#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 1.63 -0.24 -5.12 0.00 -2.05 -1.32 119.26 112.15 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 -0.17 1.49 0.00 0.00 0.00 179.25 180.57 2b95 h GLU 13 N 0.80 -0.15 -0.55 0.00 4.81 -2.06 0.17 114.58 117.60 2b95 h GLU 13 Ca 0.56 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.75 2b95 h GLU 13 Cb 0.82 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2b95 h GLU 13 CO -0.36 -0.10 0.12 0.28 -0.73 0.00 0.00 179.01 178.22 2b95 h VAL 14 N -0.16 1.23 -0.47 0.32 2.07 -1.72 -2.77 116.25 114.75 2b95 h VAL 14 Ca 0.13 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2b95 h VAL 14 Cb 0.36 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2b95 h VAL 14 CO -0.33 0.31 0.15 -0.33 0.02 0.00 0.00 177.57 177.39 2b95 h GLU 15 N 0.82 0.73 -0.82 1.57 5.08 -0.43 0.34 114.58 121.87 2b95 h GLU 15 Ca 0.18 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2b95 h GLU 15 Cb 0.32 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2b95 h GLU 15 CO 0.00 0.69 0.54 1.49 -1.00 0.00 0.00 179.01 180.73 2b95 h GLU 16 N 0.63 0.98 0.00 2.33 4.81 -0.46 -0.12 114.58 122.75 2b95 h GLU 16 Ca 0.15 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 2b95 h GLU 16 Cb 0.26 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2b95 h GLU 16 CO -0.01 0.65 -0.58 1.15 -0.73 0.00 0.00 179.01 179.49 2b95 h THR 17 N 1.01 1.01 -0.04 0.32 2.02 -1.22 -3.24 112.91 112.76 2b95 h THR 17 Ca 0.33 -2.40 -0.20 0.00 0.77 0.00 0.00 66.41 64.91 2b95 h THR 17 Cb 0.05 2.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2b95 h THR 17 CO -0.10 0.57 -0.83 -0.07 0.37 0.00 0.00 175.52 175.46 2b95 h LEU 18 N 0.00 0.46 0.08 2.58 4.07 0.12 -2.45 115.31 120.18 2b95 h LEU 18 Ca -0.01 -0.34 -0.00 0.00 0.08 0.00 0.00 57.88 57.61 2b95 h LEU 18 Cb 1.43 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.03 2b95 h LEU 18 CO 0.08 1.11 -0.04 0.50 -1.08 0.00 0.00 178.44 179.01 2b95 h LYS 19 N 0.23 -0.11 -0.12 1.13 3.64 -1.11 0.38 116.57 120.62 2b95 h LYS 19 Ca -0.05 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2b95 h LYS 19 Cb 1.44 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 2b95 h LYS 19 CO 0.14 0.07 -0.22 -0.09 -2.27 0.00 0.00 179.45 177.08 2b95 h ARG 20 N -0.27 0.21 0.16 1.90 9.65 -1.63 -1.14 114.38 123.27 2b95 h ARG 20 Ca -0.01 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2b95 h ARG 20 Cb 0.23 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2b95 h ARG 20 CO 0.02 0.43 -0.08 -0.07 2.80 0.00 0.00 179.97 183.07 2b95 h LEU 21 N 0.20 -0.18 -2.06 3.80 4.07 -1.20 -2.24 115.31 117.69 2b95 h LEU 21 Ca 0.03 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2b95 h LEU 21 Cb 0.51 