#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 1.52 -0.22 -5.12 0.00 -2.05 -1.66 119.26 111.73 2b95 h ALA 12 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2b95 h ALA 12 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2b95 h ALA 12 CO 0.00 0.07 -0.17 0.93 0.00 0.00 0.00 179.25 180.08 2b95 h GLU 13 N 0.85 -0.17 -0.50 0.00 5.08 -2.06 0.93 114.58 118.71 2b95 h GLU 13 Ca 0.52 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.85 2b95 h GLU 13 Cb 0.66 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2b95 h GLU 13 CO -0.32 -0.11 0.13 0.28 -1.00 0.00 0.00 179.01 177.99 2b95 h VAL 14 N -0.17 1.21 -0.57 3.13 2.07 -1.77 -2.47 116.25 117.66 2b95 h VAL 14 Ca 0.13 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 2b95 h VAL 14 Cb 0.37 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2b95 h VAL 14 CO -0.33 0.27 0.07 -0.33 0.02 0.00 0.00 177.57 177.27 2b95 h GLU 15 N 0.72 0.94 -0.31 1.57 5.08 -0.43 -0.41 114.58 121.74 2b95 h GLU 15 Ca 0.16 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 2b95 h GLU 15 Cb 0.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2b95 h GLU 15 CO -0.00 0.89 -0.21 1.49 -1.00 0.00 0.00 179.01 180.18 2b95 h GLU 16 N 0.88 0.59 0.00 2.33 4.81 -0.44 -2.72 114.58 120.03 2b95 h GLU 16 Ca 0.18 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 2b95 h GLU 16 Cb 0.43 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2b95 h GLU 16 CO 0.01 0.76 -0.46 1.15 -0.73 0.00 0.00 179.01 179.74 2b95 h THR 17 N 0.52 0.83 -0.55 0.32 2.02 -1.13 -3.25 112.91 111.67 2b95 h THR 17 Ca 0.08 -2.05 -0.10 0.00 0.77 0.00 0.00 66.41 65.12 2b95 h THR 17 Cb 0.65 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 2b95 h THR 17 CO 0.05 0.45 -0.04 -0.07 0.37 0.00 0.00 175.52 176.28 2b95 h LEU 18 N 0.00 0.95 0.11 2.58 4.07 -0.77 -0.78 115.31 121.48 2b95 h LEU 18 Ca -0.00 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 2b95 h LEU 18 Cb 1.28 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.77 2b95 h LEU 18 CO 0.06 1.03 -0.05 0.11 -1.08 0.00 0.00 178.44 178.51 2b95 h LYS 19 N 0.88 -0.14 -0.61 1.13 6.56 -1.56 0.92 116.57 123.75 2b95 h LYS 19 Ca 0.15 0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.67 2b95 h LYS 19 Cb 0.57 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.24 2b95 h LYS 19 CO 0.03 -0.07 0.06 -0.09 -2.06 0.00 0.00 179.45 177.32 2b95 h ARG 20 N -0.17 1.02 0.26 3.15 9.65 -1.63 -1.46 114.38 125.19 2b95 h ARG 20 Ca -0.02 -0.28 -0.01 0.00 -1.10 0.00 0.00 59.98 58.57 2b95 h ARG 20 Cb 0.13 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2b95 h ARG 20 CO 0.02 0.96 -0.12 -0.07 2.80 0.00 0.00 179.97 183.56 2b95 h LEU 21 N 0.95 -0.29 -0.82 3.80 4.07 -0.91 -1.17 115.31 120.94 2b95 h LEU 21 Ca 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2b95 h LEU 21 Cb 0.46 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2b95 h LEU 21 CO 0.02 -0.09 0.00 1.67 -1.08 0.00 0.00 178.44 178.96 2b95 n GLN 22 N -5.18 0.16 0.07 1.13 7.27 0.30 -1.78 117.38 119.34 2b95 n GLN 22 Ca -0.10 0.47 0.02 0.00 0.07 0.00 0.00 57.00 57.47 2b95 n GLN 22 Cb 0.20 -1.86 -0.05 0.00 2.41 0.00 0.00 30.24 30.95 2b95 n GLN 22 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2b95 h SER 23 N 0.00 0.00 -3.06 1.69 0.02 -0.69 -3.47 113.55 108.04 2b95 h SER 23 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2b95 h SER 23 Cb 0.