.13 1.57 -1.18 0.33 116.57 118.84 2b98 h LYS 26 Ca 0.09 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 2b98 h LYS 26 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2b98 h LYS 26 CO 0.03 0.54 -0.94 1.49 -0.57 0.00 0.00 179.45 179.99 2b98 h GLU 27 N 0.01 0.06 0.01 3.15 4.81 -1.33 -1.76 114.58 119.53 2b98 h GLU 27 Ca -0.00 -0.08 -0.20 0.00 -0.13 0.00 0.00 59.36 58.94 2b98 h GLU 27 Cb 0.94 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2b98 h GLU 27 CO 0.07 0.95 -0.92 -0.07 -0.73 0.00 0.00 179.01 178.31 2b98 h LEU 28 N 0.03 0.16 -6.20 1.64 3.38 -0.85 -3.41 115.31 110.05 2b98 h LEU 28 Ca -0.03 -0.14 -0.33 0.00 0.09 0.00 0.00 57.88 57.47 2b98 h LEU 28 Cb 1.64 -0.05 -0.29 0.00 0.09 0.00 0.00 40.66 42.05 2b98 h LEU 28 CO 0.13 0.99 -0.66 -0.55 0.09 0.00 0.00 178.44 178.44 2b98 s SER 29 N -6.87 0.61 0.65 -0.43 0.15 0.11 -5.04 113.70 102.88 2b98 s SER 29 Ca -0.02 -1.63 0.26 0.00 0.70 0.00 0.00 55.95 55.27 2b98 s SER 29 Cb 0.10 0.77 1.38 0.00 -1.71 0.00 0.00 66.02 66.57 2b98 s SER 29 CO 0.82 -0.22 1.79 -0.65 1.20 0.00 0.00 173.24 176.18 2b98 h PRO 30 N 6.74 0.00 -0.01 5.44 0.11 -1.53 -2.04 132.00 140.72 2b98 h PRO 30 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2b98 h PRO 30 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2b98 h PRO 30 CO 0.18 0.00 -0.54 0.09 -0.21 0.00 0.00 178.00 177.53 2b98 n ASN 31 N -3.02 1.40 -4.62 -2.05 4.13 -1.26 -4.96 115.26 104.88 2b98 n ASN 31 Ca 0.01 -1.20 -0.45 0.00 1.68 0.00 0.00 54.58 54.62 2b98 n ASN 31 Cb 0.55 0.67 -0.02 0.00 -1.54 0.00 0.00 39.78 39.44 2b98 n ASN 31 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2b98 n ILE 32 N -0.58 1.76 -2.79 2.41 -6.64 -0.77 -4.50 119.36 108.25 2b98 n ILE 32 Ca 0.06 -0.44 -0.41 0.00 -1.77 0.00 0.00 62.75 60.19 2b98 n ILE 32 Cb 0.34 -1.13 -0.05 0.00 -1.44 0.00 0.00 39.64 37.36 2b98 n ILE 32 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 2b98 s LYS 33 N -1.35 4.68 -0.09 6.28 1.02 -0.19 -4.99 119.74 125.10 2b98 s LYS 33 Ca 0.61 1.37 0.02 0.00 0.02 0.00 0.00 55.97 57.99 2b98 s LYS 33 Cb -0.69 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.28 2b98 s LYS 33 CO 0.58 0.29 -0.13 0.42 -0.92 0.00 0.00 175.35 175.58 2b98 s ILE 34 N -0.23 1.31 -0.17 2.17 1.01 -1.26 -0.59 121.20 123.44 2b98 s ILE 34 Ca 0.44 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2b98 s ILE 34 Cb -0.23 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.04 2b98 s ILE 34 CO 0.29 0.40 -0.16 -0.63 0.00 0.00 0.00 174.94 174.84 2b98 s ILE 35 N 0.89 2.56 -0.08 2.92 -1.09 0.66 -4.97 121.20 122.09 2b98 s ILE 35 Ca -0.10 -0.79 -0.03 0.00 -2.23 0.00 0.00 60.65 57.50 2b98 s ILE 35 Cb -0.15 -2.09 -0.04 0.00 -1.58 0.00 0.00 42.46 38.60 2b98 s ILE 35 CO 0.01 0.51 0.04 -0.13 -1.23 0.00 0.00 174.94 174.14 2b98 s ARG 36 N 0.99 3.08 -0.07 2.79 0.52 -1.26 0.59 118.95 125.59 2b98 s ARG 36 Ca -0.02 -0.36 -0.05 0.00 -0.52 0.00 0.00 55.73 54.78 2b98 s ARG 36 Cb -0.15 -2.88 0.03 0.00 0.52 0.00 0.00 34.95 32.47 2b98 s ARG 36 CO -0.03 0.71 0.18 0.21 0.02 0.00 0.00 175.30 176.39 2b98 s LYS 37 N -1.04 0.18 -0.10 3.54 2.20 -0.76 -4.96 119.74 118.79 2b98 s LYS 37 Ca 0.15 0.31 0.01 0.00 -0.36 0.00 0.00 55.97 56.09 2b98 s LYS 37 Cb -0.12 0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.19 2b98 s LYS 37 CO 0.04 -0.08 -0.14 0.99 -0.36 0.00 0.00 175.35 175.81 2b98 s THR 38 N 0.52 3.03 0.24 3.43 2.01 -1.26 -2.32 115.64 121.29 2b98 s THR 38 Ca -0.04 -0.69 0.12 0.00 0.31 0.00 0.00 61.69 61.39 2b98 s THR 38 Cb -0.05 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 2b98 s THR 38 CO -0.03 0.55 -0.22 0.68 -0.69 0.00 0.00 174.62 174.91 2b98 s VAL 39 N 0.02 2.44 0.13 3.82 -7.23 -0.19 -4.98 120.40 114.39 2b98 s VAL 39 Ca -0.04 -2.23 -0.32 0.00 -1.81 0.00 0.00 61.98 57.58 2b98 s VAL 39 Cb -0.14 -2.23 -0.09 0.00 0.56 0.00 0.00 36.38 34.47 2b98 s VAL 39 CO 0.04 -0.27 1.56 -0.65 -0.31 0.00 0.00 175.10 175.47 2b98 h PRO 40 N 2.70 -0.49 -4.76 4.82 0.10 -1.93 -0.66 132.00 131.77 2b98 h PRO 40 Ca -0.43 0.03 -0.34 0.00 0.10 0.00 0.00 66.00 65.36 2b98 h PRO 40 Cb 1.24 0.11 -0.14 0.00 0.10 0.00 0.00 31.00 32.30 2b98 h PRO 40 CO 0.54 -0.33 -0.58 0.20 0.10 0.00 0.00 178.00 177.94 2b98 s GLY 41 N -2.40 1.81 0.27 -0.55 0.00 -1.26 -0.91 107.32 104.27 2b98 s GLY 41 Ca -0.15 -1.81 -0.02 0.00 0.00 0.00 0.00 44.72 