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2b95 h LEU 21 CO 0.03 0.27 0.00 -0.61 -1.08 0.00 0.00 178.44 177.05 2b95 h GLN 22 N -0.69 0.00 0.00 1.13 4.15 -0.86 -1.86 115.11 116.98 2b95 h GLN 22 Ca -0.02 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2b95 h GLN 22 Cb 0.50 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2b95 h GLN 22 CO 0.04 0.00 -0.56 1.03 -1.93 0.00 0.00 178.83 177.41 2b95 h SER 23 N 0.00 0.00 -2.62 -0.69 0.87 -1.10 -3.46 113.55 106.55 2b95 h SER 23 Ca 0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 2b95 h SER 23 Cb 0.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2b95 h SER 23 CO 0.00 0.37 -0.37 0.00 -0.53 0.00 0.00 176.83 176.31 2b95 s GLN 24 N -3.04 3.48 0.40 2.24 -2.07 -0.70 -5.07 119.66 114.90 2b95 s GLN 24 Ca 0.03 -0.50 -0.23 0.00 -1.82 0.00 0.00 55.36 52.85 2b95 s GLN 24 Cb 0.07 -2.85 -0.10 0.00 -1.09 0.00 0.00 33.01 29.04 2b95 s GLN 24 CO 0.74 0.40 0.96 0.21 -1.32 0.00 0.00 175.29 176.28 2b95 s LYS 25 N -3.60 4.31 0.00 9.60 2.20 -1.26 -4.11 119.74 126.89 2b95 s LYS 25 Ca 0.37 1.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.21 2b95 s LYS 25 Cb -0.10 -2.41 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 2b95 s LYS 25 CO 0.30 0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 2b95 n GLY 26 N -0.14 3.25 3.66 5.54 0.00 -1.26 -4.99 105.19 111.25 2b95 n GLY 26 Ca 0.05 -0.92 -0.49 0.00 0.00 0.00 0.00 46.02 44.67 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 0.18 -0.06 1.61 0.31 -1.26 -2.64 118.33 116.47 2b95 n VAL 27 Ca 0.00 -0.03 -0.09 0.00 -0.01 0.00 0.00 64.34 64.21 2b95 n VAL 27 Cb 0.00 -1.44 -0.15 0.00 -0.91 0.00 0.00 33.84 31.34 2b95 n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b95 n GLN 28 N 4.23 0.66 0.00 5.55 6.02 0.84 -4.93 117.38 129.76 2b95 n GLN 28 Ca 0.20 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 2b95 n GLN 28 Cb 0.25 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.86 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 1.65 3.52 3.76 1.08 0.00 -1.16 -4.82 105.19 109.22 2b95 n GLY 29 Ca -0.25 -0.08 -0.35 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 -0.33 4.74 0.03 -0.61 1.09 -1.26 -2.31 121.20 122.55 2b95 s ILE 30 Ca 0.00 -0.15 0.04 0.00 -1.10 0.00 0.00 60.65 59.44 2b95 s ILE 30 Cb 0.00 -3.05 -0.02 0.00 -1.06 0.00 0.00 42.46 38.33 2b95 s ILE 30 CO 0.00 0.56 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.64 2b95 s ILE 31 N -0.99 1.02 -0.13 2.92 1.01 0.72 -2.75 121.20 123.00 2b95 s ILE 31 Ca 0.16 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 2b95 s ILE 31 Cb -0.12 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.46 2b95 s ILE 31 CO 0.05 0.03 -0.06 -0.69 0.00 0.00 0.00 174.94 174.27 