#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 1.71 -0.26 -5.12 0.00 -2.05 -1.29 119.26 112.25 2b95 h ALA 12 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 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 -0.06 -0.15 1.49 0.00 0.00 0.00 179.25 180.53 2b95 h GLU 13 N 0.76 -0.12 -0.44 0.00 4.81 -2.06 0.27 114.58 117.79 2b95 h GLU 13 Ca 0.56 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.74 2b95 h GLU 13 Cb 0.87 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 2b95 h GLU 13 CO -0.34 -0.08 0.04 0.28 -0.73 0.00 0.00 179.01 178.18 2b95 h VAL 14 N -0.13 1.22 -0.45 0.32 2.07 -1.71 -2.76 116.25 114.81 2b95 h VAL 14 Ca 0.14 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 2b95 h VAL 14 Cb 0.34 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2b95 h VAL 14 CO -0.34 0.31 -0.02 -0.33 0.02 0.00 0.00 177.57 177.21 2b95 h GLU 15 N 0.67 0.82 -0.50 1.57 5.08 -0.51 -0.80 114.58 120.92 2b95 h GLU 15 Ca 0.14 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2b95 h GLU 15 Cb 0.36 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2b95 h GLU 15 CO 0.01 0.88 0.33 1.49 -1.00 0.00 0.00 179.01 180.72 2b95 h GLU 16 N 0.66 0.65 0.00 2.33 4.81 -0.27 0.62 114.58 123.38 2b95 h GLU 16 Ca 0.13 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 2b95 h GLU 16 Cb 0.53 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2b95 h GLU 16 CO 0.03 0.43 -0.85 1.15 -0.73 0.00 0.00 179.01 179.04 2b95 h THR 17 N 0.67 1.29 -0.04 0.32 2.02 -1.26 -3.26 112.91 112.65 2b95 h THR 17 Ca 0.18 -2.85 -0.18 0.00 0.77 0.00 0.00 66.41 64.34 2b95 h THR 17 Cb -0.07 2.63 0.01 0.00 -1.74 0.00 0.00 68.15 68.98 2b95 h THR 17 CO -0.04 0.73 -0.66 -0.07 0.37 0.00 0.00 175.52 175.85 2b95 h LEU 18 N 0.00 0.65 -0.22 2.58 4.07 -0.24 -2.19 115.31 119.96 2b95 h LEU 18 Ca -0.03 -0.71 0.05 0.00 0.08 0.00 0.00 57.88 57.27 2b95 h LEU 18 Cb 1.62 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 43.11 2b95 h LEU 18 CO 0.10 1.27 -0.11 0.11 -1.08 0.00 0.00 178.44 178.73 2b95 h LYS 19 N 0.09 -0.09 -0.21 1.13 6.56 -1.01 0.23 116.57 123.27 2b95 h LYS 19 Ca -0.07 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.49 2b95 h LYS 19 Cb 1.34 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.01 2b95 h LYS 19 CO 0.13 -0.06 0.01 -0.09 -2.06 0.00 0.00 179.45 177.38 2b95 h ARG 20 N -0.09 0.36 -0.50 3.15 9.65 -1.64 -3.10 114.38 122.20 2b95 h ARG 20 Ca 0.12 -0.11 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 2b95 h ARG 20 Cb 0.27 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.76 2b95 h ARG 20 CO -0.27 0.54 0.19 -0.07 2.80 0.00 0.00 179.97 183.16 2b95 h LEU 21 N 0.13 0.22 -2.07 3.80 4.07 -1.03 0.41 115.31 120.84 2b95 h LEU 21 Ca 0.06 0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.18 2b95 h LEU 21 Cb 0.38 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2b95 h LEU 21 CO 0.01 0.15 0.34 -0.61 -1.08 0.00 0.00 178.44 177.26 2b95 h GLN 22 N 0.38 0.00 0.00 1.13 5.75 -0.48 0.17 115.11 122.05 2b95 h GLN 22 Ca 0.23 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.56 2b95 h GLN 22 Cb 0.23 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 2b95 h GLN 22 CO -0.22 0.00 -1.33 1.03 -2.65 0.00 0.00 178.83 175.66 2b95 h SER 23 N 0.00 0.00 -2.78 -0.69 0.87 -0.92 -3.48 113.55 