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2b95 h SER 23 CO 0.00 0.48 -0.24 0.00 -1.14 0.00 0.00 176.83 175.92 2b95 s GLN 24 N -3.00 3.59 0.11 3.45 -2.07 -0.49 -5.07 119.66 116.18 2b95 s GLN 24 Ca -0.01 -0.14 -0.30 0.00 -1.82 0.00 0.00 55.36 53.09 2b95 s GLN 24 Cb 0.08 -2.75 -0.06 0.00 -1.09 0.00 0.00 33.01 29.19 2b95 s GLN 24 CO 0.79 0.33 1.01 0.21 -1.32 0.00 0.00 175.29 176.31 2b95 s LYS 25 N -3.30 4.65 0.00 9.60 2.20 -1.26 -3.96 119.74 127.66 2b95 s LYS 25 Ca 0.41 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 2b95 s LYS 25 Cb -0.11 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 2b95 s LYS 25 CO 0.28 0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.81 2b95 n GLY 26 N 2.34 3.56 3.76 5.54 0.00 -1.26 -5.03 105.19 114.10 2b95 n GLY 26 Ca 0.03 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 2.00 -0.07 1.61 1.01 -1.25 -1.95 120.40 121.75 2b95 s VAL 27 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2b95 s VAL 27 Cb 0.00 -3.00 -0.08 0.00 0.00 0.00 0.00 36.38 33.30 2b95 s VAL 27 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 175.10 175.12 2b95 n GLN 28 N -0.36 2.86 0.00 2.72 6.02 0.84 -4.91 117.38 124.56 2b95 n GLN 28 Ca 0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2b95 n GLN 28 Cb 0.42 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.51 2b95 n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2b95 n GLY 29 N 2.59 3.14 3.20 1.08 0.00 -1.14 -4.83 105.19 109.23 2b95 n GLY 29 Ca -0.11 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.18 2.33 0.04 -0.61 1.09 -1.26 -1.52 121.20 120.08 2b95 s ILE 30 Ca 0.00 -0.88 0.08 0.00 -1.10 0.00 0.00 60.65 58.75 2b95 s ILE 30 Cb 0.00 -1.96 -0.02 0.00 -1.06 0.00 0.00 42.46 39.41 2b95 s ILE 30 CO 0.00 0.53 -0.22 -0.63 -0.10 0.00 0.00 174.94 174.52 2b95 s ILE 31 N 0.93 1.78 -0.11 2.92 1.01 0.85 -3.21 121.20 125.38 2b95 s ILE 31 Ca -0.04 -1.20 0.01 0.00 0.00 0.00 0.00 60.65 59.42 2b95 s ILE 31 Cb -0.15 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.81 2b95 s ILE 31 CO -0.03 0.28 -0.12 -0.69 0.00 0.00 0.00 174.94 174.38 2b95 s VAL 32 N -0.76 1.28 -0.09 2.92 1.01 0.85 -0.70 120.40 124.92 2b95 s VAL 32 Ca 0.09 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.59 2b95 s VAL 32 Cb -0.09 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2b95 s VAL 32 CO 0.01 0.40 -0.16 -0.69 0.00 0.00 0.00 175.10 174.67 2b95 s VAL 33 N 1.20 2.88 0.42 2.92 1.01 -1.08 -0.91 120.40 126.85 2b95 s VAL 33 Ca -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 2b95 s VAL 33 Cb -0.14 -2.15 0.09 0.00 0.00 0.00 0.00 36.38 34.18 2b95 s VAL 33 CO -0.04 0.56 0.58 -0.46 0.00 0.00 0.00 175.10 175.74 2b95 n ASN 34 N 2.94 0.35 -0.29 3.32 0.23 -1.00 -0.06 115.26 120.75 2b95 n ASN 34 Ca -0.18 -1.39 -0.03 0.00 -0.53 0.00 0.00 54.58 52.45 2b95 n ASN 34 Cb 0.52 -0.41 0.08 0.00 -2.08 0.00 0.00 39.78 37.89 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 -0.95 1.16 -0.14 5.53 1.35 -1.79 -1.66 112.91 116.42 2b95 h THR 35 Ca -0.19 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.31 2b95 h THR 35 Cb 0.59 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 2b95 h THR 35 CO 0.16 0.19 0.03 -0.33 -0.25 0.00 0.00 175.52 175.32 2b95 h GLU 36 N 1.03 0.19 0.00 4.72 5.08 -1.94 -3.46 114.58 120.20 2b95 h GLU 36 Ca 0.30 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2b95 h GLU 36 Cb -0.