2b95 s VAL 32 N -0.75 1.03 -0.08 2.92 1.01 0.95 -1.08 120.40 124.40 2b95 s VAL 32 Ca 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.59 2b95 s VAL 32 Cb -0.07 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2b95 s VAL 32 CO 0.01 0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 174.59 2b95 s VAL 33 N 1.69 3.53 0.45 2.92 1.01 -1.06 -0.89 120.40 128.04 2b95 s VAL 33 Ca 0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2b95 s VAL 33 Cb -0.14 -2.45 0.10 0.00 0.00 0.00 0.00 36.38 33.89 2b95 s VAL 33 CO -0.08 0.57 0.61 -0.46 0.00 0.00 0.00 175.10 175.74 2b95 n ASN 34 N 2.59 0.43 0.27 3.32 0.23 -0.97 -0.02 115.26 121.12 2b95 n ASN 34 Ca -0.18 -1.46 0.14 0.00 -0.53 0.00 0.00 54.58 52.56 2b95 n ASN 34 Cb 0.53 -0.43 0.74 0.00 -2.08 0.00 0.00 39.78 38.54 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 -0.90 0.45 0.00 5.53 1.35 -1.66 -1.89 112.91 115.80 2b95 h THR 35 Ca -0.20 -0.54 -0.07 0.00 -0.55 0.00 0.00 66.41 65.05 2b95 h THR 35 Cb 0.64 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 2b95 h THR 35 CO 0.18 0.10 -0.34 -0.33 -0.25 0.00 0.00 175.52 174.89 2b95 h GLU 36 N 0.00 0.00 0.00 4.72 5.08 -1.93 -3.47 114.58 118.98 2b95 h GLU 36 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2b95 h GLU 36 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2b95 h GLU 36 CO 0.01 0.34 0.00 0.41 -1.00 0.00 0.00 179.01 178.77 2b95 n GLY 37 N 0.97 0.50 3.73 -3.84 0.00 -0.71 -5.08 105.19 100.77 2b95 n GLY 37 Ca 0.02 0.00 -0.40 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 4.79 -1.12 -0.61 1.01 -1.26 -4.75 121.20 117.26 2b95 s ILE 38 Ca 0.00 1.69 -0.23 0.00 0.00 0.00 0.00 60.65 62.11 2b95 s ILE 38 Cb 0.00 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 2b95 s ILE 38 CO 0.00 0.31 1.94 -2.16 0.00 0.00 0.00 174.94 175.03 2b95 s PRO 39 N 0.27 2.51 0.41 2.79 0.04 -1.26 -2.29 135.00 137.47 2b95 s PRO 39 Ca 0.41 -0.95 0.19 0.00 0.04 0.00 0.00 61.00 60.68 2b95 s PRO 39 Cb -0.20 -5.20 1.12 0.00 0.04 0.00 0.00 34.50 30.25 2b95 s PRO 39 CO 0.23 -3.83 1.80 -0.84 0.04 0.00 0.00 177.00 174.40 2b95 h ILE 40 N 6.44 0.56 -3.33 0.56 3.07 -1.38 -3.41 117.51 120.03 2b95 h ILE 40 Ca 0.19 -0.13 -0.18 0.00 1.55 0.00 0.00 64.86 66.29 2b95 h ILE 40 Cb 0.95 0.15 -0.25 0.00 -0.27 0.00 0.00 36.82 37.40 2b95 h ILE 40 CO 1.22 0.07 -0.50 -0.54 -1.05 0.00 0.00 178.15 177.35 2b95 s LYS 41 N -5.45 0.26 -0.21 0.16 1.02 -1.12 -5.01 119.74 109.39 2b95 s LYS 41 Ca -0.08 0.14 -0.28 0.00 0.02 0.00 0.00 55.97 55.77 2b95 s LYS 41 Cb 0.24 0.12 0.12 0.00 -0.52 0.00 0.00 37.83 37.79 2b95 s LYS 41 CO 0.79 -0.04 0.97 0.45 -0.92 0.00 0.00 175.35 176.60 2b95 s SER 42 N -0.17 -0.45 -0.01 2.83 0.15 -1.26 -0.03 113.70 114.76 2b95 s SER 42 