#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b29 s GLN 4 N 0.00 4.40 0.39 1.61 2.00 -1.26 -4.98 119.66 121.82 2b29 s GLN 4 Ca 0.00 2.14 -0.25 0.00 -2.00 0.00 0.00 55.36 55.25 2b29 s GLN 4 Cb 0.00 -3.11 -0.09 0.00 0.80 0.00 0.00 33.01 30.62 2b29 s GLN 4 CO 0.00 -0.14 1.13 -0.51 -0.50 0.00 0.00 175.29 175.27 2b29 s LEU 5 N -1.48 4.21 -1.43 3.68 1.43 -1.26 -4.73 118.68 119.10 2b29 s LEU 5 Ca 0.50 2.26 -0.14 0.00 -1.03 0.00 0.00 54.13 55.72 2b29 s LEU 5 Cb -0.38 -4.03 0.06 0.00 0.03 0.00 0.00 46.19 41.87 2b29 s LEU 5 CO 0.49 -0.58 2.15 -1.20 0.23 0.00 0.00 176.35 177.44 2b29 n SER 6 N 0.13 4.10 -4.66 2.29 7.64 -0.26 -4.85 113.62 118.02 2b29 n SER 6 Ca 0.04 -2.88 -0.46 0.00 1.01 0.00 0.00 58.87 56.58 2b29 n SER 6 Cb 0.47 -1.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.00 2b29 n SER 6 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2b29 n GLU 7 N 5.88 2.04 -0.18 1.43 1.02 -0.80 -0.67 120.64 129.36 2b29 n GLU 7 Ca 0.50 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 58.37 2b29 n GLU 7 Cb 0.39 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 2b29 n GLU 7 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b29 n GLY 8 N 2.94 0.99 0.19 0.62 0.00 -1.26 -4.94 105.19 103.73 2b29 n GLY 8 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2b29 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b29 h ALA 9 N 0.00 0.54 -0.51 4.61 0.00 -1.23 -0.99 119.26 121.68 2b29 h ALA 9 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2b29 h ALA 9 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2b29 h ALA 9 CO 0.00 0.07 0.22 0.82 0.00 0.00 0.00 179.25 180.37 2b29 h ILE 10 N 0.55 0.90 -0.77 0.00 2.04 -1.92 0.12 117.51 118.43 2b29 h ILE 10 Ca 0.15 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2b29 h ILE 10 Cb 0.06 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 2b29 h ILE 10 CO -0.02 0.08 0.47 0.00 0.00 0.00 0.00 178.15 178.67 2b29 h ALA 11 N 1.30 1.04 -0.21 1.87 0.00 -1.93 0.44 119.26 121.78 2b29 h ALA 11 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2b29 h ALA 11 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2b29 h ALA 11 CO -0.20 0.20 0.07 0.00 0.00 0.00 0.00 179.25 179.32 2b29 h ALA 12 N 1.36 0.27 0.30 0.00 0.00 0.05 0.16 119.26 121.40 2b29 h ALA 12 Ca 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2b29 h ALA 12 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2b29 h ALA 12 CO -0.16 -0.11 -0.24 0.82 0.00 0.00 0.00 179.25 179.56 2b29 h ILE 13 N 0.17 0.50 -0.11 0.00 2.04 -0.41 -1.02 117.51 118.68 2b29 h ILE 13 Ca 0.07 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.74 2b29 h ILE 13 Cb 0.22 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2b29 h ILE 13 CO -0.00 0.00 -0.70 0.24 0.00 0.00 0.00 178.15 177.69 2b29 h MET 14 N -0.54 0.47 0.01 2.37 2.86 -0.77 -3.30 114.93 116.02 2b29 h MET 14 Ca -0.02 -0.36 -0.41 0.00 -2.06 0.00 0.00 59.70 56.85 2b29 h MET 14 Cb 0.48 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.14 2b29 h MET 14 CO -0.01 0.99 -2.37 1.04 1.06 0.00 0.00 176.91 177.62 2b29 n GLN 15 N -3.87 0.62 0.00 1.72 6.02 0.54 -4.63 117.38 117.78 2b29 n GLN 15 Ca -0.04 0.25 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 2b29 n GLN 15 Cb 0.69 -1.54 0.20 0.00 1.02 0.00 0.00 30.24 30.61 2b29 n GLN 15 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2b29 n LYS 16 N -3.83 1.37 -2.09 -1.09 5.02 -0.40 -4.94 118.16 112.20 2b29 n LYS 16 Ca -0.48 -1.01 -0.13 0.00 -2.02 0.00 0.00 58.31 54.67 2b29 n LYS 16 Cb 0.92 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.44 2b29 n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b29 n GLY 17 N 1.35 0.12 3.64 0.72 0.00 -1.16 -4.95 105.19 104.91 2b29 n GLY 17 Ca 0.12 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2b29 n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b29 s ASP 18 N -2.48 6.82 0.00 1.61 -1.08 -1.14 -4.86 116.67 115.54 2b29 s ASP 18 Ca 0.00 1.19 0.03 0.00 -0.52 0.00 0.00 52.55 53.24 2b29 s ASP 18 Cb 0.00 