42.74 2b98 s GLY 41 CO 0.62 -1.48 1.88 1.19 0.00 0.00 0.00 173.10 175.31 2b98 h ILE 42 N 2.39 1.09 0.00 0.90 2.10 -1.94 -1.03 117.51 121.02 2b98 h ILE 42 Ca -0.33 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.20 2b98 h ILE 42 Cb 1.25 -0.19 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 2b98 h ILE 42 CO 0.50 0.21 0.00 0.11 -1.08 0.00 0.00 178.15 177.90 2b98 h LYS 43 N 1.18 0.00 -0.00 2.19 1.57 -1.97 -2.46 116.57 117.08 2b98 h LYS 43 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2b98 h LYS 43 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2b98 h LYS 43 CO -0.17 0.00 -0.48 -0.25 -0.57 0.00 0.00 179.45 177.97 2b98 n ASP 44 N -2.69 0.51 0.13 0.86 10.43 -0.40 -4.37 116.55 121.03 2b98 n ASP 44 Ca -0.00 -0.26 -0.14 0.00 2.57 0.00 0.00 54.79 56.96 2b98 n ASP 44 Cb 0.16 0.23 -0.08 0.00 1.84 0.00 0.00 41.12 43.28 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 0.04 -0.23 -0.63 0.64 3.38 -1.39 -3.23 115.31 113.89 2b98 h LEU 45 Ca 0.00 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.98 2b98 h LEU 45 Cb 0.50 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2b98 h LEU 45 CO 0.00 -0.10 0.34 -0.65 0.09 0.00 0.00 178.44 178.12 2b98 h PRO 46 N -0.34 0.60 -0.13 1.13 0.11 -1.77 0.21 132.00 131.81 2b98 h PRO 46 Ca -0.03 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.87 2b98 h PRO 46 Cb 0.26 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 2b98 h PRO 46 CO 0.04 0.40 -0.67 0.28 -0.21 0.00 0.00 178.00 177.85 2b98 h VAL 47 N 0.62 1.34 -0.19 3.15 2.07 -1.87 -1.70 116.25 119.68 2b98 h VAL 47 Ca 0.29 -1.98 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 2b98 h VAL 47 Cb 0.20 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2b98 h VAL 47 CO -0.19 0.61 0.11 0.00 0.02 0.00 0.00 177.57 178.12 2b98 h ALA 48 N 0.90 0.24 -0.36 1.67 0.00 -1.48 -0.67 119.26 119.55 2b98 h ALA 48 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2b98 h ALA 48 Cb 1.24 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2b98 h ALA 48 CO 0.12 -0.26 0.13 0.00 0.00 0.00 0.00 179.25 179.24 2b98 h LYS 50 N 0.28 0.88 -0.81 0.00 3.64 -1.12 -2.06 116.57 117.38 2b98 h LYS 50 Ca 0.16 -0.35 0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2b98 h LYS 50 Cb 0.14 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 2b98 h LYS 50 CO -0.16 1.00 0.49 0.87 -2.27 0.00 0.00 179.45 179.37 2b98 h LYS 51 N 0.71 0.86 -0.82 1.90 1.57 -1.10 -0.29 116.57 119.40 2b98 h LYS 51 Ca 0.11 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2b98 h LYS 51 Cb 0.70 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2b98 h LYS 51 CO 0.05 0.57 0.45 -0.07 -0.57 0.00 0.00 179.45 179.89 2b98 h LEU 52 N 0.89 1.02 -0.24 2.94 4.07 -0.96 0.21 115.31 123.23 2b98 h LEU 52 Ca 0.36 -0.08 -0.17 0.00 0.08 0.00 0.00 57.88 58.06 2b98 h LEU 52 Cb 0.19 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2b98 h LEU 52 CO -0.18 0.81 -0.53 -0.07 -1.08 0.00 0.00 178.44 177.39 2b98 h LEU 53 N 1.15 0.88 0.00 1.67 3.38 -0.66 -2.50 115.31 119.23 2b98 h LEU 53 Ca 0.29 -0.55 -0.22 0.00 0.09 0.00 0.00 57.88 57.48 2b98 h LEU 53 Cb 0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2b98 h LEU 53 CO -0.05 1.27 -1.89 -0.62 0.09 0.00 0.00 178.44 177.25 2b98 n GLU 54 N -4.08 0.65 -0.03 1.13 1.02 -0.19 -3.72 120.64 115.41 2b98 n GLU 54 Ca -0.05 0.08 0.02 0.00 -0.02 0.00 0.00 57.16 57.19 2b98 n GLU 54 Cb 0.61 -1.66 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.75 0.93 -0.09 3.49 1.02 0.71 -4.56 120.64 119.40 2b98 n GLU 55 Ca -0.18 -0.09 0.05 0.00 -0.02 0.00 0.00 57.16 56.92 2b98 n GLU 55 Cb 0.93 -1.35 0.09 0.00 -0.02 0.00 0.00 31.44 31.09 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 -2.19 1.94 -2.29 3.49 -0.58 -1.14 -4.99 120.64 114.88 2b98 n GLU 56 Ca -0.10 -1.62 -0.20 0.00 -0.42 0.00 0.00 57.16 54.83 2b98 n GLU 56 Cb 0.59 -1.20 -0.02 0.00 -0.57 0.00 0.00 31.44 30.24 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 0.39 -0.20 3.72 0.62 0.00 -1.22 -4.97 105.19 103.53 2b98 n GLY 57 Ca 0.08 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 6.55 0.00 -4.34 0.00 3.45 -1.43 -3.41 116.42 117.24 2b98 h ASP 59 Ca -0.42 0.00 0.10 0.00 0.43 0.00 0.00 57.03 57.14 2b98 h ASP 59 Cb 1.21 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 39.79 2b98 h ASP 59 CO 0.81 0.24 0.54 -0.51 -1.57 0.00 0.00 179.24 178.75 2b98 s ILE 60 N -3.66 0.00 0.03 0.35 2.07 -1.23 -4.54 121.20 114.22 2b98 s ILE 60 Ca 0.00 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 2b98 s ILE 60 Cb 0.10 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 2b98 s ILE 60 CO 0.64 0.00 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.89 2b98 s VAL 61 N -1.95 0.69 -0.26 4.00 1.01 -0.90 -1.16 120.40 121.84 2b98 s VAL 61 Ca 0.01 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2b98 s VAL 61 Cb -0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 2b98 s VAL 61 CO -0.03 -0.14 0.04 -0.04 0.00 0.00 0.00 175.10 174.93 2b98 s MET 62 N -1.09 3.37 -0.36 2.72 -1.94 0.99 -0.10 119.30 122.89 2b98 s MET 62 Ca -0.03 -0.66 -0.13 0.00 -1.71 0.00 0.00 55.69 53.15 2b98 s MET 62 Cb -0.07 -3.23 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 2b98 s MET 62 CO 0.01 -0.28 0.25 0.00 -0.01 0.00 0.00 175.02 174.99 2b98 s ALA 63 N 1.53 3.48 -0.21 3.03 0.00 -0.56 -0.42 121.76 128.61 2b98 s ALA 63 Ca 0.05 -1.49 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 2b98 s ALA 63 Cb -0.16 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2b98 s ALA 63 CO 0.01 -1.12 0.01 -0.51 0.00 0.00 0.00 175.76 174.14 2b98 s LEU 64 N 1.70 3.23 -0.03 0.00 1.43 0.12 -0.01 118.68 125.13 2b98 s LEU 64 Ca 0.06 -0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2b98 s LEU 64 Cb -0.18 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.22 2b98 s LEU 64 CO 0.10 0.04 0.17 -0.83 0.23 0.00 0.00 176.35 176.06 2b98 s GLY 65 N 1.17 -0.05 -0.47 -3.19 0.00 -0.13 -3.96 107.32 100.69 2b98 s GLY 65 Ca 0.03 0.19 0.03 0.00 0.00 0.00 0.00 44.72 44.96 2b98 s GLY 65 CO 0.01 0.07 0.31 -0.29 0.00 0.00 0.00 173.10 173.20 2b98 s MET 66 N -0.74 1.35 0.37 2.90 1.75 -1.26 -1.05 119.30 122.62 2b98 s MET 66 Ca -0.08 -2.22 -0.27 0.00 -1.25 0.00 0.00 55.69 51.87 2b98 s MET 66 Cb -0.05 -2.22 -0.09 0.00 2.84 0.00 0.00 34.83 35.31 2b98 s MET 66 CO 0.01 -1.24 1.24 -2.14 -0.65 0.00 0.00 175.02 172.23 2b98 s PRO 67 N 0.01 4.15 0.94 4.11 0.02 -1.22 -4.65 135.00 138.36 2b98 s PRO 67 Ca 0.23 2.02 -0.16 0.00 0.02 0.00 0.00 61.00 63.11 2b98 s PRO 67 Cb -0.14 -2.84 0.24 0.00 0.02 0.00 0.00 34.50 31.78 2b98 s PRO 67 CO -0.08 -0.30 0.68 0.41 -0.33 0.00 0.00 177.00 177.39 2b98 n GLY 68 N 0.74 -3.29 0.10 0.52 0.00 -1.26 -2.16 105.19 99.84 2b98 n GLY 68 Ca 0.03 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.53 2b98 n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b98 h LYS 69 N 0.00 0.18 -7.18 1.61 1.57 -1.96 -3.40 116.57 107.39 2b98 h LYS 69 Ca -0.28 -0.31 -0.54 0.00 -1.87 0.00 0.00 60.65 57.65 2b98 h LYS 69 Cb 0.90 0.11 0.17 0.00 0.08 0.00 0.00 32.23 33.50 2b98 h LYS 69 CO 0.18 1.06 0.39 0.00 -0.57 0.00 0.00 179.45 180.51 2b98 s ALA 70 N -2.64 2.01 0.48 3.86 0.00 -1.26 -4.82 121.76 119.39 2b98 s ALA 70 Ca -0.05 0.93 0.16 0.00 0.00 0.00 0.00 51.96 52.99 2b98 s ALA 70 Cb 0.08 -3.50 1.16 0.00 0.00 0.00 0.00 23.12 20.85 2b98 s ALA 70 CO 0.85 -2.06 2.07 1.49 0.00 0.00 0.00 175.76 178.11 2b98 h GLU 71 N -0.47 0.00 -0.60 0.00 4.81 -1.99 -1.67 114.58 114.66 2b98 h GLU 71 Ca -0.47 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.67 2b98 h GLU 71 Cb 1.30 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 2b98 h GLU 71 CO 0.48 0.09 0.05 -0.22 -0.73 0.00 0.00 179.01 178.68 2b98 h LYS 72 N 0.00 1.03 -0.72 1.92 3.64 -1.98 -2.29 116.57 118.16 2b98 h LYS 72 Ca -0.00 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 2b98 h LYS 72 Cb 0.17 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2b98 h LYS 72 CO 0.01 0.99 0.39 -0.44 -2.27 0.00 0.00 179.45 178.13 2b98 h ASP 73 N 0.93 0.91 -0.09 4.20 3.45 -1.66 -2.61 116.42 121.55 2b98 h ASP 73 Ca 0.18 -0.10 -0.06 0.00 0.43 0.00 0.00 57.03 57.48 2b98 h ASP 73 Cb 0.50 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 2b98 h ASP 73 CO 0.02 0.75 -0.10 0.11 -1.57 0.00 0.00 179.24 178.46 2b98 h LYS 74 N 1.00 0.39 -0.32 3.56 1.57 -1.26 -0.13 116.57 121.38 2b98 h LYS 74 Ca 0.25 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2b98 h LYS 74 Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2b98 h LYS 74 CO -0.04 0.49 0.08 0.28 -0.57 0.00 0.00 179.45 179.70 2b98 h VAL 75 N 0.37 1.22 -0.70 0.50 2.07 -1.18 -2.14 116.25 116.39 2b98 h VAL 75 Ca 0.07 