#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 -0.24 3.04 0.00 -2.05 -1.34 119.26 120.23 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 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2b95 h ALA 12 CO 0.00 -0.02 -0.16 1.49 0.00 0.00 0.00 179.25 180.56 2b95 h GLU 13 N 0.77 -0.14 -0.43 0.00 4.81 -2.06 0.26 114.58 117.79 2b95 h GLU 13 Ca 0.54 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.72 2b95 h GLU 13 Cb 0.79 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2b95 h GLU 13 CO -0.36 -0.10 0.01 0.28 -0.73 0.00 0.00 179.01 178.11 2b95 h VAL 14 N -0.15 1.22 -0.53 0.32 2.07 -1.73 -2.67 116.25 114.79 2b95 h VAL 14 Ca 0.13 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 2b95 h VAL 14 Cb 0.35 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2b95 h VAL 14 CO -0.33 0.32 -0.07 -0.33 0.02 0.00 0.00 177.57 177.17 2b95 h GLU 15 N 0.65 0.96 -0.33 1.57 5.08 -0.29 -0.76 114.58 121.45 2b95 h GLU 15 Ca 0.13 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 2b95 h GLU 15 Cb 0.39 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2b95 h GLU 15 CO 0.01 0.99 -0.03 1.49 -1.00 0.00 0.00 179.01 180.47 2b95 h GLU 16 N 0.86 0.53 0.00 2.33 4.22 -0.23 -1.75 114.58 120.54 2b95 h GLU 16 Ca 0.14 -0.12 -0.12 0.00 0.08 0.00 0.00 59.36 59.34 2b95 h GLU 16 Cb 0.61 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2b95 h GLU 16 CO 0.04 0.57 -0.65 1.15 -2.18 0.00 0.00 179.01 177.94 2b95 h THR 17 N 0.50 0.90 -0.00 0.32 2.02 -1.22 -3.22 112.91 112.21 2b95 h THR 17 Ca 0.10 -2.30 -0.17 0.00 0.77 0.00 0.00 66.41 64.82 2b95 h THR 17 Cb 0.37 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 2b95 h THR 17 CO 0.01 0.51 -0.78 -0.07 0.37 0.00 0.00 175.52 175.56 2b95 h LEU 18 N 0.00 0.04 0.06 2.58 4.07 -0.66 -2.44 115.31 118.97 2b95 h LEU 18 Ca -0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 2b95 h LEU 18 Cb 1.44 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.17 2b95 h LEU 18 CO 0.07 0.81 -0.03 0.11 -1.08 0.00 0.00 178.44 178.32 2b95 h LYS 19 N 0.02 -0.08 0.00 1.13 1.79 -1.38 -0.66 116.57 117.39 2b95 h LYS 19 Ca -0.01 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 2b95 h LYS 19 Cb 1.38 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.04 2b95 h LYS 19 CO 0.10 0.36 -0.24 0.07 -1.08 0.00 0.00 179.45 178.67 2b95 h ARG 20 N -0.56 0.00 0.23 3.15 0.11 -1.63 -1.70 114.38 113.98 2b95 h ARG 20 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2b95 h ARG 20 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2b95 h ARG 20 CO 0.01 0.24 -0.11 -0.07 0.10 0.00 0.00 179.97 180.15 2b95 h LEU 21 N 0.00 -0.26 -2.85 0.08 4.07 -1.39 -2.67 115.31 112.30 2b95 h LEU 21 Ca -0.00 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.80 2b95 h LEU 21 Cb 0.47 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2b95 h LEU 21 CO 0.03 0.26 0.00 -0.61 -1.08 0.00 0.00 178.44 177.04 2b95 h GLN 22 N -1.01 0.00 0.08 1.13 5.75 -1.10 -0.80 115.11 119.16 2b95 h GLN 22 Ca -0.03 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.21 2b95 h GLN 22 Cb 0.40 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 2b95 h GLN 22 CO 0.05 0.00 -1.22 0.77 -2.65 0.00 0.00 178.83 175.78 2b95 h SER 23 N 0.00 0.27 -3.54 -0.69 0.02 -1.32 -3.46 113.55 