Ca -0.03 0.69 0.06 0.00 0.70 0.00 0.00 55.95 57.37 2b95 s SER 42 Cb -0.02 0.64 -0.08 0.00 -1.71 0.00 0.00 66.02 64.84 2b95 s SER 42 CO 0.01 -0.27 0.16 0.35 1.20 0.00 0.00 173.24 174.68 2b95 n THR 43 N 1.51 0.00 -0.26 6.45 -2.24 -1.11 -5.04 114.28 113.58 2b95 n THR 43 Ca -0.12 -0.21 -0.05 0.00 -2.27 0.00 0.00 64.05 61.40 2b95 n THR 43 Cb 0.57 0.57 0.04 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.51 -1.99 -1.11 -0.78 2.81 -1.26 -4.99 117.12 108.29 2b95 n MET 44 Ca -0.00 -0.25 -0.29 0.00 -1.81 0.00 0.00 57.70 55.35 2b95 n MET 44 Cb 0.13 -0.28 0.18 0.00 -0.71 0.00 0.00 33.22 32.55 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 -2.08 2.42 0.02 7.83 2.15 -1.26 -4.79 116.67 120.96 2b95 s ASP 45 Ca 0.11 1.21 -0.27 0.00 0.43 0.00 0.00 52.55 54.03 2b95 s ASP 45 Cb -0.02 -1.89 -0.16 0.00 -0.30 0.00 0.00 42.92 40.56 2b95 s ASP 45 CO 0.09 -3.26 1.20 -1.13 -0.17 0.00 0.00 175.17 171.89 2b95 h ASN 46 N -1.98 -0.65 0.73 -0.34 -0.00 -1.99 -0.49 115.58 110.86 2b95 h ASN 46 Ca -0.55 -0.04 -0.05 0.00 -0.00 0.00 0.00 56.30 55.66 2b95 h ASN 46 Cb 1.33 0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 39.81 2b95 h ASN 46 CO 0.57 -0.29 -0.24 1.55 -0.00 0.00 0.00 177.43 179.01 2b95 h PRO 47 N -1.05 0.00 0.06 6.67 0.13 -2.00 -2.86 132.00 132.94 2b95 h PRO 47 Ca -0.08 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.78 2b95 h PRO 47 Cb 0.65 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.80 2b95 h PRO 47 CO 0.13 0.24 -1.11 1.15 -0.23 0.00 0.00 178.00 178.18 2b95 h THR 48 N 0.00 1.33 0.09 1.56 2.02 -1.93 -2.98 112.91 113.00 2b95 h THR 48 Ca -0.00 -2.44 -0.00 0.00 0.77 0.00 0.00 66.41 64.73 2b95 h THR 48 Cb 0.68 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2b95 h THR 48 CO 0.03 0.74 -0.04 0.74 0.37 0.00 0.00 175.52 177.36 2b95 h THR 49 N 0.29 1.09 -0.59 3.16 2.02 -0.98 0.15 112.91 118.05 2b95 h THR 49 Ca -0.14 -0.66 0.07 0.00 0.77 0.00 0.00 66.41 66.45 2b95 h THR 49 Cb 1.77 1.52 -0.06 0.00 -1.74 0.00 0.00 68.15 69.64 2b95 h THR 49 CO 0.21 0.16 0.27 0.74 0.37 0.00 0.00 175.52 177.27 2b95 h THR 50 N -0.42 0.87 -0.38 3.16 2.02 -1.62 0.19 112.91 116.73 2b95 h THR 50 Ca -0.01 -0.17 -0.16 0.00 0.77 0.00 0.00 66.41 66.83 2b95 h THR 50 Cb 0.35 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2b95 h THR 50 CO 0.02 0.09 -0.40 -0.61 0.37 0.00 0.00 175.52 174.99 2b95 h GLN 51 N 0.50 0.94 0.28 6.66 4.15 -1.49 -1.23 115.11 124.92 2b95 h GLN 51 Ca 0.28 -0.50 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 2b95 h GLN 51 Cb 0.27 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.98 2b95 h GLN 51 CO -0.23 1.16 -0.13 1.88 -1.93 0.00 0.00 178.83 179.57 2b95 h TYR 52 N 0.77 -0.35 0.00 3.99 -1.99 -0.02 -2.08 