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2b98 h VAL 75 Cb 0.40 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2b98 h VAL 75 CO 0.02 0.24 0.15 0.00 0.02 0.00 0.00 177.57 178.00 2b98 h ALA 77 N 1.08 0.59 -0.31 0.00 0.00 -1.00 0.12 119.26 119.75 2b98 h ALA 77 Ca 0.22 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2b98 h ALA 77 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2b98 h ALA 77 CO 0.01 -0.01 0.20 1.25 0.00 0.00 0.00 179.25 180.70 2b98 h HIS 78 N 0.58 0.37 -0.13 0.00 6.17 -1.16 -0.58 115.15 120.39 2b98 h HIS 78 Ca 0.18 0.01 -0.19 0.00 0.71 0.00 0.00 60.37 61.07 2b98 h HIS 78 Cb -0.02 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.79 2b98 h HIS 78 CO -0.06 0.23 -0.71 0.93 0.71 0.00 0.00 177.93 179.03 2b98 h GLU 79 N 0.40 0.59 -0.27 5.26 5.08 -0.41 -2.59 114.58 122.64 2b98 h GLU 79 Ca 0.12 -0.46 -0.18 0.00 -1.00 0.00 0.00 59.36 57.84 2b98 h GLU 79 Cb -0.01 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2b98 h GLU 79 CO -0.03 1.08 -0.54 0.00 -1.00 0.00 0.00 179.01 178.53 2b98 h ALA 80 N 0.80 0.43 -0.47 3.43 0.00 -0.53 -2.46 119.26 120.45 2b98 h ALA 80 Ca -0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2b98 h ALA 80 Cb 1.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2b98 h ALA 80 CO 0.13 0.64 0.28 0.77 0.00 0.00 0.00 179.25 181.08 2b98 h SER 81 N 0.62 0.57 -0.20 0.00 0.02 -1.13 0.32 113.55 113.74 2b98 h SER 81 Ca 0.01 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2b98 h SER 81 Cb 1.15 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 2b98 h SER 81 CO 0.12 0.46 0.06 -0.07 -1.14 0.00 0.00 176.83 176.26 2b98 h LEU 82 N 0.63 0.05 -0.34 5.07 3.38 -1.50 -1.79 115.31 120.82 2b98 h LEU 82 Ca 0.17 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.23 2b98 h LEU 82 Cb 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 2b98 h LEU 82 CO -0.03 0.06 -0.12 1.23 0.09 0.00 0.00 178.44 179.67 2b98 h GLY 83 N 0.15 0.19 0.57 0.83 0.00 -0.93 0.55 103.07 104.42 2b98 h GLY 83 Ca 0.09 0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.63 2b98 h GLY 83 CO -0.10 -0.15 0.11 1.41 0.00 0.00 0.00 176.54 177.81 2b98 h LEU 84 N -0.05 0.09 -1.14 3.11 3.38 -0.30 -0.86 115.31 119.54 2b98 h LEU 84 Ca 0.17 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2b98 h LEU 84 Cb 0.31 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2b98 h LEU 84 CO -0.38 0.08 0.16 -0.03 0.09 0.00 0.00 178.44 178.36 2b98 h MET 85 N 0.26 0.76 -0.15 1.13 4.05 -0.55 -2.01 114.93 118.43 2b98 h MET 85 Ca 0.19 -0.13 -0.18 0.00 -0.28 0.00 0.00 59.70 59.30 2b98 h MET 85 Cb 0.21 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2b98 h MET 85 CO -0.22 0.66 -0.64 -0.07 0.23 0.00 0.00 176.91 176.87 2b98 h LEU 86 N 0.74 0.63 -0.72 3.39 3.38 -0.56 -2.86 115.31 119.31 2b98 h LEU 86 Ca 0.17 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2b98 h LEU 86 Cb 0.23 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2b98 h LEU 86 CO -0.01 1.11 0.45 0.00 0.09 0.00 0.00 178.44 180.08 2b98 h ALA 87 N 0.89 0.92 -0.36 1.53 0.00 -0.68 -1.89 119.26 119.67 2b98 h ALA 87 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2b98 h ALA 87 Cb 1.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2b98 h ALA 87 CO 0.12 0.37 0.13 1.96 0.00 0.00 0.00 179.25 181.83 2b98 h GLN 88 N 0.98 0.55 -0.75 0.00 4.20 -1.41 -2.83 115.11 115.86 2b98 h GLN 88 Ca 0.26 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2b98 h GLN 88 Cb -0.06 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 2b98 h GLN 88 CO -0.05 0.56 0.31 -0.07 -0.67 0.00 0.00 178.83 178.90 2b98 h LEU 89 N 0.43 1.01 -0.49 1.46 3.38 -1.30 -2.63 115.31 117.17 2b98 h LEU 89 Ca 0.12 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2b98 h LEU 89 Cb 0.23 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2b98 h LEU 89 CO -0.01 0.89 0.00 0.24 0.09 0.00 0.00 178.44 179.65 2b98 h MET 90 N 1.08 0.00 -2.44 1.13 2.86 -1.30 -3.34 114.93 112.92 2b98 h MET 90 Ca 0.25 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.34 2b98 h MET 90 Cb 0.19 0.00 -0.38 0.00 0.06 0.00 0.00 31.60 31.47 2b98 h MET 90 CO -0.02 0.00 -0.85 0.95 1.06 0.00 0.00 176.91 178.05 2b98 s THR 91 N -3.26 0.09 0.00 2.22 -4.23 -1.04 -5.04 115.64 104.39 2b98 s THR 91 Ca 0.06 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2b98 s THR 91 Cb 