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2b29 s ASP 18 CO 0.00 -0.95 0.78 0.35 0.52 0.00 0.00 175.17 175.87 2b29 n THR 19 N 5.96 0.41 0.11 1.71 -2.24 -1.26 -4.38 114.28 114.59 2b29 n THR 19 Ca 0.13 -0.70 0.06 0.00 -2.27 0.00 0.00 64.05 61.27 2b29 n THR 19 Cb 0.47 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 2b29 n THR 19 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2b29 h ASN 20 N 0.53 0.00 -4.21 3.42 -1.24 -1.96 -3.45 115.58 108.67 2b29 h ASN 20 Ca 0.00 0.00 -0.50 0.00 0.71 0.00 0.00 56.30 56.51 2b29 h ASN 20 Cb 0.30 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.42 2b29 h ASN 20 CO 0.00 0.30 0.38 0.27 -1.29 0.00 0.00 177.43 177.08 2b29 s ILE 21 N -3.11 3.75 -0.60 2.57 -4.36 -1.26 -5.01 121.20 113.18 2b29 s ILE 21 Ca 0.01 0.81 0.06 0.00 -0.26 0.00 0.00 60.65 61.27 2b29 s ILE 21 Cb 0.08 -3.35 0.23 0.00 1.25 0.00 0.00 42.46 40.67 2b29 s ILE 21 CO 0.77 -0.51 0.63 0.29 0.24 0.00 0.00 174.94 176.36 2b29 n LYS 22 N -2.16 1.92 -2.57 0.37 5.02 -1.26 -4.89 118.16 114.58 2b29 n LYS 22 Ca 0.09 -4.29 -0.36 0.00 -2.02 0.00 0.00 58.31 51.73 2b29 n LYS 22 Cb 0.53 -2.05 -0.04 0.00 -0.02 0.00 0.00 35.03 33.44 2b29 n LYS 22 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2b29 s PRO 23 N -1.87 4.18 -0.27 1.97 0.04 -1.23 -4.56 135.00 133.26 2b29 s PRO 23 Ca 0.35 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 2b29 s PRO 23 Cb 0.10 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 2b29 s PRO 23 CO -0.08 -0.12 0.47 0.42 0.04 0.00 0.00 177.00 177.73 2b29 s ILE 24 N -1.69 5.10 0.10 0.56 1.01 -1.26 -1.05 121.20 123.96 2b29 s ILE 24 Ca 0.58 0.73 0.08 0.00 0.00 0.00 0.00 60.65 62.03 2b29 s ILE 24 Cb -0.21 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2b29 s ILE 24 CO 0.26 0.08 -0.20 -0.76 0.00 0.00 0.00 174.94 174.33 2b29 s LEU 25 N 2.24 2.30 -0.07 2.97 1.43 -0.33 -1.10 118.68 126.11 2b29 s LEU 25 Ca 0.19 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 2b29 s LEU 25 Cb -0.16 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 2b29 s LEU 25 CO 0.10 0.03 0.27 -1.58 0.23 0.00 0.00 176.35 175.40 2b29 s GLN 26 N -1.90 3.73 -0.19 1.70 0.74 -0.10 -0.86 119.66 122.77 2b29 s GLN 26 Ca 0.05 0.13 -0.29 0.00 0.05 0.00 0.00 55.36 55.30 2b29 s GLN 26 Cb -0.10 -3.22 -0.00 0.00 1.10 0.00 0.00 33.01 30.79 2b29 s GLN 26 CO 0.04 0.69 1.08 0.08 -0.55 0.00 0.00 175.29 176.64 2b29 s VAL 27 N -0.93 4.61 -0.05 1.34 1.01 -0.14 -0.57 120.40 125.67 2b29 s VAL 27 Ca 0.19 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.95 2b29 s VAL 27 Cb -0.14 -4.24 -0.31 0.00 0.00 0.00 0.00 36.38 31.69 2b29 s VAL 27 CO 0.08 -0.13 0.71 0.40 0.00 0.00 0.00 175.10 176.17 2b29 h ILE 28 N 5.37 1.10 -2.62 2.22 1.08 -0.12 0.55 117.51 125.09 2b29 h ILE 28 Ca -0.23 -2.51 -0.10 0.00 -0.39 0.00 0.00 64.86 61.63 2b29 h ILE 28 Cb 1.09 2.85 -0.20 0.00 -3.07 0.00 0.00 36.82 37.49 2b29 h ILE 28 CO 0.95 0.78 -0.11 0.21 -0.69 0.00 0.00 178.15 179.30 2b29 s ASN 29 N -7.22 -0.40 -0.01 1.72 2.47 -0.95 -4.28 114.94 106.27 2b29 s ASN 29 Ca -0.16 0.48 0.03 0.00 0.42 0.00 0.00 52.86 53.63 2b29 s ASN 29 Cb 0.04 0.54 -0.01 0.00 -1.45 0.00 0.00 41.25 40.37 2b29 s ASN 29 CO 0.84 -0.43 -0.09 -0.51 -3.72 0.00 0.00 177.10 173.18 2b29 s ILE 30 N -0.92 0.74 0.02 -5.21 2.07 -1.26 -1.51 121.20 115.12 2b29 s ILE 30 Ca -0.10 -0.39 -0.16 0.00 -1.41 0.00 0.00 60.65 58.59 2b29 s ILE 30 Cb -0.03 -0.62 0.03 0.00 0.13 0.00 0.00 42.46 41.96 2b29 s ILE 30 CO 0.05 0.21 0.36 0.00 -1.91 0.00 0.00 174.94 173.65 2b29 s ARG 31 N -0.18 0.81 0.28 3.50 1.70 -0.37 -4.93 118.95 119.76 2b29 s ARG 31 Ca 0.03 -0.32 -0.09 0.00 -0.47 0.00 0.00 55.73 54.87 2b29 s ARG 31 Cb -0.04 0.36 -0.07 0.00 -0.57 0.00 0.00 34.95 34.63 2b29 s ARG 31 CO -0.00 -0.25 0.61 -1.25 -1.08 0.00 0.00 175.30 173.32 2b29 s PRO 32 N -2.06 3.78 -0.28 3.89 0.04 -1.26 -0.66 135.00 138.45 2b29 s PRO 32 Ca -0.08 0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.22 2b29 s PRO 32 Cb -0.02 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.97 