#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b95 h ALA 12 N 0.00 1.56 -0.25 -5.12 0.00 -2.05 -1.38 119.26 112.02 2b95 h ALA 12 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2b95 h ALA 12 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2b95 h ALA 12 CO 0.00 0.01 -0.15 1.49 0.00 0.00 0.00 179.25 180.59 2b95 h GLU 13 N 0.79 -0.13 -0.52 0.00 4.81 -2.06 0.11 114.58 117.59 2b95 h GLU 13 Ca 0.54 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.73 2b95 h GLU 13 Cb 0.76 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 2b95 h GLU 13 CO -0.35 -0.09 0.11 0.28 -0.73 0.00 0.00 179.01 178.23 2b95 h VAL 14 N -0.13 1.22 -0.62 0.32 2.07 -1.73 -2.73 116.25 114.66 2b95 h VAL 14 Ca 0.14 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 2b95 h VAL 14 Cb 0.34 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2b95 h VAL 14 CO -0.33 0.31 0.20 -0.33 0.02 0.00 0.00 177.57 177.43 2b95 h GLU 15 N 0.77 0.96 -0.97 1.57 5.08 -0.39 0.12 114.58 121.72 2b95 h GLU 15 Ca 0.17 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2b95 h GLU 15 Cb 0.31 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2b95 h GLU 15 CO 0.00 0.85 0.61 1.49 -1.00 0.00 0.00 179.01 180.96 2b95 h GLU 16 N 0.88 1.29 0.00 2.33 4.81 -0.54 -1.46 114.58 121.89 2b95 h GLU 16 Ca 0.20 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 2b95 h GLU 16 Cb 0.29 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2b95 h GLU 16 CO -0.01 0.88 -0.50 1.15 -0.73 0.00 0.00 179.01 179.80 2b95 h THR 17 N 1.32 0.88 -0.24 0.32 2.02 -1.23 -3.26 112.91 112.71 2b95 h THR 17 Ca 0.35 -2.20 -0.16 0.00 0.77 0.00 0.00 66.41 65.17 2b95 h THR 17 Cb -0.11 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2b95 h THR 17 CO -0.07 0.49 -0.50 -0.07 0.37 0.00 0.00 175.52 175.74 2b95 h LEU 18 N 0.00 0.73 0.11 2.58 4.07 -0.05 -2.08 115.31 120.67 2b95 h LEU 18 Ca -0.01 -0.37 -0.01 0.00 0.08 0.00 0.00 57.88 57.58 2b95 h LEU 18 Cb 1.36 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.89 2b95 h LEU 18 CO 0.07 1.11 -0.05 0.11 -1.08 0.00 0.00 178.44 178.59 2b95 h LYS 19 N 0.52 -0.14 -0.05 1.13 1.79 -1.34 0.16 116.57 118.64 2b95 h LYS 19 Ca 0.02 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.44 2b95 h LYS 19 Cb 1.06 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2b95 h LYS 19 CO 0.10 -0.07 -0.27 -0.09 -1.08 0.00 0.00 179.45 178.04 2b95 h ARG 20 N -0.18 0.09 0.15 3.15 9.65 -1.63 -0.83 114.38 124.78 2b95 h ARG 20 Ca -0.01 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2b95 h ARG 20 Cb 0.14 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2b95 h ARG 20 CO 0.02 0.36 -0.07 -0.07 2.80 0.00 0.00 179.97 183.01 2b95 h LEU 21 N 0.08 -0.17 -1.25 3.80 4.07 -0.96 -2.43 115.31 118.43 2b95 h LEU 21 Ca 0.01 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.61 2b95 h LEU 21 Cb 0.53 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.32 2b95 h LEU 21 CO 0.04 0.33 0.00 -0.61 -1.08 0.00 0.00 178.44 177.12 2b95 h GLN 22 N -0.75 0.00 0.00 1.13 4.15 -0.64 -1.87 115.11 117.13 2b95 h GLN 22 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2b95 h GLN 22 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 2b95 h GLN 22 CO 0.03 0.00 -0.55 1.03 -1.93 0.00 0.00 178.83 177.41 2b95 h SER 23 N 0.00 0.00 -2.87 -0.69 0.87 -1.08 -3.46 113.55 106.32 2b95 h SER 