0.10 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.88 2b98 s THR 91 CO 0.47 -0.97 0.03 0.59 -0.54 0.00 0.00 174.62 174.21 2b98 n ASN 92 N 3.84 0.00 -4.07 3.99 5.03 -1.02 -4.53 115.26 118.50 2b98 n ASN 92 Ca 0.15 -0.35 -0.17 0.00 0.87 0.00 0.00 54.58 55.08 2b98 n ASN 92 Cb 0.40 -0.01 -0.13 0.00 -1.02 0.00 0.00 39.78 39.02 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 0.71 0.71 0.39 3.52 1.02 -1.18 -5.08 119.74 119.84 2b98 s LYS 93 Ca 0.00 -0.58 -0.26 0.00 0.02 0.00 0.00 55.97 55.15 2b98 s LYS 93 Cb 0.00 -0.65 -0.09 0.00 -0.52 0.00 0.00 37.83 36.57 2b98 s LYS 93 CO 0.00 0.16 1.24 -1.01 -0.92 0.00 0.00 175.35 174.82 2b98 s HIS 94 N -0.73 2.97 -0.13 3.18 3.76 -1.26 -4.43 115.29 118.65 2b98 s HIS 94 Ca -0.01 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 2b98 s HIS 94 Cb -0.07 -3.55 0.02 0.00 1.11 0.00 0.00 32.58 30.10 2b98 s HIS 94 CO 0.00 -1.71 -0.12 0.42 -0.85 0.00 0.00 174.74 172.48 2b98 s ILE 95 N -1.30 1.38 -0.37 0.60 1.01 -1.26 -2.11 121.20 119.16 2b98 s ILE 95 Ca 0.56 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 60.45 2b98 s ILE 95 Cb -0.35 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2b98 s ILE 95 CO 0.45 0.43 0.77 -0.63 0.00 0.00 0.00 174.94 175.95 2b98 s ILE 96 N 1.45 4.75 -0.42 2.92 -1.09 0.86 -4.92 121.20 124.76 2b98 s ILE 96 Ca 0.03 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 58.99 2b98 s ILE 96 Cb -0.13 -4.20 0.02 0.00 -1.58 0.00 0.00 42.46 36.57 2b98 s ILE 96 CO -0.08 -0.43 1.20 -0.70 -1.23 0.00 0.00 174.94 173.70 2b98 s GLU 97 N 3.06 3.78 -0.92 2.79 2.12 -1.26 -1.50 118.70 126.77 2b98 s GLU 97 Ca 0.30 0.81 -0.03 0.00 0.36 0.00 0.00 54.97 56.41 2b98 s GLU 97 Cb -0.13 -3.90 0.23 0.00 0.26 0.00 0.00 34.13 30.59 2b98 s GLU 97 CO 0.17 -1.30 0.83 0.08 -0.54 0.00 0.00 175.26 174.49 2b98 s VAL 98 N 4.50 4.66 -0.27 3.70 1.01 0.99 -4.97 120.40 130.02 2b98 s VAL 98 Ca 0.51 -3.72 -0.09 0.00 0.00 0.00 0.00 61.98 58.69 2b98 s VAL 98 Cb -0.10 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2b98 s VAL 98 CO 0.28 -1.10 0.11 -0.36 0.00 0.00 0.00 175.10 174.04 2b98 s PHE 99 N -1.25 3.13 -0.32 5.22 2.99 -1.26 -0.96 117.98 125.55 2b98 s PHE 99 Ca 0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 56.93 56.85 2b98 s PHE 99 Cb -0.08 -2.29 0.05 0.00 0.00 0.00 0.00 43.02 40.70 2b98 s PHE 99 CO -0.11 -0.33 0.04 0.08 -0.00 0.00 0.00 175.22 174.90 2b98 s VAL 100 N 1.65 3.17 0.48 -0.44 1.01 -0.21 -5.00 120.40 121.06 2b98 s VAL 100 Ca 0.06 -1.40 -0.21 0.00 0.00 0.00 0.00 61.98 60.43 2b98 s VAL 100 Cb -0.16 -2.85 -0.08 0.00 0.00 0.00 0.00 36.38 33.29 2b98 s VAL 100 CO 0.06 -0.18 1.09 -1.00 0.00 0.00 0.00 175.10 175.07 2b98 s HIS 101 N 1.27 2.93 0.27 5.22 3.76 -1.26 -3.40 115.29 124.08 2b98 s HIS 101 Ca -0.03 1.57 0.18 0.00 -0.15 0.00 0.00 55.06 56.63 2b98 s HIS 101 Cb -0.20 -3.19 0.80 0.00 1.11 0.00 0.00 32.58 31.10 2b98 s HIS 101 CO -0.01 -1.12 1.81 0.93 -0.85 0.00 0.00 174.74 175.50 2b98 h GLU 102 N 1.70 0.00 -0.47 1.40 5.08 -1.64 -2.70 114.58 117.96 2b98 h GLU 102 Ca -0.49 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.00 2b98 h GLU 102 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2b98 h GLU 102 CO 0.59 0.35 0.52 -0.44 -1.00 0.00 0.00 179.01 179.03 2b98 h ASP 103 N 0.00 0.00 1.44 1.42 3.45 -1.85 -3.18 116.42 117.70 2b98 h ASP 103 Ca -0.00 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.34 2b98 h ASP 103 Cb 0.75 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.50 2b98 h ASP 103 CO 0.04 0.00 -0.54 -0.33 -1.57 0.00 0.00 179.24 176.85 2b98 h GLU 104 N 0.00 0.00 -6.15 3.56 5.08 -1.87 -3.45 114.58 111.75 2b98 h GLU 104 Ca 0.22 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 58.03 2b98 h GLU 104 Cb 1.26 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.43 2b98 h GLU 104 CO -0.00 0.54 -0.60 0.00 -1.00 0.00 0.00 179.01 177.94 2b98 s ALA 105 N -2.96 3.30 -0.04 3.43 0.00 -1.20 -5.05 121.76 119.24 2b98 s ALA 105 Ca 0.04 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.27 2b98 s ALA 105 Cb 0.08 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 2b98 s ALA 105 CO 0.75 0.17 -0.02 0.15 0.00 0.00 0.00 175.76 176.81 2b98 s LYS 106 N -3.74 2.81 0.34 0.00 1.02 -1.26 -4.94 119.74 113.96 2b98 s LYS 106 Ca 0.34 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.78 2b98 s LYS 