116.97 117.29 2b95 h TYR 52 Ca 0.06 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2b95 h TYR 52 Cb 1.00 0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.84 2b95 h TYR 52 CO 0.06 -0.12 0.00 0.00 -0.00 0.00 0.00 178.16 178.10 2b95 h ALA 53 N 0.18 1.00 -0.11 3.88 0.00 -0.69 0.28 119.26 123.81 2b95 h ALA 53 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2b95 h ALA 53 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2b95 h ALA 53 CO 0.06 0.00 -0.66 0.77 0.00 0.00 0.00 179.25 179.43 2b95 h SER 54 N 0.00 0.76 0.56 0.00 0.02 -0.78 -2.88 113.55 111.24 2b95 h SER 54 Ca 0.00 -0.65 -0.22 0.00 -0.84 0.00 0.00 61.79 60.07 2b95 h SER 54 Cb 0.38 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 2b95 h SER 54 CO 0.00 1.30 -1.60 0.00 -1.14 0.00 0.00 176.83 175.39 2b95 n LEU 55 N -4.09 0.79 0.30 5.07 -0.00 -0.82 -3.71 117.00 114.53 2b95 n LEU 55 Ca -0.08 0.36 -0.12 0.00 -0.00 0.00 0.00 56.01 56.17 2b95 n LEU 55 Cb 0.68 0.13 -0.06 0.00 -0.00 0.00 0.00 43.42 44.18 2b95 n LEU 55 CO 0.50 0.25 0.43 0.24 -0.00 0.00 0.00 177.39 178.80 2b95 h MET 56 N 0.00 -0.74 -0.62 1.47 2.86 -0.54 0.11 114.93 117.47 2b95 h MET 56 Ca -0.23 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.61 2b95 h MET 56 Cb 1.77 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 33.57 2b95 h MET 56 CO 0.06 -0.50 0.43 1.25 1.06 0.00 0.00 176.91 179.21 2b95 h HIS 57 N -0.91 0.25 0.00 -0.22 -0.00 -1.71 0.24 115.15 112.80 2b95 h HIS 57 Ca -0.08 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.22 2b95 h HIS 57 Cb 0.59 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 2b95 h HIS 57 CO 0.06 0.10 -0.36 1.03 -0.00 0.00 0.00 177.93 178.76 2b95 h SER 58 N 0.22 0.00 0.74 3.26 0.87 -1.61 -3.20 113.55 113.82 2b95 h SER 58 Ca 0.30 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2b95 h SER 58 Cb 0.88 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2b95 h SER 58 CO -0.06 0.36 -0.36 0.15 -0.53 0.00 0.00 176.83 176.40 2b95 h PHE 59 N 0.00 -0.92 -0.98 2.24 3.04 0.22 -1.50 116.94 119.04 2b95 h PHE 59 Ca -0.00 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.96 2b95 h PHE 59 Cb 1.13 0.30 -0.06 0.00 2.56 0.00 0.00 35.95 39.89 2b95 h PHE 59 CO 0.00 -0.57 0.64 0.82 -2.02 0.00 0.00 178.31 177.18 2b95 h ILE 60 N -1.00 1.17 -0.55 1.41 2.04 -1.64 -0.22 117.51 118.73 2b95 h ILE 60 Ca -0.10 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.35 2b95 h ILE 60 Cb 0.76 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 2b95 h ILE 60 CO 0.17 0.23 0.36 0.25 0.00 0.00 0.00 178.15 179.15 2b95 h LEU 61 N 1.24 0.59 0.04 1.44 5.85 -1.51 0.26 115.31 123.22 2b95 h LEU 61 Ca 0.39 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.10 2b95 h LEU 61 Cb 