23 Ca 0.00 -0.08 -0.60 0.00 -1.23 0.00 0.00 61.79 59.89 2b95 h SER 23 Cb 0.33 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 2b95 h SER 23 CO 0.00 0.04 -0.55 0.00 -0.53 0.00 0.00 176.83 175.79 2b95 s GLN 24 N -3.23 3.08 0.12 2.24 -2.07 -0.70 -5.06 119.66 114.03 2b95 s GLN 24 Ca 0.05 -0.69 -0.30 0.00 -1.82 0.00 0.00 55.36 52.60 2b95 s GLN 24 Cb 0.10 -2.80 -0.06 0.00 -1.09 0.00 0.00 33.01 29.17 2b95 s GLN 24 CO 0.72 0.54 0.99 0.21 -1.32 0.00 0.00 175.29 176.43 2b95 s LYS 25 N -2.79 4.67 0.00 9.60 2.20 -1.26 -3.96 119.74 128.19 2b95 s LYS 25 Ca 0.32 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 2b95 s LYS 25 Cb -0.11 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2b95 s LYS 25 CO 0.25 0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.81 2b95 n GLY 26 N 2.27 3.32 3.73 5.54 0.00 -1.26 -4.99 105.19 113.81 2b95 n GLY 26 Ca 0.03 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2b95 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b95 s VAL 27 N -0.07 2.61 -0.19 1.61 1.01 -1.25 -1.57 120.40 122.54 2b95 s VAL 27 Ca 0.00 0.47 0.16 0.00 0.00 0.00 0.00 61.98 62.61 2b95 s VAL 27 Cb 0.00 -3.30 -0.23 0.00 0.00 0.00 0.00 36.38 32.85 2b95 s VAL 27 CO 0.00 0.05 0.05 0.00 0.00 0.00 0.00 175.10 175.21 2b95 n GLN 28 N 3.25 0.92 0.00 2.72 3.00 0.82 -4.91 117.38 123.18 2b95 n GLN 28 Ca 0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2b95 n GLN 28 Cb 0.39 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 29.15 2b95 n GLN 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2b95 n GLY 29 N 1.87 3.00 3.87 1.08 0.00 -1.20 -4.91 105.19 108.90 2b95 n GLY 29 Ca -0.31 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2b95 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b95 s ILE 30 N -0.06 5.48 0.03 -0.61 1.09 -1.26 -2.95 121.20 122.92 2b95 s ILE 30 Ca 0.00 0.25 0.07 0.00 -1.10 0.00 0.00 60.65 59.87 2b95 s ILE 30 Cb 0.00 -3.42 -0.02 0.00 -1.06 0.00 0.00 42.46 37.95 2b95 s ILE 30 CO 0.00 0.61 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.62 2b95 s ILE 31 N -0.96 1.59 -0.02 2.92 1.01 -0.41 -3.40 121.20 121.93 2b95 s ILE 31 Ca 0.15 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2b95 s ILE 31 Cb -0.12 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.98 2b95 s ILE 31 CO 0.04 0.24 -0.08 -0.69 0.00 0.00 0.00 174.94 174.45 2b95 s VAL 32 N -0.72 0.70 -0.03 2.92 1.01 0.11 -1.10 120.40 123.28 2b95 s VAL 32 Ca 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 2b95 s VAL 32 Cb -0.08 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.68 2b95 s VAL 32 CO 0.01 0.22 0.09 -0.69 0.00 0.00 0.00 175.10 174.73 2b95 s VAL 33 N 0.10 0.02 0.00 2.92 1.01 -1.21 -1.15 120.40 122.10 2b95 s VAL 33 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2b95 s VAL 33 Cb -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.13 2b95 s VAL 33 CO 0.00 -0.08 0.00 0.59 0.00 0.00 0.00 175.10 175.61 2b95 n ASN 34 N 2.73 -0.55 0.20 3.32 3.02 -0.89 -0.02 115.26 123.07 2b95 n ASN 34 Ca -0.14 -0.68 0.09 0.00 -0.03 0.00 0.00 54.58 53.82 2b95 n ASN 34 Cb 0.59 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 40.02 2b95 n ASN 34 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2b95 h THR 35 N -1.25 0.39 -0.08 3.41 1.35 -1.84 -3.24 112.91 111.65 2b95 h THR 35 Ca 0.00 -1.33 -0.18 0.00 -0.55 