106 Cb -0.04 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2b98 s LYS 106 CO 0.21 0.65 0.00 -0.40 -0.92 0.00 0.00 175.35 174.89 2b98 n ASP 107 N 1.78 -7.05 0.05 2.83 5.68 -1.26 -3.92 116.55 114.66 2b98 n ASP 107 Ca -0.16 0.66 -0.13 0.00 -0.50 0.00 0.00 54.79 54.66 2b98 n ASP 107 Cb 0.53 -3.90 -0.14 0.00 -1.14 0.00 0.00 41.12 36.48 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 -1.21 0.22 -0.65 -1.12 5.19 -1.99 -3.06 116.42 113.80 2b98 h ASP 108 Ca -0.02 -0.29 0.02 0.00 -0.62 0.00 0.00 57.03 56.12 2b98 h ASP 108 Cb 1.29 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.69 2b98 h ASP 108 CO 0.02 1.24 0.41 0.50 -3.12 0.00 0.00 179.24 178.29 2b98 h LYS 109 N 0.04 0.79 -0.30 3.56 3.64 -2.00 0.99 116.57 123.29 2b98 h LYS 109 Ca -0.17 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.00 2b98 h LYS 109 Cb 1.94 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 2b98 h LYS 109 CO 0.14 0.52 -0.44 1.49 -2.27 0.00 0.00 179.45 178.89 2b98 h GLU 110 N 0.81 0.76 -0.95 1.90 4.81 -1.68 -2.05 114.58 118.18 2b98 h GLU 110 Ca 0.25 -0.42 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2b98 h GLU 110 Cb -0.01 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 2b98 h GLU 110 CO -0.09 1.04 0.63 1.25 -0.73 0.00 0.00 179.01 181.11 2b98 h LEU 111 N 0.61 1.07 0.14 1.64 6.46 -1.33 0.13 115.31 124.02 2b98 h LEU 111 Ca 0.04 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2b98 h LEU 111 Cb 1.00 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 2b98 h LEU 111 CO 0.10 0.75 -0.06 -0.78 -0.62 0.00 0.00 178.44 177.82 2b98 h ASP 112 N 1.25 -0.15 0.04 1.25 1.82 -0.69 -2.28 116.42 117.65 2b98 h ASP 112 Ca 0.36 -0.19 0.02 0.00 -0.39 0.00 0.00 57.03 56.84 2b98 h ASP 112 Cb -0.08 0.04 -0.03 0.00 0.68 0.00 0.00 39.33 39.93 2b98 h ASP 112 CO -0.10 0.10 -0.19 -0.25 -1.61 0.00 0.00 179.24 177.20 2b98 h TRP 113 N -0.42 -0.51 0.08 0.28 7.01 -1.18 -2.73 115.95 118.49 2b98 h TRP 113 Ca -0.02 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2b98 h TRP 113 Cb 0.33 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 2b98 h TRP 113 CO 0.00 -0.28 -0.07 1.25 -2.79 0.00 0.00 178.44 176.55 2b98 h LEU 114 N -0.33 -0.19 -0.89 0.65 6.46 -0.74 -1.20 115.31 119.07 2b98 h LEU 114 Ca 0.05 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2b98 h LEU 114 Cb 0.39 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.34 2b98 h LEU 114 CO -0.15 -0.12 0.56 0.00 -0.62 0.00 0.00 178.44 178.11 2b98 h ALA 115 N 0.74 1.13 -0.34 1.25 0.00 -1.45 0.76 119.26 121.35 2b98 h ALA 115 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2b98 h ALA 115 Cb 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2b98 h ALA 115 CO -0.02 0.56 -0.06 0.87 0.00 0.00 0.00 179.25 180.61 2b98 h LYS 116 N 1.21 0.64 -0.51 0.00 1.57 -1.31 -1.77 116.57 116.40 2b98 h LYS 116 Ca 0.32 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 2b98 h LYS 116 Cb -0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2b98 h LYS 116 CO -0.06 0.80 -0.17 -0.09 -0.57 0.00 0.00 179.45 179.35 2b98 h ARG 117 N 0.43 1.02 -0.41 3.15 1.12 -0.98 -1.77 114.38 116.94 2b98 h ARG 117 Ca 0.09 -0.42 0.00 0.00 -1.11 0.00 0.00 59.98 58.54 2b98 h ARG 117 Cb 0.55 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.45 2b98 h ARG 117 CO 0.03 1.10 0.26 -0.09 -3.11 0.00 0.00 179.97 178.16 2b98 h ARG 118 N 0.89 0.54 -0.51 0.20 2.43 -0.84 -1.06 114.38 116.05 2b98 h ARG 118 Ca 0.12 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2b98 h ARG 118 Cb 0.75 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2b98 h ARG 118 CO 0.06 0.38 0.23 0.00 -1.51 0.00 0.00 179.97 179.13 2b98 h ALA 119 N 1.13 1.46 -0.02 2.80 0.00 -1.23 -1.19 119.26 122.21 2b98 h ALA 119 Ca 0.15 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2b98 h ALA 119 Cb -0.