0.00 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2b95 h LEU 61 CO -0.12 0.42 -0.02 0.11 -0.34 0.00 0.00 178.44 178.48 2b95 h LYS 62 N 0.69 -0.06 -0.97 1.25 6.56 -0.25 -3.25 116.57 120.55 2b95 h LYS 62 Ca 0.21 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.86 2b95 h LYS 62 Cb -0.01 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 31.60 2b95 h LYS 62 CO -0.05 0.55 0.63 0.00 -2.06 0.00 0.00 179.45 178.52 2b95 h ALA 63 N -0.25 1.33 -0.24 3.86 0.00 -0.94 -2.64 119.26 120.39 2b95 h ALA 63 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2b95 h ALA 63 Cb 0.63 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2b95 h ALA 63 CO 0.01 0.44 -0.26 -0.09 0.00 0.00 0.00 179.25 179.35 2b95 h ARG 64 N 1.16 -0.26 -0.49 0.00 2.43 -0.59 0.31 114.38 116.94 2b95 h ARG 64 Ca 0.41 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.74 2b95 h ARG 64 Cb 0.13 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2b95 h ARG 64 CO -0.16 -0.17 0.41 1.03 -1.51 0.00 0.00 179.97 179.57 2b95 h SER 65 N -0.27 0.00 0.17 -3.80 0.87 -1.50 -0.85 113.55 108.16 2b95 h SER 65 Ca 0.13 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.41 2b95 h SER 65 Cb 0.48 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2b95 h SER 65 CO -0.39 0.00 -1.36 0.74 -0.53 0.00 0.00 176.83 175.29 2b95 h THR 66 N 0.00 1.19 0.16 2.23 2.02 -0.65 -3.26 112.91 114.60 2b95 h THR 66 Ca 0.23 -2.53 0.01 0.00 0.77 0.00 0.00 66.41 64.90 2b95 h THR 66 Cb 1.06 2.92 -0.04 0.00 -1.74 0.00 0.00 68.15 70.35 2b95 h THR 66 CO -0.00 0.77 -0.47 0.58 0.37 0.00 0.00 175.52 176.76 2b95 h VAL 67 N -0.12 0.08 -0.17 3.16 2.07 0.90 0.07 116.25 122.24 2b95 h VAL 67 Ca -0.26 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2b95 h VAL 67 Cb 1.91 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2b95 h VAL 67 CO 0.16 0.00 0.21 0.08 0.02 0.00 0.00 177.57 178.05 2b95 h ARG 68 N -0.73 0.00 0.00 1.57 0.11 -1.62 0.20 114.38 113.91 2b95 h ARG 68 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.03 2b95 h ARG 68 Cb 0.74 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.81 2b95 h ARG 68 CO -0.24 0.00 -0.26 -0.44 0.10 0.00 0.00 179.97 179.12 2b95 h ASP 69 N 0.00 0.00 -0.13 0.08 3.32 -1.03 -3.11 116.42 115.54 2b95 h ASP 69 Ca 0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2b95 h ASP 69 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 2b95 h ASP 69 CO -0.00 0.26 -0.09 0.40 -1.72 0.00 0.00 179.24 178.09 2b95 h ILE 70 N 0.00 1.33 -3.42 0.35 2.04 -0.19 -3.47 117.51 114.14 2b95 h ILE 70 Ca -0.00 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 2b95 h ILE 70 Cb 0.70 1.83 -0.13 0.00 -0.74 0.00 0.00 36.82 38.48 2b95 h ILE 70 CO 0.03 0.34 -0.09 -1.81 0.00 0.00 