0.00 0.00 66.41 64.35 2b95 h THR 35 Cb 0.00 2.01 0.01 0.00 -1.73 0.00 0.00 68.15 68.44 2b95 h THR 35 CO 0.00 0.20 -0.64 -0.33 -0.25 0.00 0.00 175.52 174.50 2b95 h GLU 36 N 0.00 0.58 0.00 4.72 5.08 -1.92 -3.48 114.58 119.57 2b95 h GLU 36 Ca -0.00 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2b95 h GLU 36 Cb 0.99 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2b95 h GLU 36 CO 0.03 1.14 0.00 0.41 -1.00 0.00 0.00 179.01 179.59 2b95 n GLY 37 N 0.81 0.16 3.74 -3.84 0.00 -1.22 -5.13 105.19 99.72 2b95 n GLY 37 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 2b95 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b95 s ILE 38 N -1.10 5.18 0.36 -0.61 1.01 -1.26 -4.75 121.20 120.03 2b95 s ILE 38 Ca 0.00 0.86 -0.27 0.00 0.00 0.00 0.00 60.65 61.24 2b95 s ILE 38 Cb 0.00 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 2b95 s ILE 38 CO 0.00 0.39 1.21 -2.16 0.00 0.00 0.00 174.94 174.37 2b95 s PRO 39 N 0.27 4.24 -0.03 2.79 0.04 -1.26 -2.10 135.00 138.95 2b95 s PRO 39 Ca 0.24 1.96 0.01 0.00 0.04 0.00 0.00 61.00 63.25 2b95 s PRO 39 Cb -0.15 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 2b95 s PRO 39 CO 0.10 -0.20 -0.01 0.44 0.04 0.00 0.00 177.00 177.36 2b95 n ILE 40 N 0.48 0.19 -3.95 0.56 -5.35 -0.30 -4.94 119.36 106.05 2b95 n ILE 40 Ca 0.02 -0.09 -0.16 0.00 -0.27 0.00 0.00 62.75 62.25 2b95 n ILE 40 Cb 0.45 -0.76 -0.16 0.00 -1.74 0.00 0.00 39.64 37.43 2b95 n ILE 40 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2b95 s LYS 41 N -2.07 0.30 -0.20 6.28 1.02 -1.23 -5.01 119.74 118.84 2b95 s LYS 41 Ca -0.03 0.03 -0.28 0.00 0.02 0.00 0.00 55.97 55.71 2b95 s LYS 41 Cb 0.01 -0.43 0.12 0.00 -0.52 0.00 0.00 37.83 37.00 2b95 s LYS 41 CO 0.09 -0.09 0.96 0.45 -0.92 0.00 0.00 175.35 175.84 2b95 s SER 42 N 0.79 -0.45 -0.01 2.83 0.15 -1.26 0.04 113.70 115.79 2b95 s SER 42 Ca -0.08 0.66 0.11 0.00 0.70 0.00 0.00 55.95 57.35 2b95 s SER 42 Cb -0.11 0.60 -0.15 0.00 -1.71 0.00 0.00 66.02 64.65 2b95 s SER 42 CO -0.01 -0.29 0.35 0.35 1.20 0.00 0.00 173.24 174.84 2b95 n THR 43 N 1.41 0.00 -0.41 6.45 -2.24 -1.22 -5.01 114.28 113.26 2b95 n THR 43 Ca -0.12 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2b95 n THR 43 Cb 0.57 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 2b95 n THR 43 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2b95 n MET 44 N -1.59 -0.67 -1.81 -0.78 2.81 -1.26 -5.05 117.12 108.76 2b95 n MET 44 Ca -0.00 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.71 2b95 n MET 44 Cb 0.24 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 32.85 2b95 n MET 44 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2b95 n ASP 45 N -2.49 0.70 0.24 7.83 -0.08 -1.26 -4.77 116.55 116.73 2b95 n ASP 45 Ca 0.00 -1.67 -0.15 0.00 -1.51 0.00 0.00 54.79 51.45 2b95 n ASP 45 Cb 0.00 -0.54 -0.08 0.00 2.34 0.00 0.00 41.12 42.84 2b95 n ASP 45 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 2b95 h ASN 46 N -0.66 -0.51 0.78 1.67 -0.00 -1.98 0.25 115.58 115.13 2b95 h ASN 46 Ca -0.26 -0.06 -0.04 0.00 -0.00 0.00 0.00 56.30 55.94 2b95 h ASN 46 Cb 0.86 0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 39.31 2b95 h ASN 46 CO 0.24 -0.24 -0.20 1.55 -0.00 0.00 0.00 177.43 178.78 2b95 h PRO 47 N -0.77 0.00 0.20 6.67 0.13 -1.97 0.14 132.00 136.40 2b95 h PRO 47 Ca -0.06 