2b29 s PRO 32 CO 0.00 0.22 -0.01 0.42 0.04 0.00 0.00 177.00 177.68 2b29 s ILE 33 N -1.98 3.18 0.21 0.56 -1.09 0.23 -4.92 121.20 117.38 2b29 s ILE 33 Ca 0.48 -1.07 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2b29 s ILE 33 Cb -0.11 -2.69 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 2b29 s ILE 33 CO 0.24 0.07 0.45 0.42 -1.23 0.00 0.00 174.94 174.88 2b29 s THR 34 N 1.34 5.12 -0.13 2.92 -4.23 -1.26 -1.73 115.64 117.67 2b29 s THR 34 Ca -0.01 -0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.17 2b29 s THR 34 Cb -0.18 -3.68 0.11 0.00 1.34 0.00 0.00 72.50 70.09 2b29 s THR 34 CO -0.02 -0.13 0.91 0.28 -0.54 0.00 0.00 174.62 175.12 2b29 s THR 35 N -1.85 0.00 0.00 3.99 -1.32 -1.26 -5.01 115.64 110.19 2b29 s THR 35 Ca 0.42 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.90 2b29 s THR 35 Cb -0.11 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2b29 s THR 35 CO 0.27 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 2b29 n GLY 36 N 0.79 -0.02 1.24 6.08 0.00 -1.26 -1.84 105.19 110.18 2b29 n GLY 36 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.95 2b29 n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2b29 n ASN 37 N -0.11 3.59 -4.51 1.61 2.85 -1.26 -4.97 115.26 112.46 2b29 n ASN 37 Ca 0.00 -2.45 -0.30 0.00 -0.11 0.00 0.00 54.58 51.72 2b29 n ASN 37 Cb 0.00 -0.55 -0.11 0.00 1.24 0.00 0.00 39.78 40.36 2b29 n ASN 37 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2b29 s SER 38 N -0.59 4.08 0.78 1.20 0.15 -0.77 -5.12 113.70 113.44 2b29 s SER 38 Ca 0.33 -0.41 -0.13 0.00 0.70 0.00 0.00 55.95 56.43 2b29 s SER 38 Cb 0.23 -0.71 0.07 0.00 -1.71 0.00 0.00 66.02 63.90 2b29 s SER 38 CO 0.12 0.22 1.18 -2.16 1.20 0.00 0.00 173.24 173.80 2b29 s PRO 39 N -1.81 1.85 0.87 5.44 0.04 -1.26 -4.56 135.00 135.56 2b29 s PRO 39 Ca 0.18 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 2b29 s PRO 39 Cb -0.11 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.74 2b29 s PRO 39 CO 0.09 -2.03 1.11 -1.25 0.04 0.00 0.00 177.00 174.96 2b29 s PRO 40 N -4.20 1.41 -0.26 0.56 0.04 -1.26 -4.76 135.00 126.53 2b29 s PRO 40 Ca 0.71 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 2b29 s PRO 40 Cb -0.26 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2b29 s PRO 40 CO 0.50 -2.26 0.17 0.50 0.04 0.00 0.00 177.00 175.94 2b29 s ARG 41 N -4.78 3.99 -0.03 4.56 6.06 -0.71 -4.94 118.95 123.11 2b29 s ARG 41 Ca 0.64 -0.30 -0.18 0.00 -2.50 0.00 0.00 55.73 53.39 2b29 s ARG 41 Cb -0.20 -3.58 -0.05 0.00 0.06 0.00 0.00 34.95 31.17 2b29 s ARG 41 CO 0.57 -0.06 0.50 0.71 -2.50 0.00 0.00 175.30 174.52 2b29 s TYR 42 N 1.41 3.66 -0.03 5.12 2.02 -1.26 -0.60 117.35 127.66 2b29 s TYR 42 Ca 0.07 1.05 0.01 0.00 -0.37 0.00 0.00 57.07 57.83 2b29 s TYR 42 Cb -0.15 -2.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.90 2b29 s TYR 42 CO 0.08 0.42 -0.03 1.03 -1.57 0.00 0.00 175.55 175.47 2b29 s ARG 43 N -0.34 2.75 -0.00 -0.62 1.81 0.16 -0.94 118.95 121.76 2b29 s ARG 43 Ca 0.27 -0.60 0.03 0.00 -1.72 0.00 0.00 55.73 53.71 2b29 s ARG 43 Cb -0.17 -2.63 -0.01 0.00 -0.45 0.00 0.00 34.95 31.69 2b29 s ARG 43 CO 0.14 0.64 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.79 2b29 s LEU 44 N -1.26 2.04 -0.28 2.53 1.02 -0.13 -1.24 118.68 121.37 2b29 s LEU 44 Ca 0.16 -0.22 -0.10 0.00 0.02 0.00 0.00 54.13 53.99 2b29 s LEU 44 Cb -0.11 -0.51 -0.04 0.00 0.02 0.00 0.00 46.19 45.55 2b29 s LEU 44 CO 0.06 0.10 0.17 -0.22 0.02 0.00 0.00 176.35 176.48 2b29 s LEU 45 N -0.37 3.95 0.20 1.79 0.20 -0.57 -2.85 118.68 121.03 2b29 s LEU 45 Ca 0.03 -0.11 0.11 0.00 0.69 0.00 0.00 54.13 54.85 2b29 s LEU 45 Cb -0.04 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.59 2b29 s LEU 45 CO -0.00 -0.07 -0.22 -0.04 -0.29 0.00 0.00 176.35 175.73 2b29 s MET 46 N 1.72 1.50 -0.00 1.98 -1.94 -0.48 0.65 119.30 122.72 2b29 s MET 46 Ca 0.07 -1.54 0.06 0.00 -1.71 0.00 0.00 55.69 52.56 2b29 s MET 46 Cb -0.16 -1.74 -0.02 0.00 2.01 0.00 0.00 34.83 34.92 2b29 s MET 46 CO 0.09 0.37 -0.19 0.45 -0.01 