106.55 2b95 h SER 23 Ca 0.17 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.33 2b95 h SER 23 Cb 0.86 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 63.03 2b95 h SER 23 CO -0.00 0.61 -0.33 0.00 -0.53 0.00 0.00 176.83 176.58 2b95 n GLN 24 N -2.95 -2.91 -3.77 2.24 6.02 0.59 -4.97 117.38 111.62 2b95 n GLN 24 Ca -0.09 -0.84 -0.35 0.00 -0.01 0.00 0.00 57.00 55.72 2b95 n GLN 24 Cb 0.85 -1.94 -0.11 0.00 1.02 0.00 0.00 30.24 30.06 2b95 n GLN 24 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2b95 s LYS 25 N -4.24 2.46 0.00 -1.09 2.20 -1.26 -4.53 119.74 113.29 2b95 s LYS 25 Ca 0.63 -2.62 0.00 0.00 -0.36 0.00 0.00 55.97 53.62 2b95 s LYS 25 Cb -0.18 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2b95 s LYS 25 CO 0.61 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 2b95 n GLY 26 N 3.29 0.35 3.70 5.54 0.00 -1.26 -4.97 105.19 111.84 2b95 n GLY 26 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 3.62 -0.11 1.61 1.01 -1.26 -0.85 120.40 124.42 2b95 s VAL 27 Ca 0.00 1.11 0.13 0.00 0.00 0.00 0.00 61.98 63.22 2b95 s VAL 27 Cb 0.00 -3.71 -0.24 0.00 0.00 0.00 0.00 36.38 32.43 2b95 s VAL 27 CO 0.00 0.05 0.39 0.00 0.00 0.00 0.00 175.10 175.55 2b95 n GLN 28 N 4.50 0.66 0.00 2.72 3.00 0.81 -4.93 117.38 124.14 2b95 n GLN 28 Ca 0.12 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 2b95 n GLN 28 Cb 0.44 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 29.00 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 1.68 3.57 3.72 1.08 0.00 -1.18 -4.92 105.19 109.15 2b95 n GLY 29 Ca -0.25 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.42 4.44 0.02 -0.61 1.09 -1.26 -2.51 121.20 121.95 2b95 s ILE 30 Ca 0.00 -0.40 0.03 0.00 -1.10 0.00 0.00 60.65 59.18 2b95 s ILE 30 Cb 0.00 -2.96 -0.01 0.00 -1.06 0.00 0.00 42.46 38.43 2b95 s ILE 30 CO 0.00 0.45 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.57 2b95 s ILE 31 N -1.06 0.71 -0.24 2.92 1.01 0.86 -2.93 121.20 122.47 2b95 s ILE 31 Ca 0.18 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2b95 s ILE 31 Cb -0.12 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 41.76 2b95 s ILE 31 CO 0.09 -0.02 -0.05 -0.69 0.00 0.00 0.00 174.94 174.26 2b95 s VAL 32 N -0.67 1.63 -0.09 2.92 1.01 0.90 -1.04 120.40 125.06 2b95 s VAL 32 Ca -0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 2b95 s VAL 32 Cb -0.06 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2b95 s VAL 32 CO 0.00 -0.13 -0.02 -0.69 0.00 0.00 0.00 175.10 174.26 2b95 s VAL 33 N 1.34 4.11 0.29 2.92 1.01 -1.07 -0.06 120.40 128.94 2b95 s VAL 33 Ca -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 2b95 s VAL 33 Cb -0.19 -2.72 0.06 0.00 0.00 0.00 0.00 36.38 33.52 2b95 s VAL 33 CO -0.07 0.59 0.39 -0.46 0.00 0.00 0.00 175.10 175.56 2b95 n ASN 34 N 2.30 0.52 -0.22 3.32 0.23 -0.76 -0.03 115.26 120.63 2b95 n ASN 34 Ca -0.18 -1.44 -0.06 0.00 -0.53 0.00 0.00 54.58 52.37 2b95 n ASN 34 Cb 0.53 -0.26 0.09 0.00 -2.08 0.00 0.00 39.78 38.07 2b95 n ASN 34 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 2b95 h THR 35 N -0.48 1.25 0.00 5.53 1.35 -1.86 -2.19 112.91 116.51 2b95 h THR 35 Ca -0.13 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 64.79 2b95 h THR 35 Cb 0.48 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2b95 h THR 35 CO 0.14 