104.83 2b95 h SER 23 Ca 0.00 -0.30 -0.51 0.00 -0.84 0.00 0.00 61.79 60.14 2b95 h SER 23 Cb 0.01 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2b95 h SER 23 CO 0.00 1.24 0.01 0.00 -1.14 0.00 0.00 176.83 176.94 2b95 s GLN 24 N -2.67 3.79 0.37 3.45 -2.07 -0.31 -5.06 119.66 117.17 2b95 s GLN 24 Ca -0.03 0.36 -0.25 0.00 -1.82 0.00 0.00 55.36 53.63 2b95 s GLN 24 Cb 0.08 -2.50 -0.09 0.00 -1.09 0.00 0.00 33.01 29.40 2b95 s GLN 24 CO 0.86 0.12 1.01 0.21 -1.32 0.00 0.00 175.29 176.16 2b95 s LYS 25 N -3.44 4.33 0.00 9.60 2.20 -1.26 -4.00 119.74 127.16 2b95 s LYS 25 Ca 0.49 1.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 2b95 s LYS 25 Cb -0.11 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2b95 s LYS 25 CO 0.27 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.69 2b95 n GLY 26 N 0.37 3.25 3.52 5.54 0.00 -1.26 -4.97 105.19 111.64 2b95 n GLY 26 Ca 0.04 -0.94 -0.50 0.00 0.00 0.00 0.00 46.02 44.62 2b95 n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2b95 n VAL 27 N 0.00 0.28 0.12 1.61 0.31 -1.26 -2.75 118.33 116.64 2b95 n VAL 27 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2b95 n VAL 27 Cb 0.00 -1.78 -0.01 0.00 -0.91 0.00 0.00 33.84 31.13 2b95 n VAL 27 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2b95 h GLN 28 N 11.92 0.00 0.00 5.55 4.20 -0.85 -3.48 115.11 132.45 2b95 h GLN 28 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2b95 h GLN 28 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2b95 h GLN 28 CO 1.00 0.61 0.00 0.41 -0.67 0.00 0.00 178.83 180.18 2b95 n GLY 29 N 1.26 3.56 3.12 3.46 0.00 -1.10 -4.82 105.19 110.67 2b95 n GLY 29 Ca 0.01 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 1.60 0.04 -0.61 1.01 -1.26 -1.76 121.20 118.22 2b95 s ILE 30 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.96 2b95 s ILE 30 Cb 0.00 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 2b95 s ILE 30 CO 0.00 0.46 -0.12 -0.63 0.00 0.00 0.00 174.94 174.64 2b95 s ILE 31 N 0.49 3.21 -0.24 2.92 1.01 -0.59 -2.35 121.20 125.65 2b95 s ILE 31 Ca -0.17 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 59.39 2b95 s ILE 31 Cb -0.17 -2.40 0.07 0.00 0.01 0.00 0.00 42.46 39.97 2b95 s ILE 31 CO 0.06 0.30 0.05 -0.69 0.00 0.00 0.00 174.94 174.66 2b95 s VAL 32 N -1.02 0.76 -0.08 2.92 1.01 0.97 -2.01 120.40 122.94 2b95 s VAL 32 Ca 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2b95 s VAL 32 Cb -0.11 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2b95 s VAL 32 CO 0.08 -0.36 -0.07 -0.69 0.00 0.00 0.00 175.10 174.06 2b95 s VAL 33 N 1.72 3.70 0.00 2.92 1.01 -1.18 -0.17 120.40 128.40 2b95 s VAL 33 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2b95 s VAL 33 Cb -0.17 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2b95 s VAL 33 CO -0.14 0.58 0.00 -0.46 0.00 0.00 0.00 175.10 175.08 2b95 n ASN 34 N 2.50 0.00 0.06 3.32 0.23 -1.04 -0.06 115.26 120.27 2b95 n ASN 34 Ca -0.18 -0.82 -0.12 0.00 -0.53 0.00 0.00 54.58 52.93 2b95 n ASN 34 Cb 0.53 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.19 0.97 -0.45 5.53 1.35 -1.89 -1.96 112.91 116.27 2b95 h THR 35 Ca 0.00 -0.03 0.13 0.00 -0.55 0.00 0.00 66.41 65.96 2b95 h THR 35 Cb 0.00 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 67.39 2b95 h THR 35 CO 