#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p25 n PHE 3 N 0.00 0.27 0.23 1.38 3.72 -1.26 -4.70 117.46 117.09 2p25 n PHE 3 Ca 0.00 -1.21 0.12 0.00 -0.05 0.00 0.00 57.45 56.32 2p25 n PHE 3 Cb 0.00 -0.25 0.25 0.00 -0.94 0.00 0.00 39.48 38.54 2p25 n PHE 3 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 2p25 h LYS 4 N 0.67 0.00 -4.71 -1.08 2.10 -2.10 -3.45 116.57 108.00 2p25 h LYS 4 Ca 0.03 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.09 2p25 h LYS 4 Cb 1.15 0.00 -0.35 0.00 -0.90 0.00 0.00 32.23 32.13 2p25 h LYS 4 CO 0.08 0.02 -0.83 -2.00 -2.00 0.00 0.00 179.45 174.72 2p25 s GLU 5 N -3.28 2.23 -0.08 0.07 2.12 -1.26 -5.11 118.70 113.38 2p25 s GLU 5 Ca 0.06 -0.55 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 2p25 s GLU 5 Cb 0.06 -1.95 -0.02 0.00 0.26 0.00 0.00 34.13 32.48 2p25 s GLU 5 CO 0.65 -0.12 1.07 0.42 -0.54 0.00 0.00 175.26 176.73 2p25 s ILE 6 N 1.17 4.62 -0.08 -3.70 1.01 -1.26 -4.95 121.20 118.01 2p25 s ILE 6 Ca -0.02 1.90 -0.25 0.00 0.00 0.00 0.00 60.65 62.27 2p25 s ILE 6 Cb -0.14 -4.22 -0.27 0.00 0.01 0.00 0.00 42.46 37.84 2p25 s ILE 6 CO -0.05 0.01 0.90 -0.74 0.00 0.00 0.00 174.94 175.07 2p25 h HIS 7 N 7.18 0.26 -2.34 3.97 -0.00 -1.96 -3.47 115.15 118.79 2p25 h HIS 7 Ca -0.33 -0.17 0.17 0.00 -0.00 0.00 0.00 60.37 60.04 2p25 h HIS 7 Cb 1.16 -0.02 -0.09 0.00 -0.00 0.00 0.00 27.41 28.46 2p25 h HIS 7 CO 0.71 1.07 0.48 -3.38 -0.00 0.00 0.00 177.93 176.82 2p25 s HIS 8 N -2.62 -0.15 -0.06 5.26 0.00 -1.26 -4.11 115.29 112.35 2p25 s HIS 8 Ca -0.16 -0.14 0.06 0.00 -3.00 0.00 0.00 55.06 51.81 2p25 s HIS 8 Cb -0.00 0.63 -0.01 0.00 -4.00 0.00 0.00 32.58 29.19 2p25 s HIS 8 CO 0.75 -0.80 -0.23 0.08 -1.00 0.00 0.00 174.74 173.54 2p25 s VAL 9 N -3.27 2.28 -0.04 -5.38 1.01 -1.01 -5.00 120.40 108.99 2p25 s VAL 9 Ca 0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2p25 s VAL 9 Cb -0.01 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2p25 s VAL 9 CO 0.01 0.57 0.05 0.00 0.00 0.00 0.00 175.10 175.73 2p25 s ALA 10 N -0.27 3.48 0.01 5.51 0.00 -1.26 -1.12 121.76 128.11 2p25 s ALA 10 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.16 2p25 s ALA 10 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 2p25 s ALA 10 CO 0.03 0.64 -0.10 0.42 0.00 0.00 0.00 175.76 176.75 2p25 s ILE 11 N -1.07 0.82 -0.22 0.00 1.01 0.60 -4.95 121.20 117.39 2p25 s ILE 11 Ca 0.19 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 2p25 s ILE 11 Cb -0.12 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 2p25 s ILE 11 CO 0.09 0.08 0.12 0.20 0.00 0.00 0.00 174.94 175.42 2p25 s ASN 12 N -0.65 5.83 0.19 3.58 0.01 -1.26 -0.66 114.94 121.98 2p25 s ASN 12 Ca 0.01 0.06 0.07 0.00 -0.71 0.00 0.00 52.86 52.30 2p25 s ASN 12 Cb -0.06 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 2p25 s ASN 12 CO 0.00 0.09 -0.14 0.00 -1.51 0.00 0.00 177.10 175.54 2p25 s ALA 13 N 0.91 1.90 -0.13 0.60 0.00 0.03 -4.96 121.76 120.11 2p25 s ALA 13 Ca 0.06 -1.58 0.16 0.00 0.00 0.00 0.00 51.96 50.60 2p25 s ALA 13 Cb -0.13 -0.08 -0.24 0.00 0.00 0.00 0.00 23.12 22.67 2p25 s ALA 13 CO 0.03 0.07 0.35 -1.13 0.00 0.00 0.00 175.76 175.08 2p25 n SER 14 N -0.19 0.35 -3.85 0.00 3.41 -1.26 -1.24 113.62 110.84 2p25 n SER 14 Ca -0.10 0.16 -0.17 0.00 -0.26 0.00 0.00 58.87 58.50 2p25 n SER 14 Cb 0.60 0.66 -0.16 0.00 -0.26 0.00 0.00 64.21 65.04 2p25 n SER 14 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2p25 s ASN 15 N -5.64 0.51 0.02 4.04 3.84 -1.26 -3.96 114.94 112.49 2p25 s ASN 15 Ca -0.08 -0.05 -0.25 0.00 0.21 0.00 0.00 52.86 52.69 2p25 s ASN 15 Cb 0.07 -0.25 -0.18 0.00 -0.55 0.00 0.00 41.25 40.35 2p25 s ASN 15 CO 0.83 -0.07 1.39 0.22 -2.79 0.00 0.00 177.10 176.68 2p25 h TYR 16 N 7.10 -0.13 -0.50 0.43 3.20 -1.95 -2.09 116.97 123.03 2p25 h TYR 16 Ca -0.40 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.40 2p25 h TYR 16 Cb 1.14 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 2p25 h TYR 16 CO 0.49 0.18 0.05 0.37 -1.64 0.00 0.00 178.16 177.61 2p25 h GLN 17 N -0.44 0.79 -0.91 1.82 5.75 -2.00 -1.57 115.11 118.55 2p25 h GLN 17 Ca -0.01 -0.19 0.03 0.00 -0.15 0.00 0.00 58.65 58.33 2p25 h GLN 17 Cb 0.37 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.76 2p25 h GLN 17 CO 0.02 0.77 0.59 0.00 -2.65 0.00 0.00 178.83 177.56 2p25 h ALA 18 N 1.30 1.19 -0.19 3.38 0.00 -1.98 -0.64 119.26 122.33 2p25 h ALA 18 Ca 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2p25 h ALA 18 Cb 0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2p25 h ALA 18 CO 0.01 0.48 -0.07 1.15 0.00 0.00 0.00 179.25 180.82 2p25 h THR 19 N 1.17 1.30 -0.50 0.00 2.02 -0.71 -1.30 112.91 114.89 2p25 h THR 19 Ca 0.36 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 2p25 h THR 19 Cb -0.03 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2p25 h THR 19 CO -0.11 0.33 0.16 0.11 0.37 0.00 0.00 175.52 176.38 2p25 h LYS 20 N 0.08 0.77 -0.71 6.66 1.79 -1.14 -0.13 116.57 123.88 2p25 h LYS 20 Ca 0.04 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2p25 h LYS 20 Cb 0.54 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 2p25 h LYS 20 CO 0.02 0.72 0.44 -0.97 -1.08 0.00 0.00 179.45 178.58 2p25 h ASN 21 N 0.67 0.84 0.00 0.86 -1.24 -1.00 -0.40 115.58 115.31 2p25 h ASN 21 Ca 0.16 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2p25 h ASN 21 Cb 0.26 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.10 2p25 h ASN 21 CO -0.01 0.65 -0.06 0.15 -1.29 0.00 0.00 177.43 176.87 2p25 h PHE 22 N 0.97 0.00 -0.07 0.67 3.57 -1.11 -2.34 116.94 118.62 2p25 h PHE 22 Ca 0.26 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.52 2p25 h PHE 22 Cb -0.05 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.70 2p25 h PHE 22 CO -0.01 0.00 -0.89 1.88 -2.23 0.00 0.00 178.31 177.05 2p25 h TYR 23 N -0.95 1.04 0.00 0.41 0.05 -1.12 -1.31 116.97 115.09 2p25 h TYR 23 Ca 0.00 -0.51 -0.04 0.00 0.05 0.00 0.00 58.73 58.23 2p25 h TYR 23 Cb 0.06 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 2p25 h TYR 23 CO -0.03 1.35 -0.37 0.28 -1.05 0.00 0.00 178.16 178.34 2p25 h VAL 24 N 0.44 0.39 -0.23 -2.88 2.07 -1.50 -1.77 116.25 112.77 2p25 h VAL 24 Ca -0.09 -1.36 -0.16 0.00 0.82 0.00 0.00 66.70 65.90 2p25 h VAL 24 Cb 1.54 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2p25 h VAL 24 CO 0.18 0.13 -0.50 -0.33 0.02 0.00 0.00 177.57 177.07 2p25 h GLU 25 N -1.00 0.74 0.00 1.57 4.39 -1.07 -2.40 114.58 116.81 2p25 h GLU 25 Ca -0.05 -0.49 -0.21 0.00 0.34 0.00 0.00 59.36 58.94 2p25 h GLU 25 Cb 0.52 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2p25 h GLU 25 CO -0.03 1.11 -1.27 1.63 -1.16 0.00 0.00 179.01 179.29 2p25 n LYS 26 N -4.12 0.55 0.15 2.33 5.02 -0.89 -4.30 118.16 116.90 2p25 n LYS 26 Ca -0.06 0.53 0.13 0.00 -2.02 0.00 0.00 58.31 56.89 2p25 n LYS 26 Cb 0.60 -1.70 0.43 0.00 -0.02 0.00 0.00 35.03 34.33 2p25 n LYS 26 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2p25 h LEU 27 N -1.00 0.00 0.00 -0.35 4.07 -1.31 -3.47 115.31 113.24 2p25 h LEU 27 Ca -0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.64 2p25 h LEU 27 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2p25 h LEU 27 CO -0.19 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.78 2p25 n GLY 28 N 0.75 0.39 3.77 0.83 0.00 -0.91 -4.99 105.19 105.03 2p25 n GLY 28 Ca 0.04 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 2p25 n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p25 s PHE 29 N -2.00 2.76 0.06 1.61 0.08 -0.68 -4.87 117.98 114.94 2p25 s PHE 29 Ca 0.00 1.53 0.01 0.00 0.12 0.00 0.00 56.93 58.59 2p25 s PHE 29 Cb 0.00 -3.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.02 2p25 s PHE 29 CO 0.00 -1.65 0.14 -1.21 -0.10 0.00 0.00 175.22 172.40 2p25 s GLU 30 N -2.90 3.15 0.00 0.44 2.02 -0.08 -4.37 118.70 116.96 2p25 s GLU 30 Ca 0.67 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.80 2p25 s GLU 30 Cb -0.28 -2.88 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 2p25 s GLU 30 CO 0.33 0.59 1.32 0.08 0.02 0.00 0.00 175.26 177.60 2p25 s VAL 31 N -1.43 3.87 -0.22 2.63 1.01 -1.26 -0.73 120.40 124.27 2p25 s VAL 31 Ca 0.31 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 2p25 s VAL 31 Cb -0.13 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.28 2p25 s VAL 31 CO 0.24 0.02 0.05 -0.11 0.00 0.00 0.00 175.10 175.30 2p25 n LEU 32 N 4.98 1.88 -3.72 3.92 7.94 0.71 -4.87 117.00 127.84 2p25 n LEU 32 Ca 0.12 0.41 -0.12 0.00 -1.11 0.00 0.00 56.01 55.31 2p25 n LEU 32 Cb 0.45 -0.92 -0.07 0.00 0.53 0.00 0.00 43.42 43.40 2p25 n LEU 32 CO 0.57 0.30 0.07 0.00 -1.11 0.00 0.00 177.39 177.22 2p25 s ARG 33 N -2.40 0.83 -0.03 1.96 1.70 -0.95 -5.00 118.95 115.06 2p25 s ARG 33 Ca -0.30 -0.39 -0.01 0.00 -0.47 0.00 0.00 55.73 54.56 2p25 s ARG 33 Cb 0.08 0.36 0.03 0.00 -0.57 0.00 0.00 34.95 34.85 2p25 s ARG 33 CO 0.54 -0.27 0.04 -2.00 -1.08 0.00 0.00 175.30 172.54 2p25 s GLU 34 N -2.29 -0.05 -0.06 3.89 2.12 -1.26 -0.75 118.70 120.30 2p25 s GLU 34 Ca -0.07 0.24 -0.07 0.00 0.36 0.00 0.00 54.97 55.43 2p25 s GLU 34 Cb -0.02 -0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.06 2p25 s GLU 34 CO -0.01 -0.22 0.20 -0.80 -0.54 0.00 0.00 175.26 173.89 2p25 s ASN 35 N 1.40 -0.18 -0.21 -1.70 0.01 -0.54 -5.01 114.94 108.72 2p25 s ASN 35 Ca -0.05 0.31 -0.13 0.00 -0.71 0.00 0.00 52.86 52.28 2p25 s ASN 35 Cb -0.13 0.38 -0.04 0.00 0.41 0.00 0.00 41.25 41.87 2p25 s ASN 35 CO -0.03 -0.13 0.27 -1.00 -1.51 0.00 0.00 177.10 174.70 2p25 s HIS 36 N -0.17 3.36 -0.58 2.20 3.76 -1.26 -0.58 115.29 122.03 2p25 s HIS 36 Ca -0.03 0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 55.20 2p25 s HIS 36 Cb -0.02 -2.38 0.15 0.00 1.11 0.00 0.00 32.58 31.43 2p25 s HIS 36 CO 0.01 0.06 0.48 1.03 -0.85 0.00 0.00 174.74 175.46 2p25 s ARG 37 N 1.08 2.83 0.29 1.40 0.52 -0.25 -4.94 118.95 119.88 2p25 s ARG 37 Ca 0.13 -1.97 -0.02 0.00 -0.52 0.00 0.00 55.73 53.35 2p25 s ARG 37 Cb -0.14 -4.10 0.43 0.00 0.52 0.00 0.00 34.95 31.66 2p25 s ARG 37 CO 0.06 -1.25 1.92 -1.00 0.02 0.00 0.00 175.30 175.05 2p25 h PRO 38 N 8.27 1.02 -0.12 3.54 0.13 -1.96 -0.43 132.00 142.45 2p25 h PRO 38 Ca -0.15 -0.10 0.03 0.00 -0.87 0.00 0.00 66.00 64.91 2p25 h PRO 38 Cb 1.06 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2p25 h PRO 38 CO 0.87 0.73 0.12 1.49 -0.23 0.00 0.00 178.00 180.98 2p25 h GLU 39 N 1.03 0.00 -0.00 0.86 4.57 -1.95 -3.39 114.58 115.69 2p25 h GLU 39 Ca 0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2p25 h GLU 39 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2p25 h GLU 39 CO -0.05 0.00 -0.55 1.63 -1.18 0.00 0.00 179.01 178.86 2p25 n LYS 40 N -3.97 1.89 -3.47 1.92 5.02 -0.20 -4.97 118.16 114.38 2p25 n LYS 40 Ca -0.00 -0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 55.53 2p25 n LYS 40 Cb 0.23 -1.23 -0.10 0.00 -0.02 0.00 0.00 35.03 33.90 2p25 n LYS 40 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2p25 s ASN 41 N -2.20 6.10 0.26 4.39 4.22 -1.26 -5.06 114.94 121.40 2p25 s ASN 41 Ca 0.09 -0.80 -0.01 0.00 -2.14 0.00 0.00 52.86 50.00 2p25 s ASN 41 Cb 0.12 -2.16 0.00 0.00 1.28 0.00 0.00 41.25 40.50 2p25 s ASN 41 CO 0.53 -0.41 0.35 -0.90 -2.04 0.00 0.00 177.10 174.63 2p25 n ASP 42 N 5.16 -0.97 -4.31 3.54 5.68 -1.05 -4.82 116.55 119.77 2p25 n ASP 42 Ca -0.11 -2.43 -0.32 0.00 -0.50 0.00 0.00 54.79 51.42 2p25 n ASP 42 Cb 0.48 1.84 -0.16 0.00 -1.14 0.00 0.00 41.12 42.14 2p25 n ASP 42 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2p25 s ILE 43 N -2.74 2.41 -0.31 2.12 1.01 -0.78 -1.09 121.20 121.81 2p25 s ILE 43 Ca 0.22 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 2p25 s ILE 43 Cb -0.01 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.56 2p25 s ILE 43 CO 0.16 0.56 0.11 -0.75 0.00 0.00 0.00 174.94 175.02 2p25 s LYS 44 N -0.03 2.99 -0.27 2.79 2.20 0.26 -0.44 119.74 127.24 2p25 s LYS 44 Ca -0.06 -0.93 -0.02 0.00 -0.36 0.00 0.00 55.97 54.59 2p25 s LYS 44 Cb -0.15 -3.45 0.03 0.00 -1.51 0.00 0.00 37.83 32.76 2p25 s LYS 44 CO 0.05 -0.51 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.32 2p25 s LEU 45 N 1.50 3.48 -0.20 5.43 2.96 0.47 -1.46 118.68 130.86 2p25 s LEU 45 Ca 0.02 -1.00 -0.12 0.00 -0.22 0.00 0.00 54.13 52.81 2p25 s LEU 45 Cb -0.18 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2p25 s LEU 45 CO 0.03 -0.18 0.23 -1.81 -1.32 0.00 0.00 176.35 173.31 2p25 s ASP 46 N 1.31 6.30 0.11 3.68 1.01 0.07 0.27 116.67 129.41 2p25 s ASP 46 Ca -0.02 0.34 0.09 0.00 0.71 0.00 0.00 52.55 53.67 2p25 s ASP 46 Cb -0.18 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 2p25 s ASP 46 CO -0.03 0.09 -0.23 -0.76 0.21 0.00 0.00 175.17 174.46 2p25 s LEU 47 N 0.69 2.30 -0.05 1.23 1.43 0.12 -0.21 118.68 124.19 2p25 s LEU 47 Ca 0.12 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 2p25 s LEU 47 Cb -0.13 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.13 2p25 s LEU 47 CO 0.03 0.09 -0.08 -0.75 0.23 0.00 0.00 176.35 175.87 2p25 s LYS 48 N -1.93 1.19 -0.12 1.70 2.47 0.09 -0.52 119.74 122.63 2p25 s LYS 48 Ca 0.08 -0.24 -0.01 0.00 -1.56 0.00 0.00 55.97 