0.00 0.00 175.02 175.72 2b29 s SER 47 N -2.80 2.29 -0.05 3.03 0.15 0.27 -1.50 113.70 115.09 2b29 s SER 47 Ca 0.21 -0.38 0.15 0.00 0.70 0.00 0.00 55.95 56.63 2b29 s SER 47 Cb -0.07 -0.24 0.47 0.00 -1.71 0.00 0.00 66.02 64.46 2b29 s SER 47 CO 0.10 0.22 1.39 -0.90 1.20 0.00 0.00 173.24 175.25 2b29 n ASP 48 N 2.45 3.56 0.00 5.45 5.68 -0.42 -0.93 116.55 132.35 2b29 n ASP 48 Ca -0.15 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 2b29 n ASP 48 Cb 0.53 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2b29 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2b29 n GLY 49 N 0.62 3.08 0.14 6.12 0.00 -1.26 -1.91 105.19 111.98 2b29 n GLY 49 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2b29 n GLY 49 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2b29 n LEU 50 N 0.00 1.97 -4.35 0.99 7.94 -1.26 -4.04 117.00 118.25 2b29 n LEU 50 Ca 0.00 0.34 -0.24 0.00 -1.11 0.00 0.00 56.01 55.00 2b29 n LEU 50 Cb 0.00 -0.84 -0.12 0.00 0.53 0.00 0.00 43.42 43.00 2b29 n LEU 50 CO 0.00 0.56 -0.51 0.20 -1.11 0.00 0.00 177.39 176.53 2b29 s ASN 51 N -7.43 2.85 0.15 1.96 0.02 -1.26 -0.66 114.94 110.56 2b29 s ASN 51 Ca -0.38 -0.82 0.04 0.00 -1.02 0.00 0.00 52.86 50.68 2b29 s ASN 51 Cb 0.14 -0.18 -0.04 0.00 0.02 0.00 0.00 41.25 41.19 2b29 s ASN 51 CO 0.50 0.03 0.18 0.42 0.02 0.00 0.00 177.10 178.25 2b29 s THR 52 N -1.70 4.78 -0.09 1.60 -4.23 -0.53 -1.30 115.64 114.17 2b29 s THR 52 Ca 0.15 -0.90 -0.06 0.00 -1.18 0.00 0.00 61.69 59.69 2b29 s THR 52 Cb -0.07 -3.43 0.03 0.00 1.34 0.00 0.00 72.50 70.37 2b29 s THR 52 CO 0.07 -0.07 0.23 -0.22 -0.54 0.00 0.00 174.62 174.09 2b29 s LEU 53 N -3.04 0.78 0.00 4.79 2.96 -0.56 -0.47 118.68 123.13 2b29 s LEU 53 Ca 0.32 0.47 0.24 0.00 -0.22 0.00 0.00 54.13 54.94 2b29 s LEU 53 Cb -0.11 0.72 0.28 0.00 0.50 0.00 0.00 46.19 47.59 2b29 s LEU 53 CO 0.25 -0.12 1.27 -1.54 -1.32 0.00 0.00 176.35 174.88 2b29 n SER 54 N 3.64 1.49 -2.09 3.68 3.41 -1.26 -1.39 113.62 121.09 2b29 n SER 54 Ca -0.19 -1.17 -0.22 0.00 -0.26 0.00 0.00 58.87 57.02 2b29 n SER 54 Cb 0.55 0.39 0.14 0.00 -0.26 0.00 0.00 64.21 65.04 2b29 n SER 54 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2b29 n SER 55 N -0.47 4.18 -4.82 4.04 3.41 -1.26 -4.49 113.62 114.22 2b29 n SER 55 Ca 0.10 -3.43 -0.38 0.00 -0.26 0.00 0.00 58.87 54.89 2b29 n SER 55 Cb 0.40 -0.83 -0.06 0.00 -0.26 0.00 0.00 64.21 63.47 2b29 n SER 55 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2b29 s PHE 56 N -2.94 3.77 0.14 7.33 0.40 -1.13 -0.96 117.98 124.59 2b29 s PHE 56 Ca 0.51 1.16 0.06 0.00 -0.60 0.00 0.00 56.93 58.06 2b29 s PHE 56 Cb 0.42 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 2b29 s PHE 56 CO 0.08 0.61 -0.13 -1.64 0.70 0.00 0.00 175.22 174.84 2b29 s MET 57 N -1.07 1.08 -0.14 0.44 -1.94 0.31 -0.95 119.30 117.02 2b29 s MET 57 Ca 0.27 -1.34 -0.06 0.00 -1.71 0.00 0.00 55.69 52.85 2b29 s MET 57 Cb -0.18 -0.87 -0.04 0.00 2.01 0.00 0.00 34.83 35.75 2b29 s MET 57 CO 0.17 0.15 0.09 -1.17 -0.01 0.00 0.00 175.02 174.25 2b29 s LEU 58 N -2.75 4.05 0.45 -0.03 2.96 -0.12 -0.90 118.68 122.34 2b29 s LEU 58 Ca 0.13 0.28 -0.25 0.00 -0.22 0.00 0.00 54.13 54.06 2b29 s LEU 58 Cb -0.03 -1.99 -0.08 0.00 0.50 0.00 0.00 46.19 44.59 2b29 s LEU 58 CO 0.03 0.32 1.44 0.00 -1.32 0.00 0.00 176.35 176.82 2b29 s ALA 59 N -0.51 3.27 0.53 5.97 0.00 -0.12 -4.54 121.76 126.37 2b29 s ALA 59 Ca 0.11 1.49 0.22 0.00 0.00 0.00 0.00 51.96 53.78 2b29 s ALA 59 Cb -0.12 -3.60 1.38 0.00 0.00 0.00 0.00 23.12 20.78 2b29 s ALA 59 CO 0.02 -1.20 2.07 1.15 0.00 0.00 0.00 175.76 177.80 2b29 h THR 60 N 2.35 0.81 -0.11 0.00 2.02 -1.93 -0.52 112.91 115.53 2b29 h THR 60 Ca -0.51 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.70 2b29 h THR 60 Cb 1.26 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2b29 h THR 60 CO 0.61 0.00 0.17 -0.61 0.37 0.00 0.00 175.52 176.06 2b29 h GLN 61 N 0.00 0.00 -0.02 6.66 4.15 -1.93 -1.03 115.11 122.94 2b29 h GLN 61 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 2b29 h GLN 61 