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.78 2b95 h PRO 47 Cb 0.54 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.70 2b95 h PRO 47 CO 0.10 0.20 -1.31 1.15 -0.23 0.00 0.00 178.00 177.92 2b95 h THR 48 N 0.00 1.29 0.00 1.56 2.02 -1.91 -3.04 112.91 112.83 2b95 h THR 48 Ca -0.00 -2.60 -0.00 0.00 0.77 0.00 0.00 66.41 64.58 2b95 h THR 48 Cb 0.65 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 2b95 h THR 48 CO 0.03 0.78 -0.00 0.74 0.37 0.00 0.00 175.52 177.43 2b95 h THR 49 N -0.06 1.64 -0.37 3.16 2.02 -0.44 -2.96 112.91 115.89 2b95 h THR 49 Ca -0.24 -2.18 0.10 0.00 0.77 0.00 0.00 66.41 64.86 2b95 h THR 49 Cb 1.97 3.07 -0.02 0.00 -1.74 0.00 0.00 68.15 71.43 2b95 h THR 49 CO 0.21 0.55 0.26 0.74 0.37 0.00 0.00 175.52 177.65 2b95 h THR 50 N -0.98 0.83 0.08 3.16 2.02 -0.90 -0.14 112.91 116.99 2b95 h THR 50 Ca -0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2b95 h THR 50 Cb 0.90 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2b95 h THR 50 CO 0.00 0.01 -0.04 -0.61 0.37 0.00 0.00 175.52 175.25 2b95 h GLN 51 N 0.03 -0.11 -0.82 6.66 4.15 -1.62 -3.21 115.11 120.19 2b95 h GLN 51 Ca 0.17 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.62 2b95 h GLN 51 Cb 0.65 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 2b95 h GLN 51 CO -0.01 0.42 0.54 1.88 -1.93 0.00 0.00 178.83 179.74 2b95 h TYR 52 N -0.77 1.02 -0.29 3.99 -1.99 -1.25 0.27 116.97 117.95 2b95 h TYR 52 Ca -0.01 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.81 2b95 h TYR 52 Cb 0.58 -0.34 -0.07 0.00 2.00 0.00 0.00 36.73 38.90 2b95 h TYR 52 CO 0.12 0.63 -0.22 0.00 -0.00 0.00 0.00 178.16 178.68 2b95 h ALA 53 N 1.50 -0.05 0.06 3.88 0.00 -1.10 0.27 119.26 123.82 2b95 h ALA 53 Ca 0.31 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 2b95 h ALA 53 Cb -0.08 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2b95 h ALA 53 CO -0.08 -0.63 -0.50 0.77 0.00 0.00 0.00 179.25 178.82 2b95 h SER 54 N -0.20 0.34 -1.00 0.00 0.02 -1.49 -1.97 113.55 109.25 2b95 h SER 54 Ca 0.15 -0.89 0.20 0.00 -0.84 0.00 0.00 61.79 60.42 2b95 h SER 54 Cb 0.44 -0.11 -0.11 0.00 0.14 0.00 0.00 62.40 62.76 2b95 h SER 54 CO -0.41 1.20 0.61 0.25 -1.14 0.00 0.00 176.83 177.34 2b95 h LEU 55 N -0.47 0.75 0.12 5.07 7.12 -0.30 0.34 115.31 127.93 2b95 h LEU 55 Ca -0.08 0.10 -0.16 0.00 0.13 0.00 0.00 57.88 57.87 2b95 h LEU 55 Cb 1.33 -0.03 0.02 0.00 -0.53 0.00 0.00 40.66 41.44 2b95 h LEU 55 CO 0.10 0.24 -0.70 0.24 -0.13 0.00 0.00 178.44 178.19 2b95 h MET 56 N 0.71 0.27 -0.88 1.25 2.86 -0.53 -2.78 114.93 115.82 2b95 h MET 56 Ca 0.59 -0.44 0.16 0.00 -2.06 0.00 0.00 59.70 57.94 2b95 h MET 56 Cb 0.98 0.16 -0.10 0.00 0.06 0.00 0.00 31.60 32.71 2b95 h MET 56 CO -0.39 1.20 0.47 1.25 1.06 0.00 0.00 176.91 180.51 2b95 h HIS 57 N -0.43 0.82 0.00 -0.22 -0.00 -0.51 0.16 115.15 114.98 2b95 h HIS 57 Ca -0.12 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.18 2b95 h HIS 57 Cb 1.54 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.70 2b95 h HIS 57 CO 0.20 0.19 -0.49 1.03 -0.00 0.00 0.00 177.93 178.86 2b95 h SER 58 N 0.65 0.00 0.51 3.26 0.87 -1.07 -3.22 113.55 114.54 2b95 h SER 58 Ca 0.49 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 2b95 h SER 58 Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2b95 h SER 58 CO -0.37 0.49 -0.24 0.15 -0.53 0.00 0.00 176.83 176.33 2b95 h PHE 59 