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2b95 h GLU 36 CO -0.09 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 2b95 n GLY 37 N -1.35 1.24 3.75 -3.84 0.00 -0.62 -5.10 105.19 99.27 2b95 n GLY 37 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 5.18 -1.13 -0.61 1.01 -1.26 -4.80 121.20 117.59 2b95 s ILE 38 Ca 0.00 0.81 -0.23 0.00 0.00 0.00 0.00 60.65 61.23 2b95 s ILE 38 Cb 0.00 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 2b95 s ILE 38 CO 0.00 0.41 1.93 -0.81 0.00 0.00 0.00 174.94 176.47 2b95 n PRO 39 N 3.14 1.58 -0.28 2.79 -0.04 -1.26 -2.39 135.00 138.54 2b95 n PRO 39 Ca -0.10 -2.39 0.22 0.00 -0.04 0.00 0.00 63.50 61.19 2b95 n PRO 39 Cb 0.52 -3.63 0.54 0.00 -0.04 0.00 0.00 33.50 30.89 2b95 n PRO 39 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2b95 h ILE 40 N 5.94 0.58 -3.67 0.52 3.07 -1.40 -3.41 117.51 119.15 2b95 h ILE 40 Ca 0.24 -0.12 -0.21 0.00 1.55 0.00 0.00 64.86 66.33 2b95 h ILE 40 Cb 0.90 0.20 -0.26 0.00 -0.27 0.00 0.00 36.82 37.39 2b95 h ILE 40 CO 1.32 0.06 -0.66 -0.75 -1.05 0.00 0.00 178.15 177.08 2b95 s LYS 41 N -5.40 0.12 -0.20 0.16 2.20 -1.14 -4.99 119.74 110.48 2b95 s LYS 41 Ca -0.08 -0.06 -0.28 0.00 -0.36 0.00 0.00 55.97 55.18 2b95 s LYS 41 Cb 0.24 0.05 0.12 0.00 -1.51 0.00 0.00 37.83 36.73 2b95 s LYS 41 CO 0.79 -0.02 0.97 0.45 -0.36 0.00 0.00 175.35 177.18 2b95 s SER 42 N -0.28 -0.45 0.00 1.43 0.15 -1.26 -0.10 113.70 113.19 2b95 s SER 42 Ca -0.03 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2b95 s SER 42 Cb -0.02 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2b95 s SER 42 CO -0.00 -0.29 0.25 0.35 1.20 0.00 0.00 173.24 174.75 2b95 n THR 43 N 1.39 0.00 -1.29 6.45 -2.24 -1.20 -5.01 114.28 112.37 2b95 n THR 43 Ca -0.12 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 2b95 n THR 43 Cb 0.57 1.19 0.09 0.00 -2.10 0.00 0.00 70.33 70.08 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 -0.22 -0.75 -1.25 -0.78 2.81 -1.26 -4.94 117.12 110.72 2b95 n MET 44 Ca 0.00 -0.85 -0.29 0.00 -1.81 0.00 0.00 57.70 54.75 2b95 n MET 44 Cb 0.05 -0.60 0.19 0.00 -0.71 0.00 0.00 33.22 32.15 2b95 n MET 44 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2b95 s ASP 45 N -3.01 2.36 0.04 7.83 -1.08 -1.26 -4.76 116.67 116.80 2b95 s ASP 45 Ca 0.32 0.96 -0.31 0.00 -0.52 0.00 0.00 52.55 52.99 2b95 s ASP 45 Cb -0.01 -1.48 -0.18 0.00 -1.46 0.00 0.00 42.92 39.79 2b95 s ASP 45 CO 0.22 -3.27 1.43 -1.13 0.52 0.00 0.00 175.17 172.95 2b95 h ASN 46 N -1.99 -0.81 0.72 -0.34 -0.00 -1.99 0.63 115.58 111.80 2b95 h ASN 46 Ca -0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 55.74 2b95 h ASN 46 Cb 1.32 0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 39.84 2b95 h ASN 46 CO 0.52 -0.51 -0.25 1.55 -0.00 0.00 0.00 177.43 178.75 2b95 h PRO 47 N -1.08 0.00 0.01 6.67 0.13 -1.99 -2.19 132.00 133.55 2b95 h PRO 47 Ca -0.10 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.83 2b95 h PRO 47 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 2b95 h PRO 47 CO 0.16 0.25 -0.95 1.15 -0.23 0.00 0.00 178.00 178.39 2b95 h THR 48 N 0.00 1.64 0.00 1.56 2.02 -1.91 -3.09 112.91 113.13 2b95 h THR 48 Ca -0.00 -3.11 -0.00 0.00 0.77 0.00 0.00 66.41 64.06 2b95 h THR 48 Cb 0.68 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 2b95 h THR 48 CO 0.03 0.89 -0.00 0.74 0.37 0.00 0.00 175.52 177.55 2b95 h THR 49 N 0.02 1.74 -0.69 3.16 2.02 -0.67 -2.83 112.91 115.65 2b95 h THR 49 Ca -0.02 -2.21 0.14 0.00 0.77 0.00 0.00 66.41 65.08 2b95 h THR 49 Cb 1.65 3.24 -0.04 0.00 -1.74 0.00 0.00 68.15 71.26 2b95 h THR 49 CO 0.13 0.57 0.46 0.74 0.37 0.00 0.00 175.52 177.79 2b95 h THR 50 N -0.95 0.81 0.12 3.16 2.02 -1.53 0.10 112.91 116.65 2b95 h THR 50 Ca -0.00 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2b95 h THR 50 Cb 0.94 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2b95 h THR 50 CO 0.00 0.07 -0.06 -0.61 0.37 0.00 0.00 175.52 175.29 2b95 h GLN 51 N 0.36 -0.15 -0.44 6.66 -0.00 -1.62 -3.23 115.11 116.68 2b95 h GLN 51 Ca 0.33 0.01 0.04 0.00 -0.00 0.00 0.00 58.65 59.03 2b95 h GLN 51 Cb 0.79 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.28 2b95 h GLN 51 CO -0.09 0.33 0.29 1.88 0.00 0.00 0.00 178.83 181.24 2b95 h TYR 52 N -0.81 0.43 0.14 3.99 0.05 -1.17 0.29 116.97 119.89 2b95 h TYR 52 Ca -0.02 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.79 2b95 h TYR 52 Cb 0.56 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 2b95 h TYR 52 CO 0.10 0.25 -0.35 0.00 -1.05 0.00 0.00 178.16 177.11 2b95 h ALA 53 N 1.75 -0.63 0.06 3.88 0.00 -0.85 0.25 119.26 123.73 2b95 h ALA 53 Ca 0.18 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2b95 h ALA 53 Cb 0.16 0.58 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2b95 h ALA 53 CO -0.04 -0.91 -0.57 0.77 0.00 0.00 0.00 179.25 178.49 2b95 h SER 54 N -0.60 0.39 0.01 0.00 0.02 -1.51 -2.85 113.55 109.02 2b95 h SER 54 Ca 0.02 -0.88 0.03 0.00 -0.84 0.00 0.00 61.79 60.13 2b95 h SER 54 Cb 0.62 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 2b95 h SER 54 CO -0.20 1.23 -0.41 0.25 -1.14 0.00 0.00 176.83 176.56 2b95 h LEU 55 N -0.39 -1.25 0.53 5.07 7.12 -0.40 0.28 115.31 126.26 2b95 h LEU 55 Ca -0.09 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 2b95 h LEU 55 Cb 1.38 0.49 -0.01 0.00 -0.53 0.00 0.00 40.66 41.99 2b95 h LEU 55 CO 0.11 -0.46 -0.36 0.24 -0.13 0.00 0.00 178.44 177.84 2b95 h MET 56 N -0.58 -0.83 -0.87 1.25 2.86 -0.64 0.15 114.93 116.27 2b95 h MET 56 Ca 0.04 0.06 0.24 0.00 -2.06 0.00 0.00 59.70 57.98 2b95 h MET 56 Cb 0.65 0.19 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 2b95 h MET 56 CO -0.31 -0.55 0.62 1.25 1.06 0.00 0.00 176.91 178.98 2b95 h HIS 57 N -0.86 0.10 0.01 -0.22 -0.00 -1.28 0.71 115.15 113.61 2b95 h HIS 57 Ca -0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.09 2b95 h HIS 57 Cb 0.71 -0.03 0.02 0.00 -0.00 0.00 0.00 27.41 28.11 2b95 h HIS 57 CO -0.13 0.02 -0.90 1.03 -0.00 0.00 0.00 177.93 177.95 2b95 h SER 58 N 0.07 0.77 0.12 3.26 0.87 0.36 -3.03 113.55 115.98 2b95 h SER 58 Ca 0.42 -0.76 0.02 0.00 -1.23 0.00 0.00 61.79 60.25 2b95 h SER 58 Cb 1.58 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 2b95 h SER 58 CO -0.04 1.43 -0.40 0.15 -0.53 0.00 0.00 176.83 177.44 2b95 h PHE 59 N 0.20 -1.12 -0.53 2.24 3.04 0.11 0.25 116.94 121.13 2b95 