0.00 0.01 0.40 -0.33 -0.25 0.00 0.00 175.52 175.34 2b95 h GLU 36 N -0.07 0.00 0.00 4.72 5.08 -1.95 -3.45 114.58 118.92 2b95 h GLU 36 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2b95 h GLU 36 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2b95 h GLU 36 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 2b95 n GLY 37 N -1.54 0.78 3.74 -3.84 0.00 -0.74 -5.08 105.19 98.51 2b95 n GLY 37 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 4.91 -1.17 -0.61 1.01 -1.26 -4.75 121.20 117.33 2b95 s ILE 38 Ca 0.00 1.43 -0.23 0.00 0.00 0.00 0.00 60.65 61.85 2b95 s ILE 38 Cb 0.00 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 2b95 s ILE 38 CO 0.00 0.34 1.93 -0.81 0.00 0.00 0.00 174.94 176.40 2b95 n PRO 39 N 3.15 1.60 -0.31 2.79 -0.04 -1.26 -2.49 135.00 138.44 2b95 n PRO 39 Ca -0.03 -2.44 0.21 0.00 -0.04 0.00 0.00 63.50 61.20 2b95 n PRO 39 Cb 0.51 -3.69 0.50 0.00 -0.04 0.00 0.00 33.50 30.78 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 6.06 0.57 -3.95 0.52 3.07 -0.92 -3.41 117.51 119.44 2b95 h ILE 40 Ca 0.23 -0.14 -0.25 0.00 1.55 0.00 0.00 64.86 66.25 2b95 h ILE 40 Cb 0.92 0.11 -0.23 0.00 -0.27 0.00 0.00 36.82 37.36 2b95 h ILE 40 CO 1.27 0.08 -0.73 -0.54 -1.05 0.00 0.00 178.15 177.18 2b95 s LYS 41 N -5.50 0.42 -0.16 0.16 1.02 -1.02 -5.01 119.74 109.66 2b95 s LYS 41 Ca -0.09 -0.59 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 2b95 s LYS 41 Cb 0.25 -0.17 0.12 0.00 -0.52 0.00 0.00 37.83 37.50 2b95 s LYS 41 CO 0.80 0.03 0.95 -1.54 -0.92 0.00 0.00 175.35 174.66 2b95 s SER 42 N -1.24 -0.43 0.00 2.83 1.04 -1.26 -0.02 113.70 114.62 2b95 s SER 42 Ca -0.09 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2b95 s SER 42 Cb -0.08 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2b95 s SER 42 CO -0.00 -0.36 0.25 0.35 0.98 0.00 0.00 173.24 174.46 2b95 n THR 43 N 0.95 0.00 -1.82 2.02 -2.24 -0.99 -4.99 114.28 107.21 2b95 n THR 43 Ca -0.12 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2b95 n THR 43 Cb 0.57 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 2b95 n THR 43 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2b95 n MET 44 N -0.31 0.64 -1.25 -0.78 1.56 -1.26 -4.87 117.12 110.85 2b95 n MET 44 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.13 2b95 n MET 44 Cb 0.03 0.00 0.12 0.00 2.15 0.00 0.00 33.22 35.52 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 3.78 0.06 6.12 1.01 -1.26 -4.80 116.67 120.58 2b95 s ASP 45 Ca 0.00 1.54 -0.33 0.00 0.71 0.00 0.00 52.55 54.46 2b95 s ASP 45 Cb 0.00 -2.23 -0.19 0.00 1.01 0.00 0.00 42.92 41.51 2b95 s ASP 45 CO 0.00 -2.45 1.53 -1.13 0.21 0.00 0.00 175.17 173.33 2b95 h ASN 46 N -1.42 -0.88 0.71 0.27 -0.00 -1.99 0.93 115.58 113.20 2b95 h ASN 46 Ca -0.48 0.02 -0.06 0.00 -0.00 0.00 0.00 56.30 55.78 2b95 h ASN 46 Cb 1.27 0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 39.81 2b95 h ASN 46 CO 0.54 -0.60 -0.27 1.55 -0.00 0.00 0.00 177.43 178.66 2b95 h PRO 47 N -1.09 0.00 0.02 6.67 0.13 -2.00 -2.74 132.00 132.99 2b95 h PRO 47 Ca -0.11 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.82 2b95 h PRO 47 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2b95 h PRO 47 CO 0.17 0.27 -0.94 1.15 -0.23 0.00 0.00 178.00 178.42 2b95 h THR 48 N 0.00 1.52 -0.03 