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 2b29 h GLN 61 CO -0.00 0.00 -0.15 1.28 -1.93 0.00 0.00 178.83 178.03 2b29 n LEU 62 N -3.56 2.11 -0.24 -2.39 4.77 -0.20 -4.40 117.00 113.09 2b29 n LEU 62 Ca -0.00 -0.71 0.03 0.00 -0.03 0.00 0.00 56.01 55.30 2b29 n LEU 62 Cb 0.27 -0.02 0.15 0.00 -2.33 0.00 0.00 43.42 41.50 2b29 n LEU 62 CO 0.24 0.36 1.01 0.78 -1.33 0.00 0.00 177.39 178.45 2b29 h ASN 63 N 3.08 0.27 -0.53 -1.43 4.21 -1.26 -1.17 115.58 118.74 2b29 h ASN 63 Ca 0.00 0.09 0.16 0.00 1.21 0.00 0.00 56.30 57.76 2b29 h ASN 63 Cb 0.75 0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 38.00 2b29 h ASN 63 CO 0.00 0.13 0.40 -0.65 -1.29 0.00 0.00 177.43 176.01 2b29 h PRO 64 N 0.44 0.00 -0.21 0.81 0.11 -1.79 -0.04 132.00 131.32 2b29 h PRO 64 Ca 0.37 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.43 2b29 h PRO 64 Cb 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2b29 h PRO 64 CO -0.36 0.00 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.25 2b29 h LEU 65 N 0.00 0.32 -0.00 2.35 3.38 -1.53 -0.56 115.31 119.27 2b29 h LEU 65 Ca 0.25 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2b29 h LEU 65 Cb 1.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2b29 h LEU 65 CO -0.00 0.46 -0.01 0.58 0.09 0.00 0.00 178.44 179.56 2b29 h VAL 66 N 0.32 1.61 -0.47 1.22 2.07 -1.10 -0.55 116.25 119.34 2b29 h VAL 66 Ca 0.06 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 65.85 2b29 h VAL 66 Cb 0.39 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.96 2b29 h VAL 66 CO 0.02 0.47 0.32 -0.33 0.02 0.00 0.00 177.57 178.07 2b29 h GLU 67 N -0.75 0.36 -0.65 1.57 5.08 -0.99 -1.65 114.58 117.55 2b29 h GLU 67 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2b29 h GLU 67 Cb 0.77 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2b29 h GLU 67 CO 0.00 0.24 0.00 0.39 -1.00 0.00 0.00 179.01 178.64 2b29 n GLU 68 N -4.47 3.46 -1.09 2.33 -0.58 -0.24 -4.96 120.64 115.10 2b29 n GLU 68 Ca 0.07 -2.62 -0.03 0.00 -0.42 0.00 0.00 57.16 54.15 2b29 n GLU 68 Cb 0.27 -1.83 -0.01 0.00 -0.57 0.00 0.00 31.44 29.30 2b29 n GLU 68 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2b29 n GLU 69 N 1.06 -0.93 0.01 3.49 1.02 -0.62 -4.89 120.64 119.78 2b29 n GLU 69 Ca 0.24 0.44 -0.18 0.00 -0.02 0.00 0.00 57.16 57.64 2b29 n GLU 69 Cb 0.82 -4.25 -0.11 0.00 -0.02 0.00 0.00 31.44 27.87 2b29 n GLU 69 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2b29 h GLN 70 N 0.35 0.42 -4.46 3.49 1.08 -1.38 -3.41 115.11 111.21 2b29 h GLN 70 Ca -0.06 -0.46 -0.72 0.00 -1.45 0.00 0.00 58.65 55.95 2b29 h GLN 70 Cb 0.56 0.13 -0.22 0.00 -0.05 0.00 0.00 27.48 27.90 2b29 h GLN 70 CO 0.09 1.12 -0.41 -1.17 -0.95 0.00 0.00 178.83 177.51 2b29 s LEU 71 N -8.31 5.21 0.15 1.46 2.96 -0.54 -4.74 118.68 114.88 2b29 s LEU 71 Ca -0.13 -1.04 -0.08 0.00 -0.22 0.00 0.00 54.13 52.66 2b29 s LEU 71 Cb 0.04 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 2b29 s LEU 71 CO 0.83 -0.50 0.25 -0.94 -1.32 0.00 0.00 176.35 174.67 2b29 s SER 72 N 1.92 0.08 0.03 3.68 1.04 -1.26 -4.39 113.70 114.80 2b29 s SER 72 Ca 0.04 -0.87 -0.32 0.00 0.48 0.00 0.00 55.95 55.29 2b29 s SER 72 Cb -0.21 0.41 -0.11 0.00 0.10 0.00 0.00 66.02 66.21 2b29 s SER 72 CO 0.09 -0.85 1.86 -1.20 0.98 0.00 0.00 173.24 174.12 2b29 n SER 73 N -0.18 3.76 0.00 7.02 7.64 -1.26 -1.35 113.62 129.25 2b29 n SER 73 Ca -0.08 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2b29 n SER 73 Cb 0.63 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2b29 n SER 73 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2b29 n ASN 74 N 6.23 0.00 -4.71 6.43 3.02 0.19 -4.83 115.26 121.59 2b29 n ASN 74 Ca 0.20 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.42 2b29 n ASN 74 Cb 0.34 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.64 2b29 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b29 s VAL 76 N -2.34 3.55 0.25 0.00 1.01 -0.42 -0.96 120.40 121.49 2b29 s VAL 76 Ca 0.70 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.28 2b29 s VAL 76 Cb -0.25 