0.36 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.38 2b95 h GLU 36 N 1.00 0.00 0.00 4.72 4.39 -1.94 -3.45 114.58 119.29 2b95 h GLU 36 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2b95 h GLU 36 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2b95 h GLU 36 CO 0.00 0.05 0.00 0.41 -1.16 0.00 0.00 179.01 178.31 2b95 n GLY 37 N -1.00 0.88 3.75 -3.84 0.00 -0.82 -5.09 105.19 99.07 2b95 n GLY 37 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 5.22 -1.14 -0.61 1.01 -1.26 -4.79 121.20 117.63 2b95 s ILE 38 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 60.65 61.16 2b95 s ILE 38 Cb 0.00 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.68 2b95 s ILE 38 CO 0.00 0.40 1.94 -2.16 0.00 0.00 0.00 174.94 175.12 2b95 s PRO 39 N 0.22 2.50 0.38 2.79 0.04 -1.26 -1.82 135.00 137.84 2b95 s PRO 39 Ca 0.21 -1.04 0.16 0.00 0.04 0.00 0.00 61.00 60.37 2b95 s PRO 39 Cb -0.14 -5.22 1.03 0.00 0.04 0.00 0.00 34.50 30.22 2b95 s PRO 39 CO 0.08 -3.90 1.77 -0.84 0.04 0.00 0.00 177.00 174.14 2b95 h ILE 40 N 6.34 0.55 -3.94 0.56 3.07 -0.82 -3.40 117.51 119.87 2b95 h ILE 40 Ca 0.20 -0.16 -0.43 0.00 1.55 0.00 0.00 64.86 66.03 2b95 h ILE 40 Cb 0.95 0.05 -0.30 0.00 -0.27 0.00 0.00 36.82 37.25 2b95 h ILE 40 CO 1.22 0.08 -0.79 -0.54 -1.05 0.00 0.00 178.15 177.08 2b95 s LYS 41 N -5.57 0.93 -0.19 0.16 -0.14 -0.93 -5.00 119.74 109.00 2b95 s LYS 41 Ca -0.09 -0.34 -0.14 0.00 -1.36 0.00 0.00 55.97 54.03 2b95 s LYS 41 Cb 0.25 -0.87 0.05 0.00 -1.68 0.00 0.00 37.83 35.58 2b95 s LYS 41 CO 0.80 0.17 0.48 0.45 -0.76 0.00 0.00 175.35 176.49 2b95 s SER 42 N -0.01 -0.56 0.00 2.83 0.15 -1.26 -0.07 113.70 114.78 2b95 s SER 42 Ca 0.00 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2b95 s SER 42 Cb -0.06 0.97 0.00 0.00 -1.71 0.00 0.00 66.02 65.21 2b95 s SER 42 CO 0.00 -0.19 0.13 1.07 1.20 0.00 0.00 173.24 175.46 2b95 n THR 43 N 3.46 0.00 -1.95 6.45 5.66 -1.15 -5.05 114.28 121.70 2b95 n THR 43 Ca -0.17 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 2b95 n THR 43 Cb 0.56 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.37 2b95 n THR 43 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2b95 n MET 44 N -0.65 1.13 -1.95 1.09 1.56 -1.26 -4.92 117.12 112.11 2b95 n MET 44 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 57.70 57.05 2b95 n MET 44 Cb 0.01 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.40 2b95 n MET 44 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2b95 s ASP 45 N -1.00 5.56 0.10 6.12 1.01 -1.26 -4.81 116.67 122.39 2b95 s ASP 45 Ca 0.00 2.60 -0.31 0.00 0.71 0.00 0.00 52.55 55.55 2b95 s ASP 45 Cb 0.00 -2.62 -0.12 0.00 1.01 0.00 0.00 42.92 41.18 2b95 s ASP 45 CO 0.00 -1.36 1.61 -1.13 0.21 0.00 0.00 175.17 174.50 2b95 h ASN 46 N 1.63 -1.02 0.75 0.27 -0.00 -1.99 0.26 115.58 115.48 2b95 h ASN 46 Ca -0.50 0.10 -0.05 0.00 -0.00 0.00 0.00 56.30 55.84 2b95 h ASN 46 Cb 1.28 0.35 -0.01 0.00 -0.00 0.00 0.00 38.32 39.95 2b95 h ASN 46 CO 0.58 -0.50 -0.23 1.55 -0.00 0.00 0.00 177.43 178.83 2b95 h PRO 47 N -0.72 0.00 -0.02 6.67 0.13 -1.99 -1.41 132.00 134.66 2b95 h PRO 47 Ca -0.01 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.88 2b95 h PRO 47 Cb 0.67 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.82 2b95 h PRO 47 CO -0.10 0.23 -0.93 1.15 -0.23 0.00 0.00 178.00 178.11 2b95 h THR 48 N 0.00 1.30 0.04 1.56 2.02 -1.81 -3.10 112.91 112.93 2b95 h THR 48 Ca -0.00 -2.18 -0.27 0.00 0.77 0.00 0.00 66.41 64.72 2b95 h THR 48 Cb 0.67 2.37 0.02 0.00 -1.74 0.00 0.00 68.15 69.47 2b95 h THR 48 CO 0.03 0.67 -1.11 0.74 0.37 0.00 0.00 175.52 176.22 2b95 h THR 49 N 0.32 1.29 -0.66 3.16 2.02 -0.42 -2.49 112.91 116.13 2b95 h THR 49 Ca -0.11 -2.34 0.09 0.00 0.77 0.00 0.00 66.41 64.81 2b95 h THR 49 Cb 1.59 2.49 -0.07 0.00 -1.74 0.00 0.00 68.15 70.43 2b95 h THR 49 CO 0.18 0.72 0.32 0.74 0.37 0.00 0.00 175.52 177.85 2b95 h THR 50 N 0.34 0.85 -0.03 3.16 2.02 -1.35 0.24 112.91 118.14 2b95 h THR 50 Ca -0.14 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2b95 h THR 50 Cb 1.76 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2b95 h THR 50 CO 0.21 0.10 -0.11 -0.61 0.37 0.00 0.00 175.52 175.48 2b95 h GLN 51 N 0.55 0.12 -0.01 6.66 -0.00 -1.61 -2.90 115.11 117.93 2b95 h GLN 51 Ca 0.32 -0.10 0.03 0.00 -0.00 0.00 0.00 58.65 58.91 2b95 h GLN 51 Cb 0.34 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.80 2b95 h GLN 51 CO -0.26 0.74 -0.21 1.88 0.00 0.00 0.00 178.83 180.98 2b95 h TYR 52 N -0.47 -0.56 0.00 3.99 -1.99 -1.13 0.36 116.97 117.16 2b95 h TYR 52 Ca -0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2b95 h TYR 52 Cb 0.76 0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.74 2b95 h TYR 52 CO 0.15 -0.30 0.00 0.00 -0.00 0.00 0.00 178.16 178.01 2b95 h ALA 53 N 0.56 1.00 0.00 3.88 0.00 -0.63 0.33 119.26 124.40 2b95 h ALA 53 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2b95 h ALA 53 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2b95 h ALA 53 CO -0.20 0.00 -0.00 1.03 0.00 0.00 0.00 179.25 180.08 2b95 h SER 54 N 0.00 -0.00 1.48 0.00 0.87 -0.72 -3.11 113.55 112.07 2b95 h SER 54 Ca 0.00 -0.70 -0.07 0.00 -1.23 0.00 0.00 61.79 59.80 2b95 h SER 54 Cb 0.03 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2b95 h SER 54 CO 0.00 0.70 -0.54 0.17 -0.53 0.00 0.00 176.83 176.63 2b95 h LEU 55 N -0.71 0.00 -0.80 2.23 8.10 -0.93 -3.30 115.31 119.91 2b95 h LEU 55 Ca -0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 2b95 h LEU 55 Cb 0.70 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.88 2b95 h LEU 55 CO 0.00 0.28 0.32 0.24 -4.11 0.00 0.00 178.44 175.17 2b95 h MET 56 N 0.00 1.19 0.19 0.17 2.86 -0.44 0.25 114.93 119.15 2b95 h MET 56 Ca -0.02 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 2b95 h MET 56 Cb 1.23 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.70 2b95 h MET 56 CO 0.03 0.96 -0.09 1.25 1.06 0.00 0.00 176.91 180.12 2b95 h HIS 57 N 1.16 -0.24 0.00 -0.22 -0.00 -1.62 -3.03 115.15 111.19 2b95 h HIS 57 Ca 0.27 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 2b95 h HIS 57 Cb 0.22 0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.70 2b95 h HIS 57 CO 0.02 0.11 -0.12 1.03 -0.00 0.00 0.00 177.93 178.97 2b95 h SER 58 N -0.64 0.00 0.66 3.26 0.87 -1.62 -3.08 113.55 113.00 2b95 h SER 58 Ca -0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2b95 h SER 58 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2b95 h SER 58 CO 0.04 0.12 -0.35 0.15 -0.53 0.00 0.00 176.83 176.27 2b95 h PHE 59 N 0.00 -0.91 -0.49 2.24 3.57 -0.39 0.24 116.94 121.20 2b95 h PHE 59 Ca -0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 2b95 h PHE 59 Cb 0.39 0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 2b95 h PHE 59 CO 0.00 -0.55 0.08 0.82 -2.23 0.00 0.00 178.31 176.43 2b95 h ILE 60 N -0.93 0.70 0.00 1.41 1.08 -1.47 0.99 117.51 119.30 2b95 h ILE 60 Ca -0.09 -0.07 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 2b95 h ILE 60 Cb 0.73 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 2b95 h ILE 60 CO 0.13 0.04 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.37 2b95 h LEU 61 N 0.21 0.00 0.12 1.44 4.07 -1.52 -0.12 115.31 119.51 2b95 h LEU 61 Ca 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 2b95 h LEU 61 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2b95 h LEU 61 CO -0.34 0.18 -0.06 0.50 -1.08 0.00 0.00 178.44 177.65 2b95 h LYS 62 N 0.00 -0.15 0.00 1.13 1.63 0.19 -2.67 116.57 116.69 2b95 h LYS 62 Ca -0.00 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 2b95 h LYS 62 Cb 0.48 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.14 2b95 h LYS 62 CO 0.02 0.31 -0.29 0.00 -3.45 0.00 0.00 179.45 176.05 2b95 h ALA 63 N -0.02 1.03 -0.41 5.00 0.00 -1.08 -3.09 119.26 120.70 2b95 h ALA 63 Ca -0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2b95 h ALA 63 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2b95 h ALA 63 CO 0.03 0.36 -0.17 -0.09 0.00 0.00 0.00 179.25 179.38 2b95 h ARG 64 N 0.00 0.84 0.00 0.00 2.43 -1.04 -1.22 114.38 115.40 2b95 h ARG 64 Ca -0.00 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 2b95 h ARG 64 Cb 0.80 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2b95 h ARG 64 CO 0.04 0.99 -0.05 1.03 -1.51 0.00 0.00 179.97 180.47 2b95 h SER 65 N 0.66 0.00 0.00 -3.80 0.87 -1.38 -1.94 113.55 107.95 2b95 h SER 65 Ca 0.10 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2b95 h SER 65 Cb 0.72 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2b95 h SER 65 CO 0.05 0.05 -0.37 0.74 -0.53 0.00 0.00 176.83 176.77 2b95 h THR 66 N 0.00 1.41 -0.66 2.23 2.02 -1.54 -3.29 112.91 113.08 2b95 h THR 66 Ca -0.00 -2.20 0.12 0.00 0.77 0.00 0.00 66.41 65.10 2b95 h THR 66 Cb 0.10 2.81 -0.09 0.00 -1.74 0.00 0.00 68.15 69.22 2b95 h THR 66 CO 0.01 0.48 0.19 0.58 0.37 0.00 0.00 175.52 177.15 2b95 h VAL 67 N -1.00 0.65 -0.12 3.16 2.07 -1.05 0.21 116.25 120.17 2b95 h VAL 67 Ca -0.10 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2b95 h VAL 67 Cb 1.02 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2b95 h VAL 67 CO -0.06 0.06 0.09 0.08 0.02 0.00 0.00 177.57 177.76 2b95 h ARG 68 N 0.33 0.00 -0.72 1.57 0.11 -1.51 -1.50 114.38 112.66 2b95 h ARG 68 Ca 0.35 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.39 2b95 h ARG 68 Cb 0.53 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.58 2b95 h ARG 68 CO -0.40 0.00 0.26 0.22 0.10 0.00 0.00 179.97 180.15 2b95 h ASP 69 N 0.00 1.02 -0.61 0.08 3.58 -0.64 -2.92 116.42 116.92 2b95 h ASP 69 Ca 0.06 -0.19 0.12 0.00 0.42 0.00 0.00 57.03 57.43 2b95 h ASP 69 Cb 0.24 -0.27 -0.09 0.00 1.72 0.00 0.00 39.33 40.94 2b95 h ASP 69 CO -0.00 0.93 0.13 0.40 -2.88 0.00 0.00 179.24 177.82 2b95 h ILE 70 N 1.05 0.63 -2.51 2.25 2.04 -1.15 -3.45 117.51 116.37 2b95 h ILE 70 Ca 0.24 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 66.08 2b95 h ILE 70 Cb 0.25 0.35 -0.14 0.00 -0.74 