1.56 2.02 -1.90 -3.06 112.91 113.01 2b95 h THR 48 Ca -0.00 -2.77 -0.03 0.00 0.77 0.00 0.00 66.41 64.38 2b95 h THR 48 Cb 0.70 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 2b95 h THR 48 CO 0.03 0.81 -0.10 0.74 0.37 0.00 0.00 175.52 177.37 2b95 h THR 49 N 0.09 1.47 -0.41 3.16 2.02 -0.64 -2.91 112.91 115.69 2b95 h THR 49 Ca -0.05 -1.54 0.06 0.00 0.77 0.00 0.00 66.41 65.65 2b95 h THR 49 Cb 1.60 2.42 -0.06 0.00 -1.74 0.00 0.00 68.15 70.37 2b95 h THR 49 CO 0.14 0.42 0.09 0.74 0.37 0.00 0.00 175.52 177.28 2b95 h THR 50 N -0.45 0.79 -0.33 3.16 2.02 -1.59 0.12 112.91 116.62 2b95 h THR 50 Ca -0.00 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.14 2b95 h THR 50 Cb 0.73 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 2b95 h THR 50 CO 0.02 0.04 0.10 -0.61 0.37 0.00 0.00 175.52 175.44 2b95 h GLN 51 N 0.22 0.22 0.28 6.66 -0.00 -1.61 0.14 115.11 121.02 2b95 h GLN 51 Ca 0.20 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.82 2b95 h GLN 51 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 27.67 2b95 h GLN 51 CO -0.26 0.15 -0.14 1.88 0.00 0.00 0.00 178.83 180.46 2b95 h TYR 52 N 0.23 -0.35 0.00 3.99 -1.99 -1.20 -2.21 116.97 115.44 2b95 h TYR 52 Ca 0.15 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.87 2b95 h TYR 52 Cb 0.14 0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.99 2b95 h TYR 52 CO -0.16 -0.13 0.00 0.00 -0.00 0.00 0.00 178.16 177.88 2b95 h ALA 53 N 0.17 1.00 0.09 3.88 0.00 -0.58 0.24 119.26 124.06 2b95 h ALA 53 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2b95 h ALA 53 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2b95 h ALA 53 CO 0.06 0.00 -0.04 1.03 0.00 0.00 0.00 179.25 180.30 2b95 h SER 54 N 0.00 -0.10 1.81 0.00 0.87 -0.14 -3.31 113.55 112.68 2b95 h SER 54 Ca 0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2b95 h SER 54 Cb 0.06 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2b95 h SER 54 CO 0.00 0.55 0.00 0.17 -0.53 0.00 0.00 176.83 177.02 2b95 h LEU 55 N -0.88 0.00 -1.19 2.23 8.10 -1.10 -3.26 115.31 119.21 2b95 h LEU 55 Ca -0.01 0.00 0.19 0.00 0.11 0.00 0.00 57.88 58.17 2b95 h LEU 55 Cb 0.58 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.71 2b95 h LEU 55 CO 0.02 0.00 0.61 -0.03 -4.11 0.00 0.00 178.44 174.93 2b95 h MET 56 N 0.00 0.64 0.04 0.17 4.05 -0.62 0.32 114.93 119.54 2b95 h MET 56 Ca 0.00 -0.04 -0.22 0.00 -0.28 0.00 0.00 59.70 59.16 2b95 h MET 56 Cb 0.90 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 2b95 h MET 56 CO 0.00 0.42 -1.03 1.25 0.23 0.00 0.00 176.91 177.78 2b95 h HIS 57 N 0.66 0.20 -0.30 1.39 -0.00 -1.69 -3.26 115.15 112.15 2b95 h HIS 57 Ca 0.53 -0.14 -0.17 0.00 -0.00 0.00 0.00 60.37 60.60 2b95 h HIS 57 Cb 0.96 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.35 2b95 h HIS 57 CO -0.00 1.07 -0.47 1.03 -0.00 0.00 0.00 177.93 179.55 2b95 h SER 58 N 0.04 0.89 0.45 3.26 0.87 -0.98 -2.39 113.55 115.69 2b95 h SER 58 Ca -0.05 -0.44 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 2b95 h SER 58 Cb 1.76 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.45 2b95 h SER 58 CO 0.15 1.21 -0.36 0.15 -0.53 0.00 0.00 176.83 177.45 2b95 h PHE 59 N 0.65 -0.98 -0.97 2.24 3.57 -0.56 0.25 116.94 121.14 2b95 h PHE 59 Ca 0.03 