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2b29 s VAL 76 CO 0.51 0.50 -0.10 0.00 0.00 0.00 0.00 175.10 176.01 2b29 s GLN 78 N -3.68 3.41 -0.19 0.00 0.74 0.28 -1.19 119.66 119.03 2b29 s GLN 78 Ca 0.27 -0.66 -0.21 0.00 0.05 0.00 0.00 55.36 54.80 2b29 s GLN 78 Cb 0.01 -2.70 -0.03 0.00 1.10 0.00 0.00 33.01 31.39 2b29 s GLN 78 CO 0.10 0.16 0.63 0.42 -0.55 0.00 0.00 175.29 176.05 2b29 s ILE 79 N 0.51 5.03 -0.15 -2.34 -1.09 -0.22 -1.04 121.20 121.89 2b29 s ILE 79 Ca -0.08 1.20 0.18 0.00 -2.23 0.00 0.00 60.65 59.72 2b29 s ILE 79 Cb -0.15 -3.95 -0.25 0.00 -1.58 0.00 0.00 42.46 36.52 2b29 s ILE 79 CO 0.04 0.13 0.26 1.41 -1.23 0.00 0.00 174.94 175.54 2b29 n HIS 80 N 4.92 0.18 -3.69 3.97 8.25 -0.17 -3.47 115.22 125.21 2b29 n HIS 80 Ca -0.01 0.06 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 2b29 n HIS 80 Cb 0.50 -0.94 -0.09 0.00 1.12 0.00 0.00 29.99 30.58 2b29 n HIS 80 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2b29 s ARG 81 N -2.71 0.58 0.12 -0.41 3.52 -0.87 -4.90 118.95 114.28 2b29 s ARG 81 Ca -0.09 0.76 -0.15 0.00 -0.13 0.00 0.00 55.73 56.12 2b29 s ARG 81 Cb 0.08 0.25 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 2b29 s ARG 81 CO 0.84 -0.09 0.36 -0.59 -0.81 0.00 0.00 175.30 175.02 2b29 s PHE 82 N 0.48 -0.14 0.05 5.12 -0.12 -1.26 -0.50 117.98 121.62 2b29 s PHE 82 Ca -0.02 -0.20 0.09 0.00 -0.05 0.00 0.00 56.93 56.75 2b29 s PHE 82 Cb -0.04 0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 2b29 s PHE 82 CO -0.02 -0.67 -0.25 0.42 -0.05 0.00 0.00 175.22 174.64 2b29 s ILE 83 N -3.82 2.04 -0.18 -4.49 1.01 -0.24 -4.93 121.20 110.58 2b29 s ILE 83 Ca 0.03 -1.38 -0.01 0.00 0.00 0.00 0.00 60.65 59.29 2b29 s ILE 83 Cb 0.02 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 2b29 s ILE 83 CO -0.12 0.31 -0.11 -0.69 0.00 0.00 0.00 174.94 174.33 2b29 s VAL 84 N -0.82 2.92 -0.01 2.92 1.01 -1.26 -0.77 120.40 124.39 2b29 s VAL 84 Ca 0.11 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2b29 s VAL 84 Cb -0.10 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2b29 s VAL 84 CO 0.02 0.48 -0.09 0.20 0.00 0.00 0.00 175.10 175.72 2b29 s ASN 85 N 1.10 4.48 -0.28 3.32 0.02 0.01 -4.96 114.94 118.63 2b29 s ASN 85 Ca 0.00 -0.15 -0.12 0.00 -1.02 0.00 0.00 52.86 51.57 2b29 s ASN 85 Cb -0.14 -1.02 -0.05 0.00 0.02 0.00 0.00 41.25 40.06 2b29 s ASN 85 CO -0.03 0.30 0.22 -0.89 0.02 0.00 0.00 177.10 176.72 2b29 s THR 86 N -0.93 5.29 0.98 1.60 2.01 -1.26 -0.91 115.64 122.43 2b29 s THR 86 Ca 0.15 0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 2b29 s THR 86 Cb -0.11 -3.57 0.25 0.00 0.01 0.00 0.00 72.50 69.08 2b29 s THR 86 CO 0.05 0.22 0.85 0.18 -0.69 0.00 0.00 174.62 175.23 2b29 n LEU 87 N 5.11 0.00 -0.07 4.42 4.77 0.14 -4.91 117.00 126.47 2b29 n LEU 87 Ca -0.13 -0.90 -0.10 0.00 -0.03 0.00 0.00 56.01 54.85 2b29 n LEU 87 Cb 0.52 -0.79 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 2b29 n LEU 87 CO 0.34 -1.97 0.21 0.50 -1.33 0.00 0.00 177.39 175.14 2b29 h LYS 88 N 0.00 0.00 -0.07 3.23 3.64 -1.99 -3.00 116.57 118.38 2b29 h LYS 88 Ca -0.32 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.08 2b29 h LYS 88 Cb 1.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2b29 h LYS 88 CO 0.21 0.67 0.01 -0.25 -2.27 0.00 0.00 179.45 177.82 2b29 n ASP 89 N -4.65 -0.00 0.00 4.20 8.00 -1.26 -4.83 116.55 118.00 2b29 n ASP 89 Ca -0.08 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2b29 n ASP 89 Cb 0.34 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2b29 n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b29 n GLY 90 N -1.03 3.01 3.78 0.44 0.00 -1.13 -5.08 105.19 105.17 2b29 n GLY 90 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2b29 n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2b29 s ARG 91 N -0.61 4.13 0.08 1.61 3.52 -1.26 -4.52 118.95 121.89 2b29 s ARG 91 Ca 0.00 2.51 -0.01 0.00 -0.13 0.00 0.00 55.73 58.10 2b29 s ARG 91 Cb 0.00 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 2b29 s ARG 91 CO 0.00 -0.49 0.24 