N 0.00 -0.63 -0.89 2.24 3.04 -0.42 -2.16 116.94 118.12 2b95 h PHE 59 Ca -0.00 -0.01 0.14 0.00 3.98 0.00 0.00 57.97 62.07 2b95 h PHE 59 Cb 1.23 0.21 -0.09 0.00 2.56 0.00 0.00 35.95 39.86 2b95 h PHE 59 CO 0.00 -0.31 0.50 0.82 -2.02 0.00 0.00 178.31 177.31 2b95 h ILE 60 N -0.92 0.80 0.00 1.41 1.08 -1.41 0.26 117.51 118.73 2b95 h ILE 60 Ca -0.07 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.12 2b95 h ILE 60 Cb 0.60 -0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.34 2b95 h ILE 60 CO 0.11 0.14 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.50 2b95 h LEU 61 N 0.74 0.00 0.08 1.44 4.07 -1.55 0.24 115.31 120.33 2b95 h LEU 61 Ca 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.43 2b95 h LEU 61 Cb 0.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 2b95 h LEU 61 CO -0.32 0.14 -0.04 0.11 -1.08 0.00 0.00 178.44 177.25 2b95 h LYS 62 N 0.00 -0.10 -0.16 1.13 6.56 0.17 -2.70 116.57 121.47 2b95 h LYS 62 Ca -0.00 0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 2b95 h LYS 62 Cb 0.38 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2b95 h LYS 62 CO 0.02 0.45 -0.15 0.00 -2.06 0.00 0.00 179.45 177.71 2b95 h ALA 63 N -0.17 0.24 -0.12 3.86 0.00 -1.24 -2.72 119.26 119.11 2b95 h ALA 63 Ca -0.01 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2b95 h ALA 63 Cb 0.60 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2b95 h ALA 63 CO 0.02 0.12 0.10 -0.09 0.00 0.00 0.00 179.25 179.39 2b95 h ARG 64 N 0.03 0.00 0.00 0.00 2.43 -0.67 0.46 114.38 116.63 2b95 h ARG 64 Ca 0.03 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 2b95 h ARG 64 Cb 0.67 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2b95 h ARG 64 CO 0.04 0.00 -0.73 1.03 -1.51 0.00 0.00 179.97 178.80 2b95 h SER 65 N 0.00 0.00 0.78 -3.80 0.87 -1.33 -3.27 113.55 106.81 2b95 h SER 65 Ca 0.05 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.37 2b95 h SER 65 Cb 0.25 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2b95 h SER 65 CO -0.00 0.73 -1.27 0.74 -0.53 0.00 0.00 176.83 176.50 2b95 h THR 66 N 0.00 1.40 -1.00 2.23 2.02 -0.69 -3.33 112.91 113.54 2b95 h THR 66 Ca -0.01 -3.14 0.19 0.00 0.77 0.00 0.00 66.41 64.22 2b95 h THR 66 Cb 1.52 2.72 -0.11 0.00 -1.74 0.00 0.00 68.15 70.54 2b95 h THR 66 CO 0.09 0.82 0.61 0.58 0.37 0.00 0.00 175.52 177.99 2b95 h VAL 67 N 0.01 0.69 -0.76 3.16 2.07 -1.06 0.25 116.25 120.62 2b95 h VAL 67 Ca -0.12 -0.26 0.22 0.00 0.82 0.00 0.00 66.70 67.37 2b95 h VAL 67 Cb 1.87 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2b95 h VAL 67 CO 0.12 0.14 0.56 0.08 0.02 0.00 0.00 177.57 178.49 2b95 h ARG 68 N 0.75 0.00 0.10 1.57 0.11 -1.70 0.29 114.38 115.50 2b95 h ARG 68 Ca 0.58 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 60.40 2b95 h ARG 68 Cb 0.93 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.01 2b95 h ARG 68 CO -0.38 0.00 -1.18 0.22 0.10 0.00 0.00 179.97 178.73 2b95 h ASP 69 N 0.00 0.36 -0.19 0.08 3.58 -0.73 -3.31 116.42 116.20 2b95 h ASP 69 Ca 0.36 -0.38 -0.19 0.00 0.42 0.00 0.00 57.03 57.25 2b95 h ASP 69 Cb 1.48 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2b95 h ASP 69 CO -0.00 1.28 -0.58 0.40 -2.88 0.00 0.00 179.24 177.46 2b95 h ILE 70 N 0.07 1.29 -4.00 2.25 2.04 -0.37 -3.46 117.51 115.33 2b95 h ILE 70 Ca -0.11 -1.78 -0.11 0.00 1.00 0.00 0.00 64.86 63.87 2b95 h ILE 