0.00 0.00 36.82 36.54 2b95 h ILE 70 CO -0.01 0.05 0.41 -1.81 0.00 0.00 0.00 178.15 176.78 2b95 s ASP 71 N -5.30 -0.42 0.51 1.72 1.01 -1.10 -5.03 116.67 108.06 2b95 s ASP 71 Ca -0.13 -0.03 0.29 0.00 0.71 0.00 0.00 52.55 53.40 2b95 s ASP 71 Cb 0.18 0.46 1.24 0.00 1.01 0.00 0.00 42.92 45.80 2b95 s ASP 71 CO 0.74 -0.75 1.95 1.55 0.21 0.00 0.00 175.17 178.87 2b95 h PRO 72 N 2.00 0.00 -4.56 8.23 0.13 -1.88 -3.41 132.00 132.51 2b95 h PRO 72 Ca -0.26 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.17 2b95 h PRO 72 Cb 1.26 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 2b95 h PRO 72 CO 0.33 0.10 -0.54 -0.65 -0.23 0.00 0.00 178.00 177.01 2b95 s GLN 73 N -3.74 2.59 -0.28 0.86 -0.21 -1.26 -5.04 119.66 112.58 2b95 s GLN 73 Ca 0.00 -1.33 -0.38 0.00 0.02 0.00 0.00 55.36 53.67 2b95 s GLN 73 Cb 0.10 -3.63 0.16 0.00 1.00 0.00 0.00 33.01 30.64 2b95 s GLN 73 CO 0.58 -0.82 1.36 -0.80 -2.12 0.00 0.00 175.29 173.50 2b95 s ASN 74 N 1.74 -0.03 -0.28 5.90 0.01 -1.26 -5.10 114.94 115.92 2b95 s ASN 74 Ca 0.01 0.00 -0.17 0.00 -0.71 0.00 0.00 52.86 52.00 2b95 s ASN 74 Cb -0.21 0.03 0.11 0.00 0.41 0.00 0.00 41.25 41.58 2b95 s ASN 74 CO 0.02 -0.05 0.81 -0.62 -1.51 0.00 0.00 177.10 175.76 2b95 s ASP 75 N -2.02 -0.76 0.05 -1.22 -1.08 -1.26 -4.99 116.67 105.40 2b95 s ASP 75 Ca 0.11 1.23 -0.30 0.00 -0.52 0.00 0.00 52.55 53.07 2b95 s ASP 75 Cb -0.01 1.31 -0.05 0.00 -1.46 0.00 0.00 42.92 42.71 2b95 s ASP 75 CO -0.03 -0.20 1.02 -0.76 0.52 0.00 0.00 175.17 175.73 2b95 s LEU 76 N 1.41 4.41 -0.02 -1.34 2.01 -1.26 -4.91 118.68 118.97 2b95 s LEU 76 Ca -0.09 1.79 0.04 0.00 0.01 0.00 0.00 54.13 55.88 2b95 s LEU 76 Cb -0.04 -3.58 0.05 0.00 0.01 0.00 0.00 46.19 42.63 2b95 s LEU 76 CO -0.17 -0.25 0.88 0.35 1.01 0.00 0.00 176.35 178.18 2b95 n THR 77 N 3.51 0.51 -3.48 5.49 -2.24 -1.26 -4.76 114.28 112.06 2b95 n THR 77 Ca 0.05 -0.58 0.03 0.00 -2.27 0.00 0.00 64.05 61.28 2b95 n THR 77 Cb 0.49 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 2b95 n THR 77 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2b95 s PHE 78 N -0.70 -0.03 -0.30 4.78 0.08 -1.26 -4.75 117.98 115.81 2b95 s PHE 78 Ca 0.06 0.05 -0.01 0.00 0.12 0.00 0.00 56.93 57.15 2b95 s PHE 78 Cb 0.05 0.02 0.10 0.00 -0.57 0.00 0.00 43.02 42.62 2b95 s PHE 78 CO 0.01 -0.01 0.09 -0.51 -0.10 0.00 0.00 175.22 174.70 2b95 s LEU 79 N 1.37 2.06 0.06 -0.37 1.02 0.93 -5.00 118.68 118.75 2b95 s LEU 79 Ca -0.05 -1.56 0.05 0.00 0.02 0.00 0.00 54.13 52.60 2b95 s LEU 79 Cb -0.01 -0.82 -0.04 0.00 0.02 0.00 0.00 46.19 45.34 2b95 s LEU 79 CO -0.12 -0.41 -0.08 -0.13 0.02 0.00 0.00 176.35 175.64 2b95 s ARG 80 N 1.66 2.35 -0.35 1.70 0.52 -1.26 -1.14 118.95 122.43 2b95 s ARG 80 Ca 0.09 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 2b95 s ARG 80 Cb -0.17 -2.41 0.14 0.00 0.52 0.00 0.00 34.95 33.03 2b95 s ARG 80 CO -0.25 0.55 0.27 0.42 0.02 0.00 0.00 175.30 176.31 2b95 s ILE 81 N -1.12 -0.08 0.08 1.52 1.01 -1.24 -5.01 121.20 116.36 2b95 s ILE 81 Ca 0.20 -1.33 -0.31 0.00 0.00 0.00 0.00 60.65 59.21 2b95 s ILE 81 Cb -0.11 -0.93 -0.08 0.00 0.01 0.00 0.00 42.46 41.35 2b95 s ILE 81 CO 0.11 -0.80 1.48 -0.60 0.00 0.00 0.00 174.94 175.14 2b95 s ARG 82 N 1.33 4.26 0.15 2.79 3.00 -1.26 -3.10 118.95 126.12 2b95 s ARG 82 Ca 0.17 2.15 0.06 0.00 -1.00 0.00 0.00 