1.03 -0.81 0.00 0.00 175.30 175.27 2b29 s ARG 92 N -2.07 3.47 0.02 5.12 0.52 -1.26 -0.68 118.95 124.08 2b29 s ARG 92 Ca 0.53 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 55.37 2b29 s ARG 92 Cb -0.45 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 2b29 s ARG 92 CO 0.61 0.58 -0.06 0.14 0.02 0.00 0.00 175.30 176.59 2b29 s VAL 93 N -1.55 0.42 -0.16 3.52 -7.23 -0.08 -4.85 120.40 110.46 2b29 s VAL 93 Ca 0.36 -0.75 -0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2b29 s VAL 93 Cb -0.13 -0.45 -0.00 0.00 0.56 0.00 0.00 36.38 36.35 2b29 s VAL 93 CO 0.27 -0.23 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.01 2b29 s VAL 94 N -0.95 2.82 -0.24 1.32 1.01 -0.14 -0.81 120.40 123.42 2b29 s VAL 94 Ca -0.07 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 2b29 s VAL 94 Cb -0.07 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2b29 s VAL 94 CO 0.00 0.50 0.05 -0.63 0.00 0.00 0.00 175.10 175.02 2b29 s ILE 95 N 0.84 4.15 -0.35 2.22 1.09 0.05 -0.53 121.20 128.67 2b29 s ILE 95 Ca -0.04 -0.23 -0.27 0.00 -1.10 0.00 0.00 60.65 59.01 2b29 s ILE 95 Cb -0.15 -2.93 0.02 0.00 -1.06 0.00 0.00 42.46 38.34 2b29 s ILE 95 CO -0.00 0.36 0.99 -0.76 -0.10 0.00 0.00 174.94 175.43 2b29 s LEU 96 N 1.49 3.95 -0.22 2.97 1.43 -0.08 -1.08 118.68 127.14 2b29 s LEU 96 Ca 0.06 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2b29 s LEU 96 Cb -0.15 -3.38 -0.20 0.00 0.03 0.00 0.00 46.19 42.49 2b29 s LEU 96 CO 0.02 -0.87 -0.05 0.23 0.23 0.00 0.00 176.35 175.91 2b29 n MET 97 N 6.84 0.68 -3.95 1.70 2.81 0.34 -0.94 117.12 124.61 2b29 n MET 97 Ca 0.09 0.18 -0.14 0.00 -1.81 0.00 0.00 57.70 56.02 2b29 n MET 97 Cb 0.48 -1.58 -0.15 0.00 -0.71 0.00 0.00 33.22 31.26 2b29 n MET 97 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2b29 s GLU 98 N -2.53 0.17 0.18 0.03 2.02 -0.77 -4.85 118.70 112.95 2b29 s GLU 98 Ca -0.31 -0.02 -0.19 0.00 0.02 0.00 0.00 54.97 54.47 2b29 s GLU 98 Cb 0.08 -0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.12 2b29 s GLU 98 CO 0.65 -0.01 0.54 -0.48 0.02 0.00 0.00 175.26 175.98 2b29 s LEU 99 N 0.27 -0.05 -0.00 1.80 0.05 -1.26 -1.00 118.68 118.49 2b29 s LEU 99 Ca -0.02 -0.36 0.04 0.00 0.05 0.00 0.00 54.13 53.84 2b29 s LEU 99 Cb -0.05 2.25 -0.01 0.00 -2.05 0.00 0.00 46.19 46.34 2b29 s LEU 99 CO -0.01 -1.03 -0.12 -1.83 -0.55 0.00 0.00 176.35 172.81 2b29 s GLU 100 N -3.84 0.97 -0.13 1.48 -1.05 -0.21 -4.92 118.70 111.01 2b29 s GLU 100 Ca 0.07 -0.46 -0.29 0.00 -0.15 0.00 0.00 54.97 54.13 2b29 s GLU 100 Cb -0.01 -0.94 -0.01 0.00 -0.44 0.00 0.00 34.13 32.73 2b29 s GLU 100 CO -0.06 0.26 0.99 0.08 0.95 0.00 0.00 175.26 177.48 2b29 s VAL 101 N -0.34 4.78 -0.10 1.83 1.01 -1.26 -0.55 120.40 125.76 2b29 s VAL 101 Ca 0.04 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 2b29 s VAL 101 Cb -0.05 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.79 2b29 s VAL 101 CO -0.00 -0.02 0.43 0.18 0.00 0.00 0.00 175.10 175.69 2b29 n LEU 102 N 5.21 2.17 -3.71 3.92 4.77 0.42 -4.93 117.00 124.84 2b29 n LEU 102 Ca 0.09 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 2b29 n LEU 102 Cb 0.48 -0.77 -0.11 0.00 -2.33 0.00 0.00 43.42 40.69 2b29 n LEU 102 CO 0.51 0.73 0.00 -0.75 -1.33 0.00 0.00 177.39 176.56 2b29 s LYS 103 N -2.57 0.35 0.84 3.23 2.20 -0.98 -4.89 119.74 117.91 2b29 s LYS 103 Ca -0.18 0.68 -0.13 0.00 -0.36 0.00 0.00 55.97 55.98 2b29 s LYS 103 Cb 0.07 -0.02 0.06 0.00 -1.51 0.00 0.00 37.83 36.44 2b29 s LYS 103 CO 0.78 -0.14 0.94 -1.13 -0.36 0.00 0.00 175.35 175.44 2b29 n SER 104 N 4.06 0.01 0.13 1.43 3.41 -1.26 -1.30 113.62 120.11 2b29 n SER 104 Ca -0.22 0.52 0.16 0.00 -0.26 0.00 0.00 58.87 59.06 2b29 n SER 104 Cb 0.55 -1.40 0.71 0.00 -0.26 0.00 0.00 64.21 63.81 2b29 n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b29 h ALA 105 N -1.09 2.16 0.07 7.33 0.00 -1.84 -2.89 119.26 123.00 2b29 h ALA 105 Ca -0.45 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 2b29 h ALA 105 Cb 1.30 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.12 2b29 