70 Cb 1.90 1.70 -0.14 0.00 -0.74 0.00 0.00 36.82 39.54 2b95 h ILE 70 CO 0.19 0.57 -0.48 -1.81 0.00 0.00 0.00 178.15 176.62 2b95 s ASP 71 N -6.96 0.24 0.48 1.72 1.11 -0.06 -5.04 116.67 108.15 2b95 s ASP 71 Ca -0.10 -0.82 0.26 0.00 0.18 0.00 0.00 52.55 52.07 2b95 s ASP 71 Cb 0.10 0.30 1.12 0.00 1.07 0.00 0.00 42.92 45.51 2b95 s ASP 71 CO 0.88 -0.71 1.91 1.55 1.18 0.00 0.00 175.17 179.98 2b95 h PRO 72 N 2.86 0.00 0.00 8.23 0.13 -1.86 -3.37 132.00 137.99 2b95 h PRO 72 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2b95 h PRO 72 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2b95 h PRO 72 CO 0.59 0.17 0.00 1.04 -0.23 0.00 0.00 178.00 179.57 2b95 n GLN 73 N -3.39 0.00 -1.32 0.86 6.02 -1.26 -5.01 117.38 113.28 2b95 n GLN 73 Ca -0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.16 2b95 n GLN 73 Cb 0.37 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.58 2b95 n GLN 73 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2b95 n ASN 74 N -1.65 -7.73 -3.54 1.08 4.05 -1.26 -4.83 115.26 101.37 2b95 n ASN 74 Ca 0.00 0.66 -0.06 0.00 0.45 0.00 0.00 54.58 55.63 2b95 n ASN 74 Cb 0.00 -4.12 -0.07 0.00 1.23 0.00 0.00 39.78 36.82 2b95 n ASN 74 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2b95 s ASP 75 N -6.60 -0.47 0.25 1.20 2.15 -1.26 -5.13 116.67 106.81 2b95 s ASP 75 Ca 0.00 0.95 -0.30 0.00 0.43 0.00 0.00 52.55 53.64 2b95 s ASP 75 Cb 0.00 1.60 -0.09 0.00 -0.30 0.00 0.00 42.92 44.12 2b95 s ASP 75 CO 0.00 -0.25 1.14 -0.76 -0.17 0.00 0.00 175.17 175.13 2b95 s LEU 76 N 2.69 4.51 0.00 -1.34 2.01 -1.26 -4.92 118.68 120.37 2b95 s LEU 76 Ca 0.03 2.28 0.00 0.00 0.01 0.00 0.00 54.13 56.45 2b95 s LEU 76 Cb -0.13 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.45 2b95 s LEU 76 CO -0.16 -0.23 0.62 1.07 1.01 0.00 0.00 176.35 178.66 2b95 n THR 77 N 1.56 0.00 -3.65 5.49 5.66 -1.26 -4.80 114.28 117.29 2b95 n THR 77 Ca 0.01 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.99 2b95 n THR 77 Cb 0.45 0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 69.80 2b95 n THR 77 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2b95 s PHE 78 N 0.00 -0.02 -0.29 1.09 2.19 -1.26 -4.87 117.98 114.81 2b95 s PHE 78 Ca 0.00 0.05 0.05 0.00 0.33 0.00 0.00 56.93 57.36 2b95 s PHE 78 Cb 0.00 0.49 0.19 0.00 -1.31 0.00 0.00 43.02 42.40 2b95 s PHE 78 CO 0.00 -0.02 0.57 -1.17 1.83 0.00 0.00 175.22 176.43 2b95 s LEU 79 N -0.44 -1.52 0.37 6.12 2.96 0.86 -4.94 118.68 122.09 2b95 s LEU 79 Ca 0.08 0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.25 2b95 s LEU 79 Cb -0.03 1.94 -0.07 0.00 0.50 0.00 0.00 46.19 48.53 2b95 s LEU 79 CO -0.13 -0.30 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.46 2b95 s ARG 80 N 2.80 1.96 -0.36 1.98 0.52 -1.26 -1.24 118.95 123.35 2b95 s ARG 80 Ca 0.11 -1.94 0.03 0.00 -0.52 0.00 0.00 55.73 53.40 2b95 s ARG 80 Cb -0.11 -1.76 0.15 0.00 0.52 0.00 0.00 34.95 33.76 2b95 s ARG 80 CO -0.26 0.05 0.37 0.96 0.02 0.00 0.00 175.30 176.44 2b95 s ILE 81 N -2.62 -0.35 -0.05 1.52 -4.36 -1.25 -5.02 121.20 109.07 2b95 s ILE 81 Ca 0.35 -0.91 -0.29 0.00 -0.26 0.00 0.00 60.65 59.53 2b95 s ILE 81 Cb 0.04 -0.73 -0.07 0.00 1.25 0.00 0.00 42.46 42.96 2b95 s ILE 81 CO 0.18 -0.56 1.91 -0.60 0.24 0.00 0.00 174.94 176.11 2b95 s ARG 82 N 1.58 3.94 0.00 0.37 3.00 -1.26 -4.26 118.95 122.33 2b95 s ARG 82 Ca 0.16 