h PHE 59 Ca -0.12 0.03 0.07 0.00 3.98 0.00 0.00 57.97 61.93 2b95 h PHE 59 Cb 1.58 0.48 -0.06 0.00 2.56 0.00 0.00 35.95 40.51 2b95 h PHE 59 CO 0.12 -0.50 0.22 0.82 -2.02 0.00 0.00 178.31 176.95 2b95 h ILE 60 N -0.64 0.85 0.00 1.41 1.08 -1.59 0.50 117.51 119.12 2b95 h ILE 60 Ca 0.02 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 2b95 h ILE 60 Cb 0.66 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 2b95 h ILE 60 CO -0.23 0.08 -0.12 -0.07 -0.69 0.00 0.00 178.15 177.11 2b95 h LEU 61 N 0.42 0.00 0.05 1.44 4.07 -1.30 0.26 115.31 120.25 2b95 h LEU 61 Ca 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 2b95 h LEU 61 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2b95 h LEU 61 CO -0.23 0.12 -0.02 0.50 -1.08 0.00 0.00 178.44 177.72 2b95 h LYS 62 N 0.00 -0.06 -0.26 1.13 1.63 0.14 -3.05 116.57 116.10 2b95 h LYS 62 Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 2b95 h LYS 62 Cb 0.27 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2b95 h LYS 62 CO 0.02 0.54 0.02 0.00 -3.45 0.00 0.00 179.45 176.57 2b95 h ALA 63 N -0.24 0.34 -0.91 5.00 0.00 -0.85 -2.77 119.26 119.82 2b95 h ALA 63 Ca -0.01 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.85 2b95 h ALA 63 Cb 0.63 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2b95 h ALA 63 CO 0.01 0.06 0.59 -0.09 0.00 0.00 0.00 179.25 179.81 2b95 h ARG 64 N 0.23 0.66 0.00 0.00 2.43 -0.63 0.33 114.38 117.40 2b95 h ARG 64 Ca 0.07 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2b95 h ARG 64 Cb 0.38 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2b95 h ARG 64 CO 0.01 0.44 -0.36 1.03 -1.51 0.00 0.00 179.97 179.58 2b95 h SER 65 N 0.68 0.00 0.18 -3.80 0.87 -1.40 -3.19 113.55 106.90 2b95 h SER 65 Ca 0.47 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.73 2b95 h SER 65 Cb 0.79 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.76 2b95 h SER 65 CO -0.22 0.36 -1.40 0.74 -0.53 0.00 0.00 176.83 175.77 2b95 h THR 66 N 0.00 1.17 -0.90 2.23 2.02 -0.24 -3.32 112.91 113.87 2b95 h THR 66 Ca -0.00 -2.54 0.23 0.00 0.77 0.00 0.00 66.41 64.87 2b95 h THR 66 Cb 0.86 2.92 -0.06 0.00 -1.74 0.00 0.00 68.15 70.13 2b95 h THR 66 CO 0.05 0.78 0.61 0.58 0.37 0.00 0.00 175.52 177.91 2b95 h VAL 67 N -0.09 0.62 -0.90 3.16 2.07 -0.64 0.11 116.25 120.59 2b95 h VAL 67 Ca -0.27 -0.08 0.20 0.00 0.82 0.00 0.00 66.70 67.37 2b95 h VAL 67 Cb 1.94 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 32.01 2b95 h VAL 67 CO 0.17 0.04 0.60 0.03 0.02 0.00 0.00 177.57 178.43 2b95 h ARG 68 N 0.24 0.38 -0.35 1.57 3.08 -1.65 0.13 114.38 117.78 2b95 h ARG 68 Ca 0.45 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.34 2b95 h ARG 68 Cb 1.40 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 2b95 h ARG 68 CO -0.11 0.25 -0.34 0.22 -1.07 0.00 0.00 179.97 178.92 2b95 h ASP 69 N 0.39 0.81 -0.60 7.04 1.82 -0.98 -3.15 116.42 121.75 2b95 h ASP 69 Ca 0.47 -0.34 0.12 0.00 -0.39 0.00 0.00 57.03 56.88 2b95 h ASP 69 Cb 1.18 -0.23 -0.09 0.00 0.68 0.00 0.00 39.33 40.88 2b95 h ASP 69 CO -0.17 1.08 0.11 0.40 -1.61 0.00 0.00 179.24 179.05 2b95 h ILE 70 N 0.65 0.62 -1.06 2.25 1.08 -0.79 -3.46 117.51 116.80 2b95 h ILE 70 Ca 0.07 -0.08 0.33 0.00 -0.39 0.00 0.00 64.86 64.78 2b95 h ILE 70 Cb 0.88 0.36 -0.21 0.00 -3.07 0.00 