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2b95 h PHE 59 Cb 1.05 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 40.11 2b95 h PHE 59 CO 0.06 -0.53 0.64 0.82 -2.23 0.00 0.00 178.31 177.07 2b95 h ILE 60 N -0.81 1.20 0.00 1.41 1.08 -1.61 -0.81 117.51 117.97 2b95 h ILE 60 Ca -0.04 -0.43 -0.04 0.00 -0.39 0.00 0.00 64.86 63.95 2b95 h ILE 60 Cb 0.70 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 2b95 h ILE 60 CO -0.01 0.23 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.40 2b95 h LEU 61 N 1.27 0.00 0.05 1.44 4.07 -1.09 0.52 115.31 121.56 2b95 h LEU 61 Ca 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.33 2b95 h LEU 61 Cb -0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.68 2b95 h LEU 61 CO -0.10 0.21 -0.02 0.11 -1.08 0.00 0.00 178.44 177.55 2b95 h LYS 62 N 0.00 -0.06 -0.11 1.13 6.56 0.84 -3.05 116.57 121.87 2b95 h LYS 62 Ca -0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 2b95 h LYS 62 Cb 0.55 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.23 2b95 h LYS 62 CO 0.03 0.54 -0.00 0.00 -2.06 0.00 0.00 179.45 177.95 2b95 h ALA 63 N -0.23 0.14 -0.55 3.86 0.00 -1.22 -2.60 119.26 118.66 2b95 h ALA 63 Ca -0.01 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.88 2b95 h ALA 63 Cb 0.63 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2b95 h ALA 63 CO 0.01 -0.17 0.42 -0.09 0.00 0.00 0.00 179.25 179.43 2b95 h ARG 64 N -0.09 0.00 0.00 0.00 2.43 -1.04 0.34 114.38 116.02 2b95 h ARG 64 Ca 0.03 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 2b95 h ARG 64 Cb 0.36 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2b95 h ARG 64 CO 0.01 0.00 -0.85 1.03 -1.51 0.00 0.00 179.97 178.64 2b95 h SER 65 N 0.00 0.00 0.34 -3.80 0.87 -1.38 -3.27 113.55 106.31 2b95 h SER 65 Ca 0.26 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.50 2b95 h SER 65 Cb 1.10 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.08 2b95 h SER 65 CO -0.00 0.85 -1.55 0.74 -0.53 0.00 0.00 176.83 176.34 2b95 h THR 66 N 0.00 1.16 -0.62 2.23 2.02 -0.15 -3.31 112.91 114.24 2b95 h THR 66 Ca -0.01 -2.71 0.12 0.00 0.77 0.00 0.00 66.41 64.58 2b95 h THR 66 Cb 1.61 2.87 -0.04 0.00 -1.74 0.00 0.00 68.15 70.85 2b95 h THR 66 CO 0.11 0.84 0.42 0.58 0.37 0.00 0.00 175.52 177.84 2b95 h VAL 67 N 0.10 0.84 -0.79 3.16 2.07 -0.63 -0.39 116.25 120.62 2b95 h VAL 67 Ca -0.27 -0.11 0.19 0.00 0.82 0.00 0.00 66.70 67.33 2b95 h VAL 67 Cb 2.08 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 2b95 h VAL 67 CO 0.21 0.06 0.54 0.03 0.02 0.00 0.00 177.57 178.42 2b95 h ARG 68 N 0.33 0.25 0.00 1.57 2.47 -1.65 0.24 114.38 117.59 2b95 h ARG 68 Ca 0.29 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.82 2b95 h ARG 68 Cb 0.71 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 2b95 h ARG 68 CO -0.07 0.17 -0.86 0.22 0.56 0.00 0.00 179.97 179.98 2b95 h ASP 69 N 0.26 0.00 -0.41 7.04 1.82 -1.27 -3.24 116.42 120.63 2b95 h ASP 69 Ca 0.39 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.97 2b95 h ASP 69 Cb 1.14 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 2b95 h ASP 69 CO -0.10 0.86 0.04 0.40 -1.61 0.00 0.00 179.24 178.83 2b95 h ILE 70 N 0.00 1.23 -3.09 2.25 2.04 -0.51 -3.46 117.51 115.98 2b95 h ILE 70 Ca -0.01 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 2b95 h