54.25 2p25 s LYS 48 Cb -0.10 -1.06 0.03 0.00 -1.46 0.00 0.00 37.83 35.24 2p25 s LYS 48 CO 0.05 -0.03 -0.04 -1.17 0.16 0.00 0.00 175.35 174.32 2p25 s LEU 49 N 0.77 1.08 0.00 5.43 2.96 -0.83 -0.90 118.68 127.19 2p25 s LEU 49 Ca -0.13 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 2p25 s LEU 49 Cb -0.15 -0.71 0.00 0.00 0.50 0.00 0.00 46.19 45.83 2p25 s LEU 49 CO 0.02 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 2p25 n GLY 50 N 5.00 2.73 0.32 7.98 0.00 -1.26 -1.77 105.19 118.19 2p25 n GLY 50 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.96 2p25 n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2p25 n SER 51 N 9.87 1.72 -4.76 1.61 3.41 -1.26 -4.98 113.62 119.23 2p25 n SER 51 Ca 0.00 -1.37 -0.40 0.00 -0.26 0.00 0.00 58.87 56.84 2p25 n SER 51 Cb 0.00 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 2p25 n SER 51 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2p25 s GLN 52 N -0.68 4.69 -0.02 4.33 0.74 -0.73 -5.04 119.66 122.95 2p25 s GLN 52 Ca 0.10 1.30 0.05 0.00 0.05 0.00 0.00 55.36 56.86 2p25 s GLN 52 Cb 0.07 -3.27 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 2p25 s GLN 52 CO 0.10 0.53 -0.18 -2.00 -0.55 0.00 0.00 175.29 173.19 2p25 s GLU 53 N -1.10 1.56 -0.11 1.67 2.12 -1.26 -1.96 118.70 119.62 2p25 s GLU 53 Ca 0.38 -0.65 0.01 0.00 0.36 0.00 0.00 54.97 55.08 2p25 s GLU 53 Cb -0.24 -1.47 0.02 0.00 0.26 0.00 0.00 34.13 32.69 2p25 s GLU 53 CO 0.29 0.36 -0.14 -1.17 -0.54 0.00 0.00 175.26 174.06 2p25 s LEU 54 N -0.33 1.66 -0.24 2.70 2.96 0.32 -2.40 118.68 123.35 2p25 s LEU 54 Ca 0.05 -0.40 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 2p25 s LEU 54 Cb -0.08 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 2p25 s LEU 54 CO -0.00 0.00 0.05 -0.70 -1.32 0.00 0.00 176.35 174.38 2p25 s GLU 55 N 1.05 3.62 -0.15 1.98 2.12 -0.27 0.14 118.70 127.18 2p25 s GLU 55 Ca -0.06 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 54.78 2p25 s GLU 55 Cb -0.15 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 30.99 2p25 s GLU 55 CO -0.02 -0.16 -0.17 0.42 -0.54 0.00 0.00 175.26 174.79 2p25 s ILE 56 N 1.51 2.49 -0.24 -3.70 1.01 0.14 -0.29 121.20 122.12 2p25 s ILE 56 Ca 0.06 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 2p25 s ILE 56 Cb -0.15 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 2p25 s ILE 56 CO 0.02 0.52 0.14 -0.36 0.00 0.00 0.00 174.94 175.27 2p25 s PHE 57 N 0.85 3.25 -0.18 3.97 0.08 0.17 -0.39 117.98 125.73 2p25 s PHE 57 Ca -0.05 0.10 -0.01 0.00 0.12 0.00 0.00 56.93 57.09 2p25 s PHE 57 Cb -0.15 -2.27 -0.00 0.00 -0.57 0.00 0.00 43.02 40.03 2p25 s PHE 57 CO -0.01 -0.03 -0.12 0.42 -0.10 0.00 0.00 175.22 175.38 2p25 s ILE 58 N 1.21 2.89 -0.21 0.64 1.01 0.42 -0.79 121.20 126.37 2p25 s ILE 58 Ca 0.07 -0.68 -0.27 0.00 0.00 0.00 0.00 60.65 59.77 2p25 s ILE 58 Cb -0.14 -2.25 0.09 0.00 0.01 0.00 0.00 42.46 40.16 2p25 s ILE 58 CO 0.05 0.49 0.83 -0.55 0.00 0.00 0.00 174.94 175.76 2p25 s SER 59 N 1.03 -0.61 0.00 3.58 0.15 -0.37 -1.86 113.70 115.61 2p25 s SER 59 Ca -0.01 1.02 0.16 0.00 0.70 0.00 0.00 55.95 57.82 2p25 s SER 59 Cb -0.15 0.98 0.89 0.00 -1.71 0.00 0.00 66.02 66.03 2p25 s SER 59 CO -0.02 -0.31 1.58 -0.90 1.20 0.00 0.00 173.24 174.79 2p25 n ASP 60 N 1.95 0.20 0.15 5.45 5.75 -1.25 -3.73 116.55 125.07 2p25 n ASP 60 Ca -0.14 -1.55 0.12 0.00 -0.01 0.00 0.00 54.79 53.21 2p25 n ASP 60 Cb 0.56 -0.01 0.15 0.00 -1.03 0.00 0.00 41.12 40.78 2p25 n ASP 60 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2p25 h GLN 61 N 0.26 0.00 -6.27 0.11 1.08 -1.92 -3.45 115.11 104.91 2p25 h GLN 61 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 2p25 h GLN 61 Cb 0.06 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 2p25 h GLN 61 CO 0.00 0.00 0.59 -0.06 -0.95 0.00 0.00 178.83 178.41 2p25 s PHE 62 N -3.24 3.46 1.00 2.96 0.08 -1.24 -5.04 117.98 115.97 2p25 s PHE 62 Ca 0.05 1.54 -0.14 0.00 0.12 0.00 0.00 56.93 58.49 2p25 s PHE 62 Cb 0.09 -3.23 0.19 0.00 -0.57 0.00 0.00 43.02 39.50 2p25 s PHE 62 CO 0.71 -0.39 1.15 -1.25 -0.10 0.00 0.00 175.22 175.33 2p25 s PRO 63 N 2.05 0.37 0.53 0.24 0.04 -1.26 -4.98 135.00 131.99 2p25 s PRO 63 Ca 0.49 0.14 -0.22 0.00 0.04 0.00 0.00 61.00 61.46 2p25 s PRO 63 Cb -0.19 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2p25 s PRO 63 CO 0.18 -2.69 1.17 0.00 0.04 0.00 0.00 