0.00 36.82 34.78 2b95 h ILE 70 CO 0.08 0.04 0.98 -1.81 -0.69 0.00 0.00 178.15 176.75 2b95 s ASP 71 N -5.29 -0.02 0.01 1.72 1.11 -1.17 -5.06 116.67 107.98 2b95 s ASP 71 Ca -0.13 0.00 -0.23 0.00 0.18 0.00 0.00 52.55 52.37 2b95 s ASP 71 Cb 0.18 0.02 -0.17 0.00 1.07 0.00 0.00 42.92 44.02 2b95 s ASP 71 CO 0.74 -0.03 1.31 1.55 1.18 0.00 0.00 175.17 179.92 2b95 h PRO 72 N 2.00 0.21 -5.65 8.23 0.13 -1.90 -3.42 132.00 131.59 2b95 h PRO 72 Ca -0.02 -0.11 -0.63 0.00 -0.87 0.00 0.00 66.00 64.38 2b95 h PRO 72 Cb 1.13 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 2b95 h PRO 72 CO 0.19 0.63 0.27 -0.65 -0.23 0.00 0.00 178.00 178.21 2b95 s GLN 73 N -4.30 3.58 -0.06 0.86 -0.21 -1.26 -4.97 119.66 113.31 2b95 s GLN 73 Ca -0.15 0.04 -0.22 0.00 0.02 0.00 0.00 55.36 55.05 2b95 s GLN 73 Cb 0.04 -3.86 0.07 0.00 1.00 0.00 0.00 33.01 30.26 2b95 s GLN 73 CO 0.72 -0.91 1.01 -1.71 -2.12 0.00 0.00 175.29 172.28 2b95 n ASN 74 N 6.37 -0.79 -3.64 5.90 2.85 -1.26 -5.16 115.26 119.53 2b95 n ASN 74 Ca 0.01 -1.05 -0.05 0.00 -0.11 0.00 0.00 54.58 53.37 2b95 n ASN 74 Cb 0.48 1.19 -0.07 0.00 1.24 0.00 0.00 39.78 42.63 2b95 n ASN 74 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2b95 s ASP 75 N -3.20 -0.21 0.14 1.20 2.15 -1.26 -5.16 116.67 110.33 2b95 s ASP 75 Ca 0.24 0.39 -0.23 0.00 0.43 0.00 0.00 52.55 53.39 2b95 s ASP 75 Cb -0.00 0.39 -0.08 0.00 -0.30 0.00 0.00 42.92 42.94 2b95 s ASP 75 CO -0.02 -0.08 0.70 -0.22 -0.17 0.00 0.00 175.17 175.38 2b95 s LEU 76 N 0.00 4.55 0.00 -1.34 1.98 -1.26 -4.94 118.68 117.67 2b95 s LEU 76 Ca 0.06 1.49 0.00 0.00 -2.89 0.00 0.00 54.13 52.78 2b95 s LEU 76 Cb -0.05 -3.19 0.00 0.00 0.66 0.00 0.00 46.19 43.62 2b95 s LEU 76 CO -0.11 0.21 0.65 1.07 -1.89 0.00 0.00 176.35 176.29 2b95 n THR 77 N 1.54 0.00 -3.65 3.68 5.66 -1.26 -4.70 114.28 115.55 2b95 n THR 77 Ca -0.07 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2b95 n THR 77 Cb 0.50 0.43 -0.07 0.00 -1.55 0.00 0.00 70.33 69.65 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 -0.03 -0.29 1.09 2.19 -1.26 -4.80 117.98 114.88 2b95 s PHE 78 Ca 0.00 0.06 0.05 0.00 0.33 0.00 0.00 56.93 57.37 2b95 s PHE 78 Cb 0.00 0.29 0.19 0.00 -1.31 0.00 0.00 43.02 42.20 2b95 s PHE 78 CO 0.00 -0.01 0.57 -1.17 1.83 0.00 0.00 175.22 176.44 2b95 s LEU 79 N 0.44 -1.52 0.24 6.12 2.96 -0.00 -4.96 118.68 121.97 2b95 s LEU 79 Ca 0.01 0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 2b95 s LEU 79 Cb -0.04 1.93 -0.05 0.00 0.50 0.00 0.00 46.19 48.53 2b95 s LEU 79 CO -0.13 -0.30 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.37 2b95 s ARG 80 N 2.80 1.43 -0.37 1.98 0.52 -1.26 -1.14 118.95 122.90 2b95 s ARG 80 Ca 0.11 -1.69 0.03 0.00 -0.52 0.00 0.00 55.73 53.66 2b95 s ARG 80 Cb -0.11 -1.08 0.16 0.00 0.52 0.00 0.00 34.95 34.44 2b95 s ARG 80 CO -0.26 0.09 0.39 0.96 0.02 0.00 0.00 175.30 176.50 2b95 s ILE 81 N -3.04 -0.39 -0.06 1.52 -4.36 -1.25 -5.02 121.20 108.60 2b95 s ILE 81 Ca 0.26 -0.89 -0.30 0.00 -0.26 0.00 0.00 60.65 59.47 2b95 s ILE 81 Cb 0.02 -0.64 -0.06 0.00 1.25 0.00 0.00 42.46 43.03 2b95 s ILE 81 CO 0.09 -0.53 1.75 -0.60 0.24 0.00 0.00 174.94 175.89 2b95 s ARG 82 N 1.51 4.08 0.01 0.37 3.00 -1.26 -4.01 118.95 122.64 2b95 s ARG 82 Ca 0.16 2.22 0.00 0.00 -1.00 0.00 0.00 55.73 57.12 2b95 