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2b98 h ALA 119 CO -0.03 0.43 -0.70 1.49 0.00 0.00 0.00 179.25 180.44 2b98 h GLU 120 N 0.71 0.51 -0.38 0.00 4.81 -1.01 -1.39 114.58 117.82 2b98 h GLU 120 Ca 0.18 -0.52 -0.12 0.00 -0.13 0.00 0.00 59.36 58.77 2b98 h GLU 120 Cb 0.10 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2b98 h GLU 120 CO -0.02 1.16 -0.24 0.93 -0.73 0.00 0.00 179.01 180.11 2b98 h GLU 121 N 0.07 0.78 -0.33 1.92 5.08 -1.06 -2.24 114.58 118.79 2b98 h GLU 121 Ca -0.08 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 2b98 h GLU 121 Cb 1.39 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 2b98 h GLU 121 CO 0.14 0.94 -0.20 0.45 -1.00 0.00 0.00 179.01 179.34 2b98 h HIS 122 N 0.67 0.70 -0.76 4.33 3.86 -1.27 -2.15 115.15 120.53 2b98 h HIS 122 Ca 0.09 -0.14 0.03 0.00 -1.16 0.00 0.00 60.37 59.19 2b98 h HIS 122 Cb 0.75 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 29.00 2b98 h HIS 122 CO 0.04 0.78 0.49 0.00 0.86 0.00 0.00 177.93 180.10 2b98 h ALA 123 N 1.22 1.00 -0.66 2.45 0.00 -0.86 -1.12 119.26 121.29 2b98 h ALA 123 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2b98 h ALA 123 Cb 0.65 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2b98 h ALA 123 CO 0.05 0.29 0.27 1.49 0.00 0.00 0.00 179.25 181.35 2b98 h GLU 124 N 0.95 0.98 -0.74 0.00 4.81 -1.18 -1.26 114.58 118.14 2b98 h GLU 124 Ca 0.30 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2b98 h GLU 124 Cb 0.00 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 2b98 h GLU 124 CO -0.11 0.81 0.49 -0.91 -0.73 0.00 0.00 179.01 178.56 2b98 h ASN 125 N 0.92 0.80 -0.27 1.04 -0.26 -0.96 -0.50 115.58 116.36 2b98 h ASN 125 Ca 0.22 -0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.96 2b98 h ASN 125 Cb 0.19 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 2b98 h ASN 125 CO -0.02 0.57 0.15 0.58 -1.06 0.00 0.00 177.43 177.65 2b98 h VAL 126 N 0.94 1.02 -0.89 2.81 2.07 -0.70 0.72 116.25 122.22 2b98 h VAL 126 Ca 0.28 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.79 2b98 h VAL 126 Cb -0.02 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2b98 h VAL 126 CO -0.07 0.06 0.54 0.22 0.02 0.00 0.00 177.57 178.33 2b98 h TYR 127 N 0.31 0.98 -0.14 1.57 3.20 -0.19 -1.85 116.97 120.85 2b98 h TYR 127 Ca 0.11 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 2b98 h TYR 127 Cb 0.01 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 37.97 2b98 h TYR 127 CO -0.08 0.42 -0.07 1.88 -1.64 0.00 0.00 178.16 178.66 2b98 h TYR 128 N 0.90 0.33 -0.17 -3.82 0.05 -0.60 -0.43 116.97 113.23 2b98 h TYR 128 Ca 0.42 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 59.11 2b98 h TYR 128 Cb 0.35 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 2b98 h TYR 128 CO -0.04 0.63 0.06 -0.07 -1.05 0.00 0.00 178.16 177.69 2b98 h LEU 129 N -0.06 0.21 0.12 3.88 3.38 -0.59 -1.23 115.31 121.02 2b98 h LEU 129 Ca 0.03 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.70 2b98 h LEU 129 Cb 0.54 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2b98 h LEU 129 CO 0.02 0.21 -1.38 -0.07 0.09 0.00 0.00 178.44 177.31 2b98 h LEU 130 N 0.24 0.38 0.00 1.67 4.07 -1.11 -3.42 115.31 117.15 2b98 h LEU 130 Ca 0.06 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 57.55 2b98 h LEU 130 Cb 0.07 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2b98 h LEU 130 CO -0.01 1.38 -0.78 0.49 -1.08 0.00 0.00 178.44 178.45 2b98 n PHE 131 N -3.48 0.00 -3.07 1.13 3.01 -0.19 -4.92 117.46 109.94 2b98 n PHE 131 Ca -0.12 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.17 2b98 n PHE 131 Cb 1.03 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.49 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 0.93 0.25 -1.08 0.00 -0.57 -4.98 118.16 111.08 2b98 n LYS 132 Ca 0.00 -2.96 0.08 0.00 0.00 0.00 0.00 58.31 55.43 2b98 n LYS 132 Cb 0.36 -1.48 0.62 0.00 0.00 0.00 0.00 35.03 34.53 2b98 n LYS 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2b98 h PRO 133 N 3.21 0.00 0.00 1.64 0.13 -1.52 -2.26 132.00 133.20 2b98 h PRO 133 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2b98 h PRO 133 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2b98 h PRO 133 CO 0.41 0.05 -0.05 0.93 -0.23 0.00 0.00 178.00 179.11 2b98 h GLU 134 N 0.00 0.00 -0.58 0.86 5.08 -1.94 -1.60 114.58 116.40 2b98 h GLU 134 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2b98 h GLU 134 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2b98 h GLU 134 CO 0.01 0.05 0.04 -0.92 -1.00 0.00 0.00 179.01 177.18 2b98 h TYR 135 N 0.00 1.03 -0.06 4.33 3.20 -1.77 -2.29 116.97 121.41 2b98 h TYR 135 Ca -0.00 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 2b98 h TYR 135 Cb 0.28 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2b98 h TYR 135 CO 0.00 0.90 -0.08 -0.07 -1.64 0.00 0.00 178.16 177.27 2b98 h LEU 136 