177.00 175.70 2p25 n ALA 64 N -4.08 0.88 -1.84 8.56 0.00 -1.26 -4.89 120.51 117.87 2p25 n ALA 64 Ca 0.09 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 2p25 n ALA 64 Cb 0.59 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 2p25 n ALA 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2p25 s ARG 65 N -2.63 4.17 0.39 0.00 3.52 -1.26 -4.92 118.95 118.22 2p25 s ARG 65 Ca 0.70 2.43 -0.27 0.00 -0.13 0.00 0.00 55.73 58.46 2p25 s ARG 65 Cb -0.45 -3.70 -0.11 0.00 -1.56 0.00 0.00 34.95 29.13 2p25 s ARG 65 CO 0.51 -0.80 1.40 -2.30 -0.81 0.00 0.00 175.30 173.29 2p25 n PRO 66 N 6.01 2.36 -3.76 5.12 -0.02 -1.26 -5.02 135.00 138.43 2p25 n PRO 66 Ca 0.17 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.38 2p25 n PRO 66 Cb 0.40 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.27 2p25 n PRO 66 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2p25 s SER 67 N -0.29 -0.07 -1.13 2.55 1.04 -1.26 -4.36 113.70 110.18 2p25 s SER 67 Ca 0.56 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 56.48 2p25 s SER 67 Cb -0.50 0.37 -0.02 0.00 0.10 0.00 0.00 66.02 65.97 2p25 s SER 67 CO 0.62 -0.69 0.82 -1.22 0.98 0.00 0.00 173.24 173.74 2p25 n TYR 68 N 0.24 -2.05 -3.11 5.02 4.01 -1.26 -4.48 117.16 115.54 2p25 n TYR 68 Ca -0.17 0.59 -0.27 0.00 -0.16 0.00 0.00 57.90 57.88 2p25 n TYR 68 Cb 0.61 -3.69 -0.02 0.00 -0.31 0.00 0.00 39.34 35.93 2p25 n TYR 68 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2p25 s PRO 69 N -5.58 3.59 0.81 -0.72 0.04 -1.26 -5.16 135.00 126.72 2p25 s PRO 69 Ca 0.43 0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 2p25 s PRO 69 Cb -0.13 -2.55 0.08 0.00 0.04 0.00 0.00 34.50 31.94 2p25 s PRO 69 CO 0.83 0.06 1.13 -1.21 0.04 0.00 0.00 177.00 177.85 2p25 s GLU 70 N -4.06 1.85 0.34 4.56 2.02 -1.26 -4.89 118.70 117.25 2p25 s GLU 70 Ca 0.45 1.40 0.04 0.00 0.02 0.00 0.00 54.97 56.88 2p25 s GLU 70 Cb -0.10 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 2p25 s GLU 70 CO 0.35 -1.98 0.50 0.00 0.02 0.00 0.00 175.26 174.14 2p25 s ALA 71 N -2.64 3.96 0.54 5.21 0.00 -1.26 -4.93 121.76 122.64 2p25 s ALA 71 Ca 0.65 -1.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 2p25 s ALA 71 Cb -0.21 -1.86 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 2p25 s ALA 71 CO 0.54 -0.03 0.85 1.28 0.00 0.00 0.00 175.76 178.40 2p25 n LEU 72 N -1.70 2.55 0.00 0.00 4.77 -1.26 -4.82 117.00 116.54 2p25 n LEU 72 Ca -0.03 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 2p25 n LEU 72 Cb 0.57 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2p25 n LEU 72 CO 0.45 -2.10 0.00 0.61 -1.33 0.00 0.00 177.39 175.02 2p25 n GLY 73 N 1.40 0.35 3.73 -0.72 0.00 -1.26 -5.02 105.19 103.68 2p25 n GLY 73 Ca 0.12 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 2p25 n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p25 s LEU 74 N 0.00 4.42 -0.19 0.99 1.43 -1.26 -4.95 118.68 119.12 2p25 s LEU 74 Ca 0.00 2.23 -0.13 0.00 -1.03 0.00 0.00 54.13 55.20 2p25 s LEU 74 Cb 0.00 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.54 2p25 s LEU 74 CO 0.00 -0.46 -0.30 -1.14 0.23 0.00 0.00 176.35 174.68 2p25 n ARG 75 N 3.03 0.47 -3.92 1.70 0.63 -1.26 -5.03 116.66 112.28 2p25 n ARG 75 Ca 0.07 0.20 -0.09 0.00 -0.92 0.00 0.00 57.85 57.10 2p25 n ARG 75 Cb 0.44 -1.30 -0.05 0.00 0.45 0.00 0.00 32.46 32.00 2p25 n ARG 75 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2p25 s HIS 76 N -2.58 0.18 -0.06 -0.14 -3.43 -1.26 -4.56 115.29 103.44 2p25 s HIS 76 Ca -0.29 -0.55 0.05 0.00 -0.80 0.00 0.00 55.06 53.47 2p25 s HIS 76 Cb 0.08 0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 31.51 2p25 s HIS 76 CO 0.39 -0.98 -0.21 -1.17 -2.00 0.00 0.00 174.74 170.76 2p25 s LEU 77 N -2.97 1.99 -0.05 5.38 2.96 -1.19 -5.03 118.68 119.77 2p25 s LEU 77 Ca 0.17 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2p25 s LEU 77 Cb -0.01 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 2p25 s LEU 77 CO 0.05 0.19 -0.20 0.00 -1.32 0.00 0.00 176.35 175.07 2p25 s ALA 78 N -0.01 2.40 -0.13 5.97 0.00 -1.26 -0.79 121.76 127.94 2p25 s ALA 78 Ca -0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 2p25 s ALA 78 Cb -0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2p25 s ALA 78 CO 0.04 0.48 0.05 -0.06 0.00 0.00 0.00 175.76 176.26 2p25 s PHE 79 N -0.43 3.27 -0.03 0.00 0.08 0.13 -4.93 117.98 116.07 2p25 s PHE 79 Ca 0.04 0.19 -0.27 0.00 0.12 0.00 0.00 56.93 57.01 2p25 s PHE 79 Cb -0.12 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 2p25 s PHE 79 CO 0.02 0.39 0.86 0.21 -0.10 0.00 0.00 175.22 176.60 2p25 s LYS 80 N -0.42 4.50 0.18 0.44 2.20 -1.26 -1.03 119.74 124.35 2p25 s LYS 80 Ca 0.09 1.19 0.10 0.00 -0.36 0.00 0.00 55.97 56.98 2p25 s LYS 80 Cb -0.12 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 2p25 s LYS 80 CO 0.02 -0.02 -0.20 0.14 -0.36 0.00 0.00 175.35 174.93 2p25 s VAL 81 N 0.98 2.04 -0.10 4.02 -7.23 -0.28 -4.91 120.40 114.92 2p25 s VAL 81 Ca 0.46 -1.97 -0.22 0.00 -1.81 0.00 0.00 61.98 58.44 2p25 s VAL 81 Cb -0.19 -1.96 -0.27 0.00 0.56 0.00 0.00 36.38 34.51 2p25 s VAL 81 CO 0.23 -0.24 0.68 -0.33 -0.31 0.00 0.00 175.10 175.13 2p25 h GLU 82 N 3.20 0.18 -2.76 4.82 5.08 -1.97 -3.38 114.58 119.75 2p25 h GLU 82 Ca -0.44 -0.31 -0.58 0.00 -1.00 0.00 0.00 59.36 57.03 2p25 h GLU 82 Cb 1.21 0.11 -0.39 0.00 0.50 0.00 0.00 28.75 30.18 2p25 h GLU 82 CO 0.50 1.15 -0.81 -1.01 -1.00 0.00 0.00 179.01 177.84 2p25 s HIS 83 N -2.39 1.07 0.41 4.33 3.76 -1.26 -4.98 115.29 116.22 2p25 s HIS 83 Ca -0.19 -1.77 0.10 0.00 -0.15 0.00 0.00 55.06 53.05 2p25 s HIS 83 Cb 0.02 -1.21 0.90 0.00 1.11 0.00 0.00 32.58 33.40 2p25 s HIS 83 CO 0.75 -0.82 2.00 0.97 -0.85 0.00 0.00 174.74 176.79 2p25 h ILE 84 N 5.29 0.99 -0.90 0.60 2.10 -1.96 -2.37 117.51 121.25 2p25 h ILE 84 Ca 0.01 -0.19 0.02 0.00 1.08 0.00 0.00 64.86 65.78 2p25 h ILE 84 Cb 0.96 0.39 -0.05 0.00 -1.09 0.00 0.00 36.82 37.04 2p25 h ILE 84 CO 0.35 0.10 0.59 -0.33 -1.08 0.00 0.00 178.15 177.78 2p25 h GLU 85 N 0.55 1.13 -0.30 2.19 3.07 -1.99 -0.43 114.58 118.81 2p25 h GLU 85 Ca 0.25 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.93 2p25 h GLU 85 Cb 0.30 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2p25 h GLU 85 CO -0.07 0.75 -0.31 1.05 -1.40 0.00 0.00 179.01 179.03 2p25 h GLU 86 N 1.17 0.63 -0.26 2.33 4.11 -1.86 -0.53 114.58 120.17 2p25 h GLU 86 Ca 0.35 -0.28 -0.07 0.00 0.07 0.00 0.00 59.36 59.43 2p25 h GLU 86 Cb -0.05 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2p25 h GLU 86 CO -0.10 0.86 -0.11 0.28 0.07 0.00 0.00 179.01 180.01 2p25 h VAL 87 N 0.54 1.30 -0.45 -1.06 2.07 -1.40 -0.60 116.25 116.64 2p25 h VAL 87 Ca 0.06 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.46 2p25 h VAL 87 Cb 0.80 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 2p25 h VAL 87 CO 0.07 0.37 0.14 0.40 0.02 0.00 0.00 177.57 178.56 2p25 h ILE 88 N 0.26 0.83 -0.33 4.57 2.04 -0.99 -0.59 117.51 123.29 2p25 h ILE 88 Ca 0.06 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2p25 h ILE 88 Cb 0.61 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2p25 h ILE 88 CO 0.04 0.05 0.19 0.00 0.00 0.00 0.00 178.15 178.43 2p25 h ALA 89 N 1.31 0.41 -0.39 1.87 0.00 -0.91 0.92 119.26 122.48 2p25 h ALA 89 Ca 0.21 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2p25 h ALA 89 Cb 0.23 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 2p25 h ALA 89 CO -0.24 -0.16 0.04 0.35 0.00 0.00 0.00 179.25 179.24 2p25 h PHE 90 N 0.40 0.06 -0.28 0.00 3.57 -0.74 0.03 116.94 119.98 2p25 h PHE 90 Ca 0.13 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2p25 h PHE 90 Cb -0.00 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2p25 h PHE 90 CO -0.07 -0.02 0.10 -0.07 -2.23 0.00 0.00 178.31 176.01 2p25 h LEU 91 N 0.16 0.39 -1.24 0.59 3.38 -0.65 -2.56 115.31 115.38 2p25 h LEU 91 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2p25 h LEU 91 Cb 0.24 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2p25 h LEU 91 CO -0.27 0.48 0.33 0.78 0.09 0.00 0.00 178.44 179.85 2p25 h ASN 92 N 0.29 0.76 0.08 -0.43 2.35 -0.49 0.11 115.58 118.25 2p25 h ASN 92 Ca 0.09 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 2p25 h ASN 92 Cb 0.21 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2p25 h ASN 92 CO -0.00 0.62 -0.18 -0.08 -1.65 0.00 0.00 177.43 176.13 2p25 h GLU 93 N 0.86 0.21 -0.14 0.81 4.81 -0.73 -1.29 114.58 119.11 2p25 h GLU 93 Ca 0.22 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2p25 h GLU 93 Cb 0.