s ARG 82 Cb -0.14 -4.05 0.00 0.00 0.00 0.00 0.00 34.95 30.76 2b95 s ARG 82 CO -0.05 -0.98 0.01 0.43 0.00 0.00 0.00 175.30 174.70 2b95 n SER 83 N 7.59 0.54 0.12 -2.12 7.64 -1.16 -4.98 113.62 121.25 2b95 n SER 83 Ca 0.19 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 59.05 2b95 n SER 83 Cb 0.43 -0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2b95 n SER 83 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2b95 h LYS 84 N 0.00 0.00 0.00 1.43 1.57 -2.04 -3.37 116.57 114.16 2b95 h LYS 84 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2b95 h LYS 84 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2b95 h LYS 84 CO 0.00 0.61 -0.65 0.87 -0.57 0.00 0.00 179.45 179.71 2b95 h LYS 85 N 0.00 0.00 -2.41 3.15 1.79 -2.00 -3.51 116.57 113.60 2b95 h LYS 85 Ca -0.01 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.59 2b95 h LYS 85 Cb 1.46 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 32.00 2b95 h LYS 85 CO 0.08 0.33 0.45 0.54 -1.08 0.00 0.00 179.45 179.77 2b95 s ASN 86 N -6.06 -0.30 0.21 0.86 4.22 -1.26 -4.73 114.94 107.89 2b95 s ASN 86 Ca -0.17 -0.21 -0.07 0.00 -2.14 0.00 0.00 52.86 50.27 2b95 s ASN 86 Cb 0.03 0.47 -0.06 0.00 1.28 0.00 0.00 41.25 42.96 2b95 s ASN 86 CO 0.32 -0.81 0.49 -1.83 -2.04 0.00 0.00 177.10 173.23 2b95 s GLU 87 N -3.29 3.70 -0.28 3.55 -1.05 0.34 -3.01 118.70 118.66 2b95 s GLU 87 Ca 0.08 0.09 0.01 0.00 -0.15 0.00 0.00 54.97 55.00 2b95 s GLU 87 Cb -0.01 -2.71 0.08 0.00 -0.44 0.00 0.00 34.13 31.05 2b95 s GLU 87 CO -0.04 0.35 0.03 0.42 0.95 0.00 0.00 175.26 176.97 2b95 s ILE 88 N -1.82 1.40 0.08 1.83 1.09 -1.26 -1.59 121.20 120.94 2b95 s ILE 88 Ca 0.45 -1.49 -0.31 0.00 -1.10 0.00 0.00 60.65 58.20 2b95 s ILE 88 Cb -0.11 -1.90 -0.06 0.00 -1.06 0.00 0.00 42.46 39.32 2b95 s ILE 88 CO 0.24 -0.42 1.24 -0.04 -0.10 0.00 0.00 174.94 175.86 2b95 s MET 89 N 1.39 4.41 -0.21 2.79 -1.94 0.85 -3.74 119.30 122.85 2b95 s MET 89 Ca 0.04 1.84 -0.04 0.00 -1.71 0.00 0.00 55.69 55.82 2b95 s MET 89 Cb -0.18 -3.32 0.10 0.00 2.01 0.00 0.00 34.83 33.44 2b95 s MET 89 CO -0.13 -0.28 0.22 0.08 -0.01 0.00 0.00 175.02 174.90 2b95 s VAL 90 N 1.00 -0.32 0.07 -6.03 1.01 -0.29 -1.75 120.40 114.08 2b95 s VAL 90 Ca 0.60 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.44 2b95 s VAL 90 Cb -0.31 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2b95 s VAL 90 CO 0.30 -0.25 -0.11 0.00 0.00 0.00 0.00 175.10 175.04 2b95 s ALA 91 N 2.32 0.93 0.17 5.51 0.00 -1.22 -0.82 121.76 128.65 2b95 s ALA 91 Ca 0.07 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.78 2b95 s ALA 91 Cb -0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.86 2b95 s ALA 91 CO -0.15 0.05 1.32 -1.25 0.00 0.00 0.00 175.76 175.74 2b95 s PRO 92 N -1.89 4.38 0.00 0.00 0.04 -1.26 -3.05 135.00 133.21 2b95 s PRO 92 Ca -0.04 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2b95 s PRO 92 Cb -0.09 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2b95 s PRO 92 CO 0.01 -0.30 0.00 -3.47 0.04 0.00 0.00 177.00 173.29 2b95 n ASP 93 N 3.02 1.37 -0.06 6.66 -0.08 -0.47 -4.95 116.55 122.04 2b95 n ASP 93 Ca 0.08 -0.96 -0.08 0.00 -1.51 0.00 0.00 54.79 52.32 2b95 n ASP 93 Cb 0.43 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.88 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 -0.20 0.00 -0.67 1.57 -2.02 -3.37 116.57 111.88 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 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2b95 h LYS 94 CO 0.00 -0.14 -0.17 -3.47 -0.57 0.00 0.00 179.45 175.11 2b95 n ASP 95 N -5.37 0.00 -3.37 0.86 2.03 -1.26 -5.13 116.55 104.32 2b95 n ASP 95 Ca -0.00 -1.33 -0.17 0.00 0.52 0.00 0.00 54.79 53.80 2b95 n ASP 95 Cb 0.28 -0.07 -0.07 0.00 -0.72 0.00 0.00 41.12 40.55 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2b95 s TYR 96 N 0.00 1.46 -0.15 -0.67 1.13 -1.26 -2.15 117.35 115.70 2b95 s TYR 96 Ca 0.00 -1.51 0.02 0.00 -1.41 0.00 0.00 57.07 54.17 2b95 s TYR 96 Cb 0.00 -0.47 0.02 0.00 -1.10 0.00 0.00 41.96 40.41 2b95 s TYR 96 CO 0.00 -0.96 -0.20 -0.06 -2.51 0.00 0.00 175.55 171.83 2b95 s PHE 97 N -3.34 2.57 -0.33 -3.49 0.08 0.92 -1.36 117.98 113.02 2b95 s PHE 97 Ca 0.37 -1.39 -0.25 0.00 0.12 0.00 0.00 56.93 55.77 2b95 s PHE 97 Cb 0.02 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 2b95 s PHE 97 CO 0.24 -0.68 0.90 -1.17 -0.10 0.00 0.00 175.22 174.41 2b95 s LEU 98 N 1.08 4.03 -0.38 -0.37 1.98 -1.17 -2.63 118.68 121.23 2b95 s LEU 98 Ca -0.01 0.71 -0.02 0.00 -2.89 0.00 0.00 54.13 51.91 2b95 s LEU 98 Cb -0.14 -3.24 0.09 0.00 0.66 0.00 0.00 46.19 43.56 2b95 s LEU 98 CO -0.07 -0.76 0.14 -0.63 -1.89 0.00 0.00 176.35 173.14 2b95 s ILE 99 N 3.29 3.19 -0.26 6.68 1.01 0.13 -3.41 121.20 131.83 2b95 s ILE 99 Ca 0.37 -1.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.16 2b95 s ILE 99 Cb -0.13 -3.09 0.04 0.00 0.01 0.00 0.00 42.46 39.29 2b95 s ILE 99 CO 0.15 -0.52 -0.07 -0.69 0.00 0.00 0.00 174.94 173.81 2b95 s VAL 100 N 1.17 2.64 -0.11 2.92 1.01 -0.72 -0.10 120.40 127.20 2b95 s VAL 100 Ca 0.05 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 2b95 s VAL 100 Cb -0.22 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2b95 s VAL 100 CO -0.03 0.10 0.08 -0.63 0.00 0.00 0.00 175.10 174.62 2b95 s ILE 101 N 1.24 5.01 0.15 2.22 1.01 -0.58 -0.10 121.20 130.15 2b95 s ILE 101 Ca -0.03 0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 2b95 s ILE 101 Cb -0.18 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.21 2b95 s ILE 101 CO -0.05 0.60 1.04 0.00 0.00 0.00 0.00 174.94 176.54 2b95 s GLN 102 N -0.86 1.16 0.95 2.79 -2.07 -0.62 -0.11 119.66 120.90 2b95 s GLN 102 Ca 0.13 -0.71 -0.12 0.00 -1.82 0.00 0.00 55.36 52.85 2b95 s GLN 102 Cb -0.12 0.35 0.09 0.00 -1.09 0.00 0.00 33.01 32.24 2b95 s GLN 102 CO 0.03 -0.54 0.70 0.09 -1.32 0.00 0.00 175.29 174.25 2b95 n ASN 103 N -0.90 -1.16 -4.77 12.60 3.02 -0.82 -0.51 115.26 122.72 2b95 n ASN 103 Ca -0.04 0.33 -0.35 0.00 -0.03 0.00 0.00 54.58 54.49 2b95 n ASN 103 Cb 0.60 -1.30 0.01 0.00 -0.61 0.00 0.00 39.78 38.47 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 -4.04 3.30 -0.11 3.52 0.04 -1.26 -4.35 135.00 132.09 2b95 s PRO 104 Ca 0.61 1.59 0.05 0.00 0.04 0.00 0.00 61.00 63.29 2b95 s PRO 104 Cb -0.22 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2b95 s PRO 104 CO 0.64 -0.89 -0.03 0.25 0.04 0.00 0.00 177.00 177.01 2b95 n THR 105 N -1.41 0.71 0.00 1.26 -2.24 -1.26 -5.03 114.28 106.31 2b95 n THR 105 Ca 0.11 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 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