0.00 178.15 176.63 2b95 s ASP 71 N -5.99 -0.21 0.38 1.72 1.01 -1.18 -5.03 116.67 107.37 2b95 s ASP 71 Ca -0.14 -0.37 0.28 0.00 0.71 0.00 0.00 52.55 53.03 2b95 s ASP 71 Cb 0.05 0.47 1.17 0.00 1.01 0.00 0.00 42.92 45.62 2b95 s ASP 71 CO 0.73 -0.86 1.83 1.55 0.21 0.00 0.00 175.17 178.63 2b95 h PRO 72 N 2.38 0.00 -4.21 8.23 0.13 -1.92 -3.42 132.00 133.19 2b95 h PRO 72 Ca -0.33 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.26 2b95 h PRO 72 Cb 1.25 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.01 2b95 h PRO 72 CO 0.47 0.00 -0.80 -0.65 -0.23 0.00 0.00 178.00 176.79 2b95 s GLN 73 N -3.47 1.51 -0.22 0.86 -0.21 -1.26 -5.10 119.66 111.76 2b95 s GLN 73 Ca 0.03 -0.37 -0.37 0.00 0.02 0.00 0.00 55.36 54.67 2b95 s GLN 73 Cb 0.09 -1.77 0.15 0.00 1.00 0.00 0.00 33.01 32.48 2b95 s GLN 73 CO 0.45 -0.33 1.39 -0.80 -2.12 0.00 0.00 175.29 173.87 2b95 s ASN 74 N 1.67 -0.02 0.24 5.90 0.01 -1.26 -5.09 114.94 116.39 2b95 s ASN 74 Ca 0.03 -0.01 -0.08 0.00 -0.71 0.00 0.00 52.86 52.10 2b95 s ASN 74 Cb -0.14 0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.53 2b95 s ASN 74 CO -0.08 -0.04 0.36 -0.62 -1.51 0.00 0.00 177.10 175.21 2b95 s ASP 75 N -2.31 0.12 -0.12 -1.22 2.15 -1.26 -4.96 116.67 109.07 2b95 s ASP 75 Ca 0.13 -1.15 0.03 0.00 0.43 0.00 0.00 52.55 51.99 2b95 s ASP 75 Cb 0.01 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 2b95 s ASP 75 CO -0.04 -1.06 -0.23 -0.76 -0.17 0.00 0.00 175.17 172.91 2b95 s LEU 76 N -3.09 2.10 0.00 -1.34 2.01 -1.26 -4.96 118.68 112.13 2b95 s LEU 76 Ca 0.29 -0.58 0.00 0.00 0.01 0.00 0.00 54.13 53.85 2b95 s LEU 76 Cb 0.02 -1.42 0.00 0.00 0.01 0.00 0.00 46.19 44.80 2b95 s LEU 76 CO 0.11 0.13 0.62 1.07 1.01 0.00 0.00 176.35 179.29 2b95 n THR 77 N 3.73 0.00 -3.64 5.49 5.66 -1.26 -4.64 114.28 119.62 2b95 n THR 77 Ca -0.19 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.83 2b95 n THR 77 Cb 0.52 0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 69.88 2b95 n THR 77 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2b95 s PHE 78 N 0.00 -0.03 -0.29 1.09 0.08 -1.26 -4.81 117.98 112.76 2b95 s PHE 78 Ca 0.00 0.05 0.05 0.00 0.12 0.00 0.00 56.93 57.15 2b95 s PHE 78 Cb 0.00 0.02 0.19 0.00 -0.57 0.00 0.00 43.02 42.66 2b95 s PHE 78 CO 0.00 -0.01 0.57 -1.17 -0.10 0.00 0.00 175.22 174.51 2b95 s LEU 79 N 1.04 -1.53 0.32 -0.37 2.96 -0.34 -4.98 118.68 115.78 2b95 s LEU 79 Ca -0.08 0.19 0.10 0.00 -0.22 0.00 0.00 54.13 54.13 2b95 s LEU 79 Cb -0.02 1.95 -0.06 0.00 0.50 0.00 0.00 46.19 48.56 2b95 s LEU 79 CO -0.09 -0.30 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.38 2b95 s ARG 80 N 2.80 1.81 -0.37 1.98 0.52 -1.26 -0.54 118.95 123.89 2b95 s ARG 80 Ca 0.11 -1.84 0.03 0.00 -0.52 0.00 0.00 