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2p25 h GLU 93 CO -0.04 0.39 0.00 1.04 -0.73 0.00 0.00 179.01 179.68 2p25 n GLN 94 N -4.23 1.41 -0.92 1.92 1.13 -0.27 -4.89 117.38 111.53 2p25 n GLN 94 Ca -0.01 -0.63 0.00 0.00 -1.94 0.00 0.00 57.00 54.42 2p25 n GLN 94 Cb 0.30 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.41 2p25 n GLN 94 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2p25 n GLY 95 N 0.89 0.45 3.44 1.08 0.00 -0.49 -5.02 105.19 105.54 2p25 n GLY 95 Ca 0.11 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 2p25 n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p25 s ILE 96 N -2.00 4.80 0.45 -0.61 1.01 -0.13 -5.00 121.20 119.72 2p25 s ILE 96 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 59.90 2p25 s ILE 96 Cb 0.00 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.86 2p25 s ILE 96 CO 0.00 -0.06 1.14 -1.61 0.00 0.00 0.00 174.94 174.41 2p25 s GLU 97 N 1.63 3.82 0.04 2.79 2.02 -1.26 -3.07 118.70 124.67 2p25 s GLU 97 Ca 0.04 1.72 0.07 0.00 0.02 0.00 0.00 54.97 56.82 2p25 s GLU 97 Cb -0.18 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 2p25 s GLU 97 CO 0.08 -0.49 -0.19 0.95 0.02 0.00 0.00 175.26 175.63 2p25 s THR 98 N -1.57 1.53 0.73 3.63 -4.23 -1.26 -4.42 115.64 110.04 2p25 s THR 98 Ca 0.63 -1.11 -0.14 0.00 -1.18 0.00 0.00 61.69 59.88 2p25 s THR 98 Cb -0.27 -1.33 0.04 0.00 1.34 0.00 0.00 72.50 72.27 2p25 s THR 98 CO 0.33 0.19 1.16 -1.61 -0.54 0.00 0.00 174.62 174.14 2p25 s GLU 99 N -1.09 2.28 0.48 3.99 2.02 -0.40 -4.97 118.70 121.00 2p25 s GLU 99 Ca 0.06 1.55 -0.23 0.00 0.02 0.00 0.00 54.97 56.38 2p25 s GLU 99 Cb -0.08 -1.87 -0.08 0.00 0.10 0.00 0.00 34.13 32.19 2p25 s GLU 99 CO 0.01 -1.68 1.10 -2.30 0.02 0.00 0.00 175.26 172.41 2p25 n PRO 100 N -2.83 1.43 -2.08 0.39 -0.02 -1.26 -4.66 135.00 125.97 2p25 n PRO 100 Ca 0.12 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 2p25 n PRO 100 Cb 0.51 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 2p25 n PRO 100 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2p25 s LEU 101 N -1.48 4.42 0.00 2.45 2.96 -1.26 -4.82 118.68 120.94 2p25 s LEU 101 Ca 0.66 2.71 0.03 0.00 -0.22 0.00 0.00 54.13 57.32 2p25 s LEU 101 Cb -0.49 -3.65 -0.01 0.00 0.50 0.00 0.00 46.19 42.54 2p25 s LEU 101 CO 0.54 -0.57 0.33 -2.11 -1.32 0.00 0.00 176.35 173.22 2p25 n ARG 102 N 0.91 0.48 -4.29 1.98 1.85 -1.26 -5.06 116.66 111.27 2p25 n ARG 102 Ca 0.01 -2.73 -0.31 0.00 -1.00 0.00 0.00 57.85 53.82 2p25 n ARG 102 Cb 0.41 2.40 -0.10 0.00 -1.05 0.00 0.00 32.46 34.13 2p25 n ARG 102 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2p25 s VAL 103 N -3.00 3.56 0.18 8.89 -7.23 -1.26 -4.32 120.40 117.21 2p25 s VAL 103 Ca 0.31 -1.07 -0.31 0.00 -1.81 0.00 0.00 61.98 59.10 2p25 s VAL 103 Cb 0.01 -2.63 -0.10 0.00 0.56 0.00 0.00 36.38 34.21 2p25 s VAL 103 CO 0.22 0.20 1.54 -0.62 -0.31 0.00 0.00 175.10 176.13 2p25 s ASP 104 N -1.97 6.60 0.39 4.85 -1.08 0.27 -4.89 116.67 120.84 2p25 s ASP 104 Ca 0.21 2.62 0.13 0.00 -0.52 0.00 0.00 52.55 54.99 2p25 s ASP 104 Cb -0.11 -2.60 0.95 0.00 -1.46 0.00 0.00 42.92 39.70 2p25 s ASP 104 CO 0.13 -0.80 1.88 0.44 0.52 0.00 0.00 175.17 177.33 2p25 h ASP 105 N 6.44 0.52 0.00 -0.34 3.32 -1.98 -1.08 116.42 123.30 2p25 h ASP 105 Ca -0.43 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2p25 h ASP 105 Cb 1.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2p25 h ASP 105 CO 0.89 0.25 -0.85 0.49 -1.72 0.00 0.00 179.24 178.29 2p25 n PHE 106 N -4.53 0.00 -0.02 4.55 3.72 -1.26 -4.69 117.46 115.23 2p25 n PHE 106 Ca 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.58 2p25 n PHE 106 Cb 0.55 -0.09 -0.07 0.00 -0.94 0.00 0.00 39.48 38.93 2p25 n PHE 106 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2p25 n THR 107 N -1.47 0.25 -0.98 4.37 -2.24 -1.16 -5.03 114.28 108.02 2p25 n THR 107 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2p25 n THR 107 Cb 0.18 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2p25 n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p25 n GLY 108 N 2.19 0.73 3.88 3.38 0.00 -0.42 -4.97 105.19 109.98 2p25 n GLY 108 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2p25 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p25 s LYS 109 N -0.02 3.79 0.88 1.61 1.02 -1.26 -4.67 119.74 121.08 2p25 s LYS 109 Ca 0.00 0.25 -0.11 0.00 0.02 0.00 0.00 55.97 56.13 2p25 s LYS 109 Cb 0.00 -2.67 0.12 0.00 -0.52 0.00 0.00 37.83 34.75 2p25 s LYS 109 CO 0.00 0.34 1.09 0.15 -0.92 0.00 0.00 175.35 176.01 2p25 s LYS 110 N -2.77 