55.73 57.10 2b95 s ARG 82 Cb -0.19 -3.42 -0.04 0.00 0.00 0.00 0.00 34.95 31.30 2b95 s ARG 82 CO -0.04 -0.57 -0.12 -1.12 0.00 0.00 0.00 175.30 173.44 2b95 s SER 83 N 1.66 2.03 0.58 -2.12 0.01 -1.03 -4.97 113.70 109.87 2b95 s SER 83 Ca 0.67 -0.95 0.28 0.00 1.31 0.00 0.00 55.95 57.26 2b95 s SER 83 Cb -0.37 -0.06 1.56 0.00 0.21 0.00 0.00 66.02 67.36 2b95 s SER 83 CO 0.30 -0.24 2.03 0.11 0.41 0.00 0.00 173.24 175.84 2b95 h LYS 84 N 2.94 0.00 0.00 12.44 1.57 -2.03 -2.29 116.57 129.20 2b95 h LYS 84 Ca -0.38 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.25 2b95 h LYS 84 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 2b95 h LYS 84 CO 0.59 0.00 -0.82 0.87 -0.57 0.00 0.00 179.45 179.52 2b95 h LYS 85 N 0.00 0.01 -1.08 3.15 1.79 -1.99 -3.50 116.57 114.94 2b95 h LYS 85 Ca 0.14 -0.01 0.37 0.00 -2.18 0.00 0.00 60.65 58.98 2b95 h LYS 85 Cb 0.76 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.26 2b95 h LYS 85 CO -0.00 1.00 0.97 0.54 -1.08 0.00 0.00 179.45 180.88 2b95 s ASN 86 N -6.64 -0.01 -0.12 0.86 4.22 -0.86 -4.80 114.94 107.59 2b95 s ASN 86 Ca -0.25 -0.02 -0.15 0.00 -2.14 0.00 0.00 52.86 50.30 2b95 s ASN 86 Cb 0.03 0.03 -0.05 0.00 1.28 0.00 0.00 41.25 42.54 2b95 s ASN 86 CO 0.63 -0.05 0.35 -0.70 -2.04 0.00 0.00 177.10 175.30 2b95 s GLU 87 N -2.07 4.18 -0.53 3.55 2.12 0.85 -2.45 118.70 124.35 2b95 s GLU 87 Ca 0.14 0.23 -0.12 0.00 0.36 0.00 0.00 54.97 55.59 2b95 s GLU 87 Cb 0.05 -3.38 0.13 0.00 0.26 0.00 0.00 34.13 31.20 2b95 s GLU 87 CO -0.05 0.33 0.43 0.42 -0.54 0.00 0.00 175.26 175.85 2b95 s ILE 88 N 0.15 4.64 0.05 -3.70 1.01 -1.18 -1.71 121.20 120.47 2b95 s ILE 88 Ca 0.20 -1.78 -0.30 0.00 0.00 0.00 0.00 60.65 58.76 2b95 s ILE 88 Cb -0.14 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 2b95 s ILE 88 CO 0.07 -0.83 1.17 -0.32 0.00 0.00 0.00 174.94 175.03 2b95 s MET 89 N 1.30 4.45 -0.16 2.79 1.75 0.85 -3.62 119.30 126.66 2b95 s MET 89 Ca 0.06 1.72 -0.04 0.00 -1.25 0.00 0.00 55.69 56.18 2b95 s MET 89 Cb -0.26 -3.37 0.08 0.00 2.84 0.00 0.00 34.83 34.12 2b95 s MET 89 CO -0.00 -0.24 0.21 0.08 -0.65 0.00 0.00 175.02 174.42 2b95 s VAL 90 N 1.09 -0.32 0.04 10.11 1.01 -0.29 -0.74 120.40 131.30 2b95 s VAL 90 Ca 0.58 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.66 2b95 s VAL 90 Cb -0.28 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 2b95 s VAL 90 CO 0.29 -0.06 -0.09 0.00 0.00 0.00 0.00 175.10 175.24 2b95 s ALA 91 N 2.33 0.71 0.41 5.51 0.00 -1.13 -0.05 121.76 129.54 2b95 s ALA 91 Ca 0.05 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 2b95 s ALA 91 Cb -0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.87 2b95 s ALA 91 CO -0.10 0.05 1.18 -1.25 0.00 0.00 0.00 175.76 175.65 2b95 s PRO 92 N -1.34 3.99 0.00 0.00 0.04 -1.26 -2.43 135.00 133.99 2b95 s PRO 92 Ca -0.06 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2b95 s PRO 92 Cb -0.09 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2b95 s PRO 92 CO 0.01 -0.38 0.00 -3.47 0.04 0.00 0.00 177.00 173.19 2b95 n ASP 93 N -0.02 1.70 -0.08 6.66 -0.08 0.02 -4.91 116.55 119.84 2b95 n ASP 93 Ca 0.05 -0.91 -0.07 0.00 -1.51 0.00 0.00 54.79 52.35 2b95 n ASP 93 Cb 0.46 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.92 2b95 n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2b95 