ILE 70 Cb 1.53 0.83 -0.12 0.00 -0.74 0.00 0.00 36.82 38.32 2b95 h ILE 70 CO 0.11 0.33 0.15 -1.81 0.00 0.00 0.00 178.15 176.93 2b95 s ASP 71 N -6.63 -0.48 0.01 1.72 1.01 -0.96 -5.07 116.67 106.25 2b95 s ASP 71 Ca -0.09 -0.10 -0.23 0.00 0.71 0.00 0.00 52.55 52.84 2b95 s ASP 71 Cb 0.15 0.58 -0.18 0.00 1.01 0.00 0.00 42.92 44.48 2b95 s ASP 71 CO 0.80 -0.96 1.30 1.55 0.21 0.00 0.00 175.17 178.07 2b95 h PRO 72 N 2.08 0.16 -4.70 8.23 0.13 -1.89 -3.40 132.00 132.60 2b95 h PRO 72 Ca -0.33 -0.08 -0.58 0.00 -0.87 0.00 0.00 66.00 64.13 2b95 h PRO 72 Cb 1.30 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.08 2b95 h PRO 72 CO 0.39 0.60 -0.83 -0.65 -0.23 0.00 0.00 178.00 177.28 2b95 s GLN 73 N -4.28 2.18 0.03 0.86 -0.21 -1.26 -5.02 119.66 111.96 2b95 s GLN 73 Ca -0.15 -0.54 -0.04 0.00 0.02 0.00 0.00 55.36 54.65 2b95 s GLN 73 Cb 0.03 -1.90 0.01 0.00 1.00 0.00 0.00 33.01 32.16 2b95 s GLN 73 CO 0.71 -0.10 0.18 -1.71 -2.12 0.00 0.00 175.29 172.25 2b95 n ASN 74 N 4.33 -0.29 -3.26 5.90 2.85 -1.26 -5.17 115.26 118.36 2b95 n ASN 74 Ca -0.18 -1.14 0.03 0.00 -0.11 0.00 0.00 54.58 53.17 2b95 n ASN 74 Cb 0.51 0.47 -0.03 0.00 1.24 0.00 0.00 39.78 41.96 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 -1.43 -0.34 0.34 1.20 2.15 -1.26 -5.11 116.67 112.22 2b95 s ASP 75 Ca 0.04 0.40 -0.28 0.00 0.43 0.00 0.00 52.55 53.15 2b95 s ASP 75 Cb -0.00 1.36 -0.09 0.00 -0.30 0.00 0.00 42.92 43.88 2b95 s ASP 75 CO 0.01 -0.06 1.22 -0.76 -0.17 0.00 0.00 175.17 175.40 2b95 s LEU 76 N 2.41 4.37 -0.04 -1.34 2.01 -1.26 -4.94 118.68 119.90 2b95 s LEU 76 Ca -0.01 2.50 0.13 0.00 0.01 0.00 0.00 54.13 56.75 2b95 s LEU 76 Cb -0.05 -3.77 0.24 0.00 0.01 0.00 0.00 46.19 42.62 2b95 s LEU 76 CO -0.15 -0.51 1.10 0.35 1.01 0.00 0.00 176.35 178.15 2b95 n THR 77 N 0.63 0.44 -3.59 5.49 -2.24 -1.26 -4.73 114.28 109.01 2b95 n THR 77 Ca 0.01 -0.96 0.02 0.00 -2.27 0.00 0.00 64.05 60.85 2b95 n THR 77 Cb 0.44 0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.65 -0.13 -0.28 4.78 0.08 -1.26 -4.72 117.98 115.79 2b95 s PHE 78 Ca 0.20 0.26 -0.03 0.00 0.12 0.00 0.00 56.93 57.48 2b95 s PHE 78 Cb 0.21 0.08 0.10 0.00 -0.57 0.00 0.00 43.02 42.84 2b95 s PHE 78 CO -0.07 -0.07 0.12 -0.51 -0.10 0.00 0.00 175.22 174.60 2b95 s LEU 79 N 1.21 0.84 -0.09 -0.37 1.02 0.87 -4.98 118.68 117.18 2b95 s LEU 79 Ca -0.07 -1.29 0.04 0.00 0.02 0.00 0.00 54.13 52.82 2b95 s LEU 79 Cb -0.02 -0.44 -0.01 0.00 0.02 0.00 0.00 46.19 45.74 2b95 s LEU 79 CO -0.11 -0.43 -0.21 -0.13 0.02 0.00 0.00 176.35 175.49 2b95 s ARG 80 N 2.01 2.97 -0.42 1.70 0.52 -1.26 -1.14 118.95 123.34 2b95 s ARG 80 Ca 0.08 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 2b95 s ARG 80 Cb -0.16 -2.34 0.13 0.00 0.52 0.00 0.00 34.95 33.10 2b95 s ARG 80 CO -0.32 0.26 0.22 0.96 0.02 0.00 0.00 175.30 176.44 2b95 s ILE 81 N 0.16 1.23 -0.14 1.52 -4.36 -1.25 -5.06 121.20 113.30 2b95 s ILE 81 Ca -0.12 -2.35 -0.29 0.00 -0.26 0.00 0.00 60.65 57.63 2b95 s ILE 81 Cb -0.16 -1.87 -0.06 0.00 1.25 0.00 0.00 42.46 41.62 2b95 s ILE 81 CO 0.06 -0.88 1.96 -0.60 0.24 0.00 0.00 174.94 175.72 2b95 s ARG 82 N 0.55 3.66 0.17 0.37 3.52 -1.26 -4.08 118.95 121.88 2b95 s ARG 82 Ca 0.17 2.11 0.08 0.00 -0.13 0.00 0.00 55.73 57.95 2b95 s ARG 82 Cb -0.24 -4.21 -0.04 0.00 -1.56 0.00 