1.42 0.02 1.68 1.02 -1.26 -0.56 119.74 119.28 2p25 s LYS 110 Ca 0.46 0.97 -0.27 0.00 0.02 0.00 0.00 55.97 57.15 2p25 s LYS 110 Cb -0.11 -1.82 0.09 0.00 -0.52 0.00 0.00 37.83 35.47 2p25 s LYS 110 CO 0.21 -2.17 1.24 -0.08 -0.92 0.00 0.00 175.35 173.63 2p25 s THR 112 N -2.88 0.00 0.06 2.17 -1.32 -0.62 -1.34 115.64 111.70 2p25 s THR 112 Ca 0.63 -0.25 0.07 0.00 -1.21 0.00 0.00 61.69 60.93 2p25 s THR 112 Cb -0.18 -2.86 -0.03 0.00 -1.51 0.00 0.00 72.50 67.92 2p25 s THR 112 CO 0.57 0.00 -0.19 -0.36 -2.21 0.00 0.00 174.62 172.43 2p25 s PHE 113 N -2.09 1.61 0.43 9.09 0.08 -1.26 -0.46 117.98 125.39 2p25 s PHE 113 Ca 0.27 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.96 2p25 s PHE 113 Cb -0.00 -0.94 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 2p25 s PHE 113 CO 0.00 0.10 0.10 -0.59 -0.10 0.00 0.00 175.22 174.74 2p25 s PHE 114 N -0.93 1.81 0.01 0.36 -0.12 0.05 -1.28 117.98 117.88 2p25 s PHE 114 Ca 0.05 -1.22 0.01 0.00 -0.05 0.00 0.00 56.93 55.72 2p25 s PHE 114 Cb -0.09 -1.25 -0.01 0.00 -0.63 0.00 0.00 43.02 41.04 2p25 s PHE 114 CO 0.02 -0.19 -0.03 -0.06 -0.05 0.00 0.00 175.22 174.91 2p25 s PHE 115 N -3.13 0.27 0.98 3.49 0.08 -1.26 -0.56 117.98 117.85 2p25 s PHE 115 Ca 0.20 -0.17 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 2p25 s PHE 115 Cb 0.02 -0.18 0.18 0.00 -0.57 0.00 0.00 43.02 42.48 2p25 s PHE 115 CO 0.12 -0.04 1.18 0.16 -0.10 0.00 0.00 175.22 176.54 2p25 s ASP 116 N -0.46 2.93 0.60 1.36 -4.77 -0.36 -4.84 116.67 111.12 2p25 s ASP 116 Ca -0.03 0.73 0.31 0.00 -3.30 0.00 0.00 52.55 50.26 2p25 s ASP 116 Cb -0.03 -1.12 1.80 0.00 -1.09 0.00 0.00 42.92 42.48 2p25 s ASP 116 CO -0.00 -2.89 2.17 -0.65 0.70 0.00 0.00 175.17 174.50 2p25 h PRO 117 N -1.74 0.00 -0.62 2.11 0.11 -1.91 0.82 132.00 130.78 2p25 h PRO 117 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2p25 h PRO 117 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2p25 h PRO 117 CO 0.51 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.05 2p25 n ASP 118 N -3.68 4.67 0.00 -2.05 8.00 -1.26 -4.96 116.55 117.27 2p25 n ASP 118 Ca -0.01 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 53.03 2p25 n ASP 118 Cb 0.23 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 2p25 n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p25 n GLY 119 N 1.02 0.49 3.67 0.44 0.00 0.28 -4.65 105.19 106.45 2p25 n GLY 119 Ca 0.25 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2p25 n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2p25 s LEU 120 N 0.00 4.31 0.16 0.99 2.96 -1.26 -4.73 118.68 121.11 2p25 s LEU 120 Ca 0.00 2.18 -0.31 0.00 -0.22 0.00 0.00 54.13 55.78 2p25 s LEU 120 Cb 0.00 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.06 2p25 s LEU 120 CO 0.00 -0.83 1.36 -2.84 -1.32 0.00 0.00 176.35 172.73 2p25 s PRO 121 N 3.16 4.34 -0.12 0.98 0.02 -1.26 -1.23 135.00 140.89 2p25 s PRO 121 Ca 0.68 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.80 2p25 s PRO 121 Cb -0.32 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 31.00 2p25 s PRO 121 CO 0.27 -0.37 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.93 2p25 s LEU 122 N 0.55 1.65 0.02 -5.54 1.43 0.27 -3.19 118.68 113.87 2p25 s LEU 122 Ca 0.61 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.23 2p25 s LEU 122 Cb -0.37 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 2p25 s LEU 122 CO 0.34 -0.02 0.26 -0.70 0.23 0.00 0.00 176.35 176.46 2p25 s GLU 123 N 1.22 3.55 -0.14 1.70 2.12 0.03 -0.77 118.70 126.42 2p25 s GLU 123 Ca -0.02 -0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.14 2p25 s GLU 123 Cb -0.14 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 2p25 s GLU 123 CO -0.05 0.63 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.76 2p25 s LEU 124 N -1.95 3.33 -0.04 2.70 1.43 0.39 0.19 118.68 124.74 2p25 s LEU 124 Ca 0.30 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2p25 s LEU 124 Cb -0.13 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.33 2p25 s LEU 124 CO 0.18 0.22 0.08 -2.28 0.23 0.00 0.00 176.35 174.79 2p25 s HIS 125 N 0.04 -0.06 -2.00 0.29 2.46 -0.20 -1.59 115.29 114.24 2p25 s HIS 125 Ca 0.01 0.29 0.27 0.00 0.47 0.00 0.00 55.06 56.10 2p25 s HIS 125 Cb -0.13 -0.17 1.60 0.00 -0.13 0.00 0.00 32.58 33.75 2p25 s HIS 125 CO 0.02 -0.13 1.95 0.39 -2.47 0.00 0.00 174.74 174.51