h LYS 94 N 0.00 -0.18 0.00 -0.67 1.57 -2.02 -3.37 116.57 111.90 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 -0.12 -0.18 -0.40 -0.57 0.00 0.00 179.45 178.18 2b95 n ASP 95 N -5.38 0.00 -3.44 0.86 5.68 -1.26 -5.13 116.55 107.88 2b95 n ASP 95 Ca 0.01 -1.35 -0.17 0.00 -0.50 0.00 0.00 54.79 52.78 2b95 n ASP 95 Cb 0.29 -0.07 -0.07 0.00 -1.14 0.00 0.00 41.12 40.13 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2b95 s TYR 96 N 0.00 1.40 -0.12 2.11 1.13 -1.26 -2.81 117.35 117.80 2b95 s TYR 96 Ca 0.00 -1.47 0.03 0.00 -1.41 0.00 0.00 57.07 54.21 2b95 s TYR 96 Cb 0.00 -0.45 0.01 0.00 -1.10 0.00 0.00 41.96 40.42 2b95 s TYR 96 CO 0.00 -0.94 -0.21 -0.06 -2.51 0.00 0.00 175.55 171.83 2b95 s PHE 97 N -3.42 2.53 -0.39 -3.49 0.08 0.96 -0.80 117.98 113.46 2b95 s PHE 97 Ca 0.36 -1.21 -0.20 0.00 0.12 0.00 0.00 56.93 56.01 2b95 s PHE 97 Cb 0.02 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 2b95 s PHE 97 CO 0.23 -0.54 0.62 -1.17 -0.10 0.00 0.00 175.22 174.25 2b95 s LEU 98 N 0.72 4.36 -0.41 -0.37 1.98 -1.02 -2.60 118.68 121.34 2b95 s LEU 98 Ca -0.10 -0.06 -0.06 0.00 -2.89 0.00 0.00 54.13 51.02 2b95 s LEU 98 Cb -0.16 -2.73 0.09 0.00 0.66 0.00 0.00 46.19 44.05 2b95 s LEU 98 CO 0.01 -0.64 0.23 -0.63 -1.89 0.00 0.00 176.35 173.42 2b95 s ILE 99 N 2.70 3.78 -0.28 6.68 1.09 -0.21 -2.83 121.20 132.13 2b95 s ILE 99 Ca 0.23 -1.68 -0.03 0.00 -1.10 0.00 0.00 60.65 58.07 2b95 s ILE 99 Cb -0.14 -3.42 0.03 0.00 -1.06 0.00 0.00 42.46 37.87 2b95 s ILE 99 CO 0.16 -0.57 -0.01 -0.69 -0.10 0.00 0.00 174.94 173.72 2b95 s VAL 100 N 1.30 3.09 -0.11 2.92 1.01 0.08 -0.10 120.40 128.59 2b95 s VAL 100 Ca 0.04 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 2b95 s VAL 100 Cb -0.23 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 2b95 s VAL 100 CO -0.01 0.05 0.09 -0.63 0.00 0.00 0.00 175.10 174.60 2b95 s ILE 101 N 1.32 5.04 0.10 2.22 1.01 -1.04 -0.11 121.20 129.75 2b95 s ILE 101 Ca -0.02 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.40 2b95 s ILE 101 Cb -0.18 -3.18 0.08 0.00 0.01 0.00 0.00 42.46 39.19 2b95 s ILE 101 CO -0.02 0.60 1.05 0.00 0.00 0.00 0.00 174.94 176.57 2b95 s GLN 102 N -0.87 0.97 0.96 2.79 -2.07 -0.69 -0.13 119.66 120.62 2b95 s GLN 102 Ca 0.14 -0.53 -0.13 0.00 -1.82 0.00 0.00 55.36 53.01 2b95 s GLN 102 Cb -0.12 0.33 0.05 0.00 -1.09 0.00 0.00 33.01 32.18 2b95 s GLN 102 CO 0.03 -0.44 0.41 0.09 -1.32 0.00 0.00 175.29 174.05 2b95 n ASN 103 N -0.47 -2.02 -4.77 12.60 3.02 -0.03 -0.11 115.26 123.49 2b95 n ASN 103 Ca -0.07 0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 54.42 2b95 n ASN 103 Cb 0.61 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 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 -3.67 3.36 -0.12 3.52 0.04 -1.26 -4.33 135.00 132.54 2b95 s PRO 104 Ca 0.57 1.61 0.05 0.00 0.04 0.00 0.00 61.00 63.28 2b95 s PRO 104 Cb -0.20 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.21 2b95 s PRO 104 CO 0.67 -0.84 -0.04 0.25 0.04 0.00 0.00 177.00 177.08 2b95 n THR 105 N -1.29 0.75 0.00 1.26 -2.24 -1.26 -5.02 114.28 106.48 2b95 n THR 105 Ca 0.12 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2b95 n THR 105 Cb 0.51 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2b95 n THR 105 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88