0.00 34.95 28.91 2b95 s ARG 82 CO -0.02 -1.49 -0.03 -1.12 -0.81 0.00 0.00 175.30 171.83 2b95 s SER 83 N 5.83 4.64 0.59 -2.12 0.01 -1.17 -5.00 113.70 116.48 2b95 s SER 83 Ca 0.88 -0.43 0.29 0.00 1.31 0.00 0.00 55.95 58.00 2b95 s SER 83 Cb -0.34 -0.94 1.64 0.00 0.21 0.00 0.00 66.02 66.59 2b95 s SER 83 CO 0.36 0.10 2.07 0.11 0.41 0.00 0.00 173.24 176.29 2b95 h LYS 84 N 2.84 0.00 0.00 12.44 1.57 -2.04 -2.22 116.57 129.15 2b95 h LYS 84 Ca -0.47 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 2b95 h LYS 84 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 2b95 h LYS 84 CO 0.57 0.00 -0.08 0.87 -0.57 0.00 0.00 179.45 180.23 2b95 h LYS 85 N 0.00 0.00 -1.21 3.15 1.79 -1.99 -3.50 116.57 114.81 2b95 h LYS 85 Ca 0.10 0.00 0.31 0.00 -2.18 0.00 0.00 60.65 58.88 2b95 h LYS 85 Cb 0.57 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.02 2b95 h LYS 85 CO -0.00 0.91 0.92 0.54 -1.08 0.00 0.00 179.45 180.73 2b95 s ASN 86 N -6.20 -0.06 -0.02 0.86 4.22 -0.84 -4.81 114.94 108.10 2b95 s ASN 86 Ca -0.18 -0.00 -0.23 0.00 -2.14 0.00 0.00 52.86 50.31 2b95 s ASN 86 Cb -0.02 0.06 -0.05 0.00 1.28 0.00 0.00 41.25 42.53 2b95 s ASN 86 CO 0.62 -0.10 0.69 -1.83 -2.04 0.00 0.00 177.10 174.43 2b95 s GLU 87 N -2.18 4.42 -0.35 3.55 -1.05 -0.74 -3.03 118.70 119.32 2b95 s GLU 87 Ca 0.11 0.88 0.03 0.00 -0.15 0.00 0.00 54.97 55.85 2b95 s GLU 87 Cb -0.00 -3.40 0.10 0.00 -0.44 0.00 0.00 34.13 30.39 2b95 s GLU 87 CO -0.03 0.20 0.08 0.42 0.95 0.00 0.00 175.26 176.88 2b95 s ILE 88 N 0.31 2.06 0.02 1.83 1.09 -1.26 -2.41 121.20 122.84 2b95 s ILE 88 Ca 0.36 -2.28 -0.30 0.00 -1.10 0.00 0.00 60.65 57.33 2b95 s ILE 88 Cb -0.19 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.66 2b95 s ILE 88 CO 0.19 -0.64 1.04 -0.04 -0.10 0.00 0.00 174.94 175.40 2b95 s MET 89 N 0.91 4.52 -0.10 2.79 -1.94 -0.68 -3.91 119.30 120.89 2b95 s MET 89 Ca 0.11 1.52 -0.04 0.00 -1.71 0.00 0.00 55.69 55.58 2b95 s MET 89 Cb -0.19 -3.42 0.05 0.00 2.01 0.00 0.00 34.83 33.27 2b95 s MET 89 CO -0.10 -0.11 0.22 0.08 -0.01 0.00 0.00 175.02 175.10 2b95 s VAL 90 N 1.01 -0.15 0.09 -6.03 1.01 -0.29 -1.82 120.40 114.22 2b95 s VAL 90 Ca 0.54 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2b95 s VAL 90 Cb -0.24 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.80 2b95 s VAL 90 CO 0.28 0.09 0.26 0.00 0.00 0.00 0.00 175.10 175.73 2b95 s ALA 91 N 1.61 -0.46 -0.14 5.51 0.00 -1.24 -0.09 121.76 126.95 2b95 s ALA 91 Ca -0.06 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.21 2b95 s ALA 91 Cb -0.11 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2b95 s ALA 91 CO -0.08 -0.53 1.56 -1.25 0.00 0.00 0.00 175.76 175.46 2b95 s PRO 92 N -3.69 4.05 0.00 0.00 0.04 -1.26 -3.53 135.00 130.60 2b95 s PRO 92 Ca 0.03 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2b95 s PRO 92 Cb 0.03 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2b95 s PRO 92 CO -0.10 -0.99 0.00 -3.47 0.04 0.00 0.00 177.00 172.48 2b95 n ASP 93 N 7.52 0.00 -0.08 6.66 -0.08 0.08 -5.00 116.55 125.65 2b95 n ASP 93 Ca 0.17 -0.91 -0.07 0.00 -1.51 0.00 0.00 54.79 52.48 2b95 n ASP 93 Cb 0.44 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.90 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 1.79 -2.02 -3.37 116.57 112.13 2b95 h LYS 94 