h ALA 105 CO 0.42 -0.36 -1.11 0.93 0.00 0.00 0.00 179.25 179.14 2b29 h GLU 106 N 0.00 0.39 0.00 0.00 3.07 -1.91 -3.15 114.58 112.98 2b29 h GLU 106 Ca 0.13 -0.52 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 2b29 h GLU 106 Cb 0.57 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 2b29 h GLU 106 CO -0.00 1.19 0.03 0.00 -1.40 0.00 0.00 179.01 178.83 2b29 n ALA 107 N -2.56 1.00 -2.73 3.43 0.00 -1.09 -4.62 120.51 113.94 2b29 n ALA 107 Ca -0.09 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 2b29 n ALA 107 Cb 0.93 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 2b29 n ALA 107 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2b29 s VAL 108 N -3.54 0.15 -0.44 0.00 1.01 -1.19 -5.07 120.40 111.33 2b29 s VAL 108 Ca -0.02 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 60.61 2b29 s VAL 108 Cb 0.06 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.85 2b29 s VAL 108 CO 0.19 -0.64 0.52 -0.83 0.00 0.00 0.00 175.10 174.34 2b29 s GLY 109 N -1.87 1.83 0.00 4.51 0.00 -1.26 -4.88 107.32 105.65 2b29 s GLY 109 Ca -0.10 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.14 2b29 s GLY 109 CO -0.03 1.30 0.00 -0.62 0.00 0.00 0.00 173.10 173.75 2b29 n VAL 110 N 5.57 0.00 -1.76 1.40 0.31 -1.26 -4.76 118.33 117.82 2b29 n VAL 110 Ca -0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.86 2b29 n VAL 110 Cb 0.47 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.39 2b29 n VAL 110 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2b29 n LYS 111 N -0.36 2.72 -2.80 5.55 4.81 -1.26 -4.92 118.16 121.89 2b29 n LYS 111 Ca 0.00 0.96 -0.41 0.00 -0.87 0.00 0.00 58.31 57.99 2b29 n LYS 111 Cb 0.00 -2.72 -0.04 0.00 0.02 0.00 0.00 35.03 32.29 2b29 n LYS 111 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2b29 s ILE 112 N -0.56 4.82 0.00 3.15 1.01 -1.26 -4.97 121.20 123.39 2b29 s ILE 112 Ca 0.58 1.91 0.00 0.00 0.00 0.00 0.00 60.65 63.14 2b29 s ILE 112 Cb -0.48 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 37.74 2b29 s ILE 112 CO 0.56 0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.34 2b29 n GLY 113 N 2.76 0.66 2.24 6.18 0.00 -1.26 -4.46 105.19 111.32 2b29 n GLY 113 Ca 0.03 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 2b29 n GLY 113 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2b29 n ASN 114 N -2.40 0.86 -4.68 1.61 5.15 -1.26 -5.12 115.26 109.42 2b29 n ASN 114 Ca 0.00 -2.90 -0.39 0.00 -0.60 0.00 0.00 54.58 50.69 2b29 n ASN 114 Cb 0.00 -0.63 0.04 0.00 -0.53 0.00 0.00 39.78 38.66 2b29 n ASN 114 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2b29 n PRO 115 N 0.92 1.41 -3.94 1.20 -0.04 -1.26 -4.97 135.00 128.32 2b29 n PRO 115 Ca 0.23 0.52 -0.36 0.00 -0.04 0.00 0.00 63.50 63.86 2b29 n PRO 115 Cb 0.56 -2.37 -0.08 0.00 -0.04 0.00 0.00 33.50 31.57 2b29 n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2b29 s VAL 116 N -1.35 5.19 0.15 0.52 1.01 0.16 -4.62 120.40 121.46 2b29 s VAL 116 Ca 0.71 0.10 -0.34 0.00 0.00 0.00 0.00 61.98 62.45 2b29 s VAL 116 Cb -0.44 -3.29 -0.15 0.00 0.00 0.00 0.00 36.38 32.50 2b29 s VAL 116 CO 0.50 0.55 1.34 -2.65 0.00 0.00 0.00 175.10 174.84 2b29 n PRO 117 N 2.62 1.50 -2.16 2.72 -0.02 -1.26 -1.45 135.00 136.95 2b29 n PRO 117 Ca -0.18 0.54 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 2b29 n PRO 117 Cb 0.54 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 2b29 n PRO 117 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2b29 s TYR 118 N 0.27 3.25 -0.21 6.00 5.04 0.38 -4.80 117.35 127.27 2b29 s TYR 118 Ca 0.77 1.47 -0.04 0.00 -2.44 0.00 0.00 57.07 56.83 2b29 s TYR 118 Cb -0.82 -2.88 0.08 0.00 0.35 0.00 0.00 41.96 38.69 2b29 s TYR 118 CO 0.47 -0.76 0.14 -0.80 -1.34 0.00 0.00 175.55 173.26 2b29 s ASN 119 N -3.07 2.38 0.00 4.32 0.01 -1.26 -4.96 114.94 112.35 2b29 s ASN 119 Ca 0.61 -0.70 0.00 0.00 -0.71 0.00 0.00 52.86 52.06 2b29 s ASN 119 Cb -0.13 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.44 2b29 s ASN 119 CO 0.37 -0.37 0.00 -0.62 -1.51 0.00 0.00 177.10 174.97