2.33 0.00 0.00 -1.00 0.00 0.00 55.73 57.21 2b95 s ARG 82 Cb -0.15 -4.15 0.00 0.00 0.00 0.00 0.00 34.95 30.65 2b95 s ARG 82 CO -0.08 -1.16 0.00 0.43 0.00 0.00 0.00 175.30 174.49 2b95 n SER 83 N 8.25 1.78 0.02 -2.12 7.64 -1.25 -5.06 113.62 122.88 2b95 n SER 83 Ca 0.21 -0.98 0.02 0.00 1.01 0.00 0.00 58.87 59.13 2b95 n SER 83 Cb 0.43 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 2b95 n SER 83 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2b95 n LYS 84 N -0.11 0.63 -0.08 1.43 5.02 -1.26 -4.39 118.16 119.40 2b95 n LYS 84 Ca 0.00 0.12 -0.16 0.00 -2.02 0.00 0.00 58.31 56.25 2b95 n LYS 84 Cb 0.00 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.16 2b95 n LYS 84 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2b95 h LYS 85 N 0.00 0.00 -1.33 1.97 1.57 -1.99 -3.50 116.57 113.29 2b95 h LYS 85 Ca -0.16 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 58.92 2b95 h LYS 85 Cb 1.50 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.64 2b95 h LYS 85 CO 0.03 0.94 0.87 0.54 -0.57 0.00 0.00 179.45 181.26 2b95 s ASN 86 N -6.40 -0.07 0.11 0.86 4.22 -1.26 -4.81 114.94 107.59 2b95 s ASN 86 Ca -0.21 -0.04 -0.13 0.00 -2.14 0.00 0.00 52.86 50.33 2b95 s ASN 86 Cb 0.00 0.11 -0.06 0.00 1.28 0.00 0.00 41.25 42.57 2b95 s ASN 86 CO 0.62 -0.18 0.50 -0.70 -2.04 0.00 0.00 177.10 175.30 2b95 s GLU 87 N -2.30 3.92 -0.33 3.55 2.12 0.07 -3.85 118.70 121.89 2b95 s GLU 87 Ca 0.12 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.86 2b95 s GLU 87 Cb 0.02 -2.99 0.10 0.00 0.26 0.00 0.00 34.13 31.52 2b95 s GLU 87 CO -0.04 0.53 0.11 0.42 -0.54 0.00 0.00 175.26 175.73 2b95 s ILE 88 N -1.40 1.12 -0.05 -3.70 1.09 -1.26 -2.08 121.20 114.92 2b95 s ILE 88 Ca 0.35 -1.65 -0.30 0.00 -1.10 0.00 0.00 60.65 57.95 2b95 s ILE 88 Cb -0.15 -1.84 -0.03 0.00 -1.06 0.00 0.00 42.46 39.38 2b95 s ILE 88 CO 0.18 -0.69 1.15 -0.04 -0.10 0.00 0.00 174.94 175.45 2b95 s MET 89 N 1.39 4.38 -0.03 2.79 -1.94 -0.35 -3.91 119.30 121.63 2b95 s MET 89 Ca 0.11 1.61 -0.01 0.00 -1.71 0.00 0.00 55.69 55.69 2b95 s MET 89 Cb -0.18 -3.53 0.02 0.00 2.01 0.00 0.00 34.83 33.15 2b95 s MET 89 CO -0.20 -0.39 0.06 0.08 -0.01 0.00 0.00 175.02 174.56 2b95 s VAL 90 N 2.03 -0.04 0.08 -6.03 1.01 -0.38 -1.25 120.40 115.83 2b95 s VAL 90 Ca 0.54 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.47 2b95 s VAL 90 Cb -0.24 -0.11 0.05 0.00 0.00 0.00 0.00 36.38 36.08 2b95 s VAL 90 CO 0.22 0.06 0.47 0.00 0.00 0.00 0.00 175.10 175.85 2b95 s ALA 91 N 0.76 -1.17 -0.59 5.51 0.00 -1.23 -0.10 121.76 124.93 2b95 s ALA 91 Ca -0.06 0.33 -0.27 0.00 0.00 0.00 0.00 51.96 51.96 2b95 s ALA 91 Cb -0.09 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 2b95 s ALA 91 CO -0.03 -0.57 1.85 -1.25 0.00 0.00 0.00 175.76 175.77 2b95 s PRO 92 N -3.02 2.68 0.00 0.00 0.04 -1.26 -3.52 135.00 129.91 2b95 s PRO 92 Ca -0.02 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2b95 s PRO 92 Cb 0.00 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.17 2b95 s PRO 92 CO -0.06 -2.67 0.00 -3.47 0.04 0.00 0.00 177.00 170.84 2b95 n ASP 93 N 12.58 -0.36 -0.10 6.66 2.03 0.36 -4.93 116.55 132.78 2b95 n ASP 93 Ca 0.21 -0.64 -0.06 0.00 0.52 0.00 0.00 54.79 54.81 2b95 n ASP 93 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 2b95 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2b95 h LYS 94 N 0.00 -0.16 0.00 -0.67 1.57 -2.02 -3.36 116.57 111.92 2b95 h LYS 94 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2b95 h LYS 94 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2b95 h LYS 94 CO 0.00 -0.11 -0.17 -0.40 -0.57 0.00 0.00 179.45 178.20 2b95 n ASP 95 N -5.38 0.00 -3.68 0.86 5.75 -1.26 -5.13 116.55 107.71 2b95 n ASP 95 Ca 0.01 -1.35 -0.14 0.00 -0.01 0.00 0.00 54.79 53.31 2b95 n ASP 95 Cb 0.29 -0.07 -0.07 0.00 -1.03 0.00 0.00 41.12 40.24 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2b95 s TYR 96 N 0.00 1.12 -0.38 2.11 1.13 -1.26 -2.53 117.35 117.55 2b95 s TYR 96 Ca 0.00 -1.30 -0.02 0.00 -1.41 0.00 0.00 57.07 54.34 2b95 s TYR 96 Cb 0.00 -0.31 0.09 0.00 -1.10 0.00 0.00 41.96 40.64 2b95 s TYR 96 CO 0.00 -0.91 0.15 -0.06 -2.51 0.00 0.00 175.55 172.22 2b95 s PHE 97 N -3.63 3.52 0.27 -3.49 0.08 0.97 -0.49 117.98 115.21 2b95 s PHE 97 Ca 0.34 -2.31 -0.29 0.00 0.12 0.00 0.00 56.93 54.79 2b95 s PHE 97 Cb 0.02 -2.94 -0.09 0.00 -0.57 0.00 0.00 43.02 39.44 2b95 s PHE 97 CO 0.17 -0.93 1.12 -1.17 -0.10 0.00 0.00 175.22 174.32 2b95 s LEU 98 N 1.16 4.54 -0.17 -0.37 0.20 -1.23 -3.30 118.68 119.51 2b95 s LEU 98 Ca 0.05 2.29 -0.02 0.00 0.69 0.00 0.00 54.13 57.14 2b95 s LEU 98 Cb -0.22 -3.63 0.05 0.00 -0.43 0.00 0.00 46.19 41.97 2b95 s LEU 98 CO -0.04 -0.18 0.00 -0.63 -0.29 0.00 0.00 176.35 175.21 2b95 s ILE 99 N -1.06 0.72 -0.31 6.68 1.01 -0.26 -3.57 121.20 124.40 2b95 s ILE 99 Ca 0.45 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 2b95 s ILE 99 Cb -0.32 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.09 2b95 s ILE 99 CO 0.41 -0.05 0.09 -0.69 0.00 0.00 0.00 174.94 174.70 2b95 s VAL 100 N 1.79 3.89 -0.19 2.92 1.01 -0.38 -1.29 120.40 128.14 2b95 s VAL 100 Ca -0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 2b95 s VAL 100 Cb -0.16 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2b95 s VAL 100 CO -0.07 -0.02 0.06 -0.63 0.00 0.00 0.00 175.10 174.43 2b95 s ILE 101 N 1.46 4.68 0.12 2.22 1.01 -1.15 -1.21 121.20 128.33 2b95 s ILE 101 Ca 0.01 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.34 2b95 s ILE 101 Cb -0.18 -3.12 0.08 0.00 0.01 0.00 0.00 42.46 39.25 2b95 s ILE 101 CO 0.03 0.45 1.07 0.00 0.00 0.00 0.00 174.94 176.48 2b95 s GLN 102 N 0.52 1.04 0.97 2.79 -2.07 -0.88 -0.13 119.66 121.91 2b95 s GLN 102 Ca 0.03 -0.62 -0.14 0.00 -1.82 0.00 0.00 55.36 52.81 2b95 s GLN 102 Cb -0.13 0.33 0.03 0.00 -1.09 0.00 0.00 33.01 32.15 2b95 s GLN 102 CO 0.01 -0.48 0.29 0.09 -1.32 0.00 0.00 175.29 173.88 2b95 n ASN 103 N -0.75 -2.34 -4.77 12.60 3.02 -0.61 -0.75 115.26 121.65 2b95 n ASN 103 Ca -0.05 0.27 -0.35 0.00 -0.03 0.00 0.00 54.58 54.42 2b95 n ASN 103 Cb 0.61 -1.15 -0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2b95 n ASN 103 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2b95 s PRO 104 N -3.52 3.43 -0.10 3.52 0.04 -1.26 -4.19 135.00 132.91 2b95 s PRO 104 Ca 0.56 1.64 0.03 0.00 0.04 0.00 0.00 61.00 63.26 2b95 s PRO 104 Cb -0.20 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 2b95 s PRO 104 CO 0.68 -0.79 -0.06 0.25 0.04 0.00 0.00 177.00 177.11 2b95 n THR 105 N -1.16 0.62 -0.27 1.26 -2.24 -1.26 -5.00 114.28 106.22 2b95 n THR 105 Ca 0.11 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2b95 n THR 105 Cb 0.50 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71