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2b95 h LYS 94 Cb 0.00 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2b95 h LYS 94 CO 0.00 -0.12 -0.17 -0.40 -1.08 0.00 0.00 179.45 177.68 2b95 n ASP 95 N -5.37 0.00 -3.33 0.86 5.68 -1.26 -5.13 116.55 108.00 2b95 n ASP 95 Ca 0.01 -1.34 -0.16 0.00 -0.50 0.00 0.00 54.79 52.79 2b95 n ASP 95 Cb 0.29 -0.07 -0.06 0.00 -1.14 0.00 0.00 41.12 40.14 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 1.32 -0.26 2.11 1.13 -1.26 -3.12 117.35 117.26 2b95 s TYR 96 Ca 0.00 -1.43 0.03 0.00 -1.41 0.00 0.00 57.07 54.26 2b95 s TYR 96 Cb 0.00 -0.33 0.06 0.00 -1.10 0.00 0.00 41.96 40.59 2b95 s TYR 96 CO 0.00 -1.02 -0.10 -0.06 -2.51 0.00 0.00 175.55 171.86 2b95 s PHE 97 N -3.25 3.29 0.26 -3.49 0.08 0.91 -0.74 117.98 115.04 2b95 s PHE 97 Ca 0.35 -2.36 -0.30 0.00 0.12 0.00 0.00 56.93 54.73 2b95 s PHE 97 Cb 0.01 -1.99 -0.09 0.00 -0.57 0.00 0.00 43.02 40.38 2b95 s PHE 97 CO 0.23 -0.88 1.01 -1.17 -0.10 0.00 0.00 175.22 174.30 2b95 s LEU 98 N 1.09 4.61 -0.24 -0.37 0.20 -1.23 -3.11 118.68 119.63 2b95 s LEU 98 Ca -0.08 2.08 -0.03 0.00 0.69 0.00 0.00 54.13 56.79 2b95 s LEU 98 Cb -0.20 -3.62 0.08 0.00 -0.43 0.00 0.00 46.19 42.02 2b95 s LEU 98 CO -0.05 0.03 0.09 -0.63 -0.29 0.00 0.00 176.35 175.50 2b95 s ILE 99 N -1.18 0.31 -0.33 6.68 1.09 -0.85 -3.59 121.20 123.33 2b95 s ILE 99 Ca 0.43 -0.73 -0.09 0.00 -1.10 0.00 0.00 60.65 59.16 2b95 s ILE 99 Cb -0.28 -1.07 0.01 0.00 -1.06 0.00 0.00 42.46 40.06 2b95 s ILE 99 CO 0.36 -0.48 0.14 -0.69 -0.10 0.00 0.00 174.94 174.17 2b95 s VAL 100 N 1.93 4.29 -0.15 2.92 1.01 -0.76 -1.54 120.40 128.10 2b95 s VAL 100 Ca 0.05 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2b95 s VAL 100 Cb -0.17 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2b95 s VAL 100 CO -0.21 -0.06 -0.02 -0.63 0.00 0.00 0.00 175.10 174.19 2b95 s ILE 101 N 1.53 4.03 0.22 2.22 1.01 -0.72 -1.68 121.20 127.81 2b95 s ILE 101 Ca 0.02 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 2b95 s ILE 101 Cb -0.18 -2.76 0.06 0.00 0.01 0.00 0.00 42.46 39.59 2b95 s ILE 101 CO 0.05 0.50 0.92 0.00 0.00 0.00 0.00 174.94 176.41 2b95 s GLN 102 N 0.20 1.47 0.96 2.79 -2.07 -1.01 -0.11 119.66 121.89 2b95 s GLN 102 Ca -0.01 -0.88 -0.13 0.00 -1.82 0.00 0.00 55.36 52.52 2b95 s GLN 102 Cb -0.14 0.46 0.04 0.00 -1.09 0.00 0.00 33.01 32.29 2b95 s GLN 102 CO 0.02 -0.68 0.39 0.09 -1.32 0.00 0.00 175.29 173.79 2b95 n ASN 103 N -0.81 -2.08 -4.77 12.60 3.02 -1.11 -1.79 115.26 120.32 2b95 n ASN 103 Ca -0.05 0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 54.44 2b95 n ASN 103 Cb 0.60 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 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 -3.64 3.37 -0.08 3.52 0.04 -1.26 -4.39 135.00 132.56 2b95 s PRO 104 Ca 0.57 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.26 2b95 s PRO 104 Cb -0.20 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 2b95 s PRO 104 CO 0.67 -0.84 -0.02 0.25 0.04 0.00 0.00 177.00 177.10 2b95 n THR 105 N -1.27 0.49 1.20 1.26 -2.24 -1.26 -5.03 114.28 107.42 2b95 n THR 105 Ca 0.11 -0.25 0.10 0.00 -2.27 0.00 0.00 64.05 61.75 2b95 n THR 105 Cb 0.51 -0.81 0.57 0.00 -2.10 0.00 0.00 70.33 68.49 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71