N 0.90 0.08 -0.93 2.82 3.38 -1.43 -1.48 115.31 118.65 2b98 h LEU 136 Ca 0.17 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2b98 h LEU 136 Cb 0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2b98 h LEU 136 CO 0.02 0.18 -0.44 0.74 0.09 0.00 0.00 178.44 179.03 2b98 h THR 137 N 0.09 1.32 -0.12 0.22 2.02 -1.39 -1.59 112.91 113.45 2b98 h THR 137 Ca 0.02 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.60 2b98 h THR 137 Cb 0.21 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2b98 h THR 137 CO 0.01 0.47 -0.01 0.03 0.37 0.00 0.00 175.52 176.39 2b98 h ARG 138 N 0.17 0.18 -0.71 6.66 3.08 -0.74 -2.95 114.38 120.06 2b98 h ARG 138 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2b98 h ARG 138 Cb 0.85 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2b98 h ARG 138 CO 0.07 0.21 0.00 -1.33 -1.07 0.00 0.00 179.97 177.85 2b98 n MET 139 N -4.41 2.94 -1.70 0.04 2.81 -0.68 -4.95 117.12 111.17 2b98 n MET 139 Ca -0.01 -2.67 -0.42 0.00 -1.81 0.00 0.00 57.70 52.79 2b98 n MET 139 Cb 0.16 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 30.99 2b98 n MET 139 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2b98 n ALA 140 N 1.50 2.50 -1.16 3.04 0.00 -0.70 -2.67 120.51 123.02 2b98 n ALA 140 Ca 0.25 0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 2b98 n ALA 140 Cb 0.68 -2.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 2b98 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b98 n GLY 141 N 4.14 0.80 1.12 0.00 0.00 -1.26 -4.92 105.19 105.07 2b98 n GLY 141 Ca 0.17 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.79 2.47 -3.33 1.61 4.01 -1.09 -4.42 118.16 114.63 2b98 n LYS 142 Ca -0.05 -2.22 -0.17 0.00 -0.51 0.00 0.00 58.31 55.36 2b98 n LYS 142 Cb 0.18 -1.51 0.08 0.00 -0.51 0.00 0.00 35.03 33.27 2b98 n LYS 142 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2b98 n GLY 143 N 1.49 -0.30 3.75 0.72 0.00 -1.26 -3.30 105.19 106.29 2b98 n GLY 143 Ca 0.19 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.07 4.48 -0.00 0.99 1.02 -1.26 0.50 118.68 118.34 2b98 s LEU 144 Ca 0.10 1.49 0.07 0.00 0.02 0.00 0.00 54.13 55.81 2b98 s LEU 144 Cb -0.05 -3.24 -0.02 0.00 0.02 0.00 0.00 46.19 42.90 2b98 s LEU 144 CO 0.66 0.06 -0.21 -0.13 0.02 0.00 0.00 176.35 176.75 2b98 s ARG 145 N -0.29 1.61 -0.25 1.70 1.81 -1.26 -4.81 118.95 117.45 2b98 s ARG 145 Ca 0.38 -0.80 -0.08 0.00 -1.72 0.00 0.00 55.73 53.52 2b98 s ARG 145 Cb -0.21 -1.60 -0.03 0.00 -0.45 0.00 0.00 34.95 32.66 2b98 s ARG 145 CO 0.24 0.43 0.08 -0.65 -0.68 0.00 0.00 175.30 174.72 2b98 s GLN 146 N -0.67 3.69 0.00 3.54 1.11 -1.26 -4.56 119.66 121.51 2b98 s GLN 146 Ca 0.08 -0.46 0.00 0.00 0.01 0.00 0.00 55.36 54.99 2b98 s GLN 146 Cb -0.08 -3.36 0.00 0.00 -1.01 0.00 0.00 33.01 28.56 2b98 s GLN 146 CO -0.00 -0.17 0.00 0.41 0.01 0.00 0.00 175.29 175.53 2b98 n GLY 147 N 4.90 1.32 3.77 3.09 0.00 -1.26 -4.74 105.19 112.26 2b98 n GLY 147 Ca -0.16 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 2.64 0.69 1.61 0.08 -1.26 -4.69 117.98 117.05 2b98 s PHE 148 Ca 0.00 1.26 -0.17 0.00 0.12 0.00 0.00 56.93 58.14 2b98 s PHE 148 Cb 0.00 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.36 2b98 s PHE 148 CO 0.00 -1.96 1.27 -1.21 -0.10 0.00 0.00 175.22 173.22 2b98 s GLU 149 N -5.04 2.30 0.36 0.44 0.41 -1.26 -4.61 118.70 111.30 2b98 s GLU 149 Ca 0.62 1.98 -0.29 0.00 -0.41 0.00 0.00 54.97 56.87 2b98 s GLU 149 Cb -0.16 -1.83 -0.11 0.00 -1.78 0.00 0.00 34.13 30.25 2b98 s GLU 149 CO 0.55 -1.77 1.52 -0.51 -0.49 0.00 0.00 175.26 174.57 2b98 s ASP 150 N -1.60 6.33 0.25 -0.19 -0.00 -1.26 -4.66 116.67 115.54 2b98 s ASP 150 Ca 0.80 3.04 0.05 0.00 -0.00 0.00 0.00 52.55 56.44 2b98 s ASP 150 Cb -0.35 -2.66 0.30 0.00 -0.00 0.00 0.00 42.92 40.21 2b98 s ASP 150 CO 0.43 -0.90 1.59 0.00 -0.00 0.00 0.00 175.17 176.29 2b98 h ALA 151 N 3.46 0.91 0.00 5.23 0.00 -0.26 -3.47 119.26 125.13 2b98 h ALA 151 Ca -0.50 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2b98 h ALA 151 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2b98 h ALA 151 CO 0.68 0.70 0.00 0.41 0.00 0.00 0.00 179.25 181.03 2b98 n GLY 152 N 0.15 -1.68 0.00 0.00 0.00 0.10 -4.99 105.19 98.78 2b98 n GLY 152 Ca -0.02 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.55 2b98 n GLY 152 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77