55.73 53.51 2b95 s ARG 80 Cb -0.11 -1.77 0.16 0.00 0.52 0.00 0.00 34.95 33.75 2b95 s ARG 80 CO -0.26 0.22 0.39 0.96 0.02 0.00 0.00 175.30 176.63 2b95 s ILE 81 N -2.55 -0.39 0.17 1.52 -4.36 -0.38 -4.98 121.20 110.24 2b95 s ILE 81 Ca 0.32 -0.90 -0.31 0.00 -0.26 0.00 0.00 60.65 59.50 2b95 s ILE 81 Cb -0.01 -0.64 -0.10 0.00 1.25 0.00 0.00 42.46 42.96 2b95 s ILE 81 CO 0.16 -0.53 1.51 -0.13 0.24 0.00 0.00 174.94 176.19 2b95 s ARG 82 N 1.51 4.25 0.10 0.37 3.00 -1.26 -3.44 118.95 123.47 2b95 s ARG 82 Ca 0.16 2.29 0.01 0.00 0.00 0.00 0.00 55.73 58.19 2b95 s ARG 82 Cb -0.14 -3.17 0.01 0.00 0.00 0.00 0.00 34.95 31.65 2b95 s ARG 82 CO -0.05 -0.54 0.09 0.43 0.00 0.00 0.00 175.30 175.23 2b95 n SER 83 N 3.68 1.19 0.16 0.23 7.64 -0.64 -4.98 113.62 120.89 2b95 n SER 83 Ca 0.12 -1.34 0.04 0.00 1.01 0.00 0.00 58.87 58.70 2b95 n SER 83 Cb 0.40 -0.02 0.12 0.00 -1.01 0.00 0.00 64.21 63.70 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 -2.03 -3.38 116.57 114.15 2b95 h LYS 84 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2b95 h LYS 84 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2b95 h LYS 84 CO 0.10 0.43 -0.30 1.63 -0.57 0.00 0.00 179.45 180.74 2b95 n LYS 85 N -3.27 0.23 -4.19 3.15 4.76 -1.26 -5.07 118.16 112.51 2b95 n LYS 85 Ca 0.02 0.32 -0.14 0.00 -2.87 0.00 0.00 58.31 55.64 2b95 n LYS 85 Cb 0.66 -1.16 -0.08 0.00 -1.84 0.00 0.00 35.03 32.62 2b95 n LYS 85 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2b95 s ASN 86 N -4.67 0.72 0.17 4.39 4.22 -1.26 -4.49 114.94 114.01 2b95 s ASN 86 Ca -0.09 -1.47 -0.05 0.00 -2.14 0.00 0.00 52.86 49.12 2b95 s ASN 86 Cb 0.01 0.50 -0.05 0.00 1.28 0.00 0.00 41.25 42.99 2b95 s ASN 86 CO 0.13 -1.02 0.40 -1.83 -2.04 0.00 0.00 177.10 172.75 2b95 s GLU 87 N -3.74 3.62 -0.26 3.55 4.04 -0.72 -1.63 118.70 123.56 2b95 s GLU 87 Ca 0.36 -0.09 -0.01 0.00 0.04 0.00 0.00 54.97 55.27 2b95 s GLU 87 Cb 0.04 -2.82 0.08 0.00 0.02 0.00 0.00 34.13 31.45 2b95 s GLU 87 CO 0.18 0.43 0.05 0.42 -1.84 0.00 0.00 175.26 174.49 2b95 s ILE 88 N -1.74 0.94 -0.08 1.83 -1.09 -1.22 -3.46 121.20 116.39 2b95 s ILE 88 Ca 0.41 -1.13 -0.15 0.00 -2.23 0.00 0.00 60.65 57.56 2b95 s ILE 88 Cb -0.12 -1.52 -0.05 0.00 -1.58 0.00 0.00 42.46 39.19 2b95 s ILE 88 CO 0.25 -0.41 0.39 0.00 -1.23 0.00 0.00 174.94 173.94 2b95 s MET 89 N 1.63 4.09 -0.13 2.79 0.23 -1.23 -1.24 119.30 125.43 2b95 s MET 89 Ca 0.03 0.32 -0.04 0.00 -1.03 0.00 0.00 55.69 54.98 2b95 s MET 89 Cb -0.18 -3.33 0.06 0.00 -1.53 0.00 0.00 34.83 29.86 2b95 s MET 89 CO -0.15 0.44 0.16 0.08 -2.03 0.00 0.00 175.02 173.52 2b95 s VAL 90 N -0.25 -0.24 -0.02 5.16 1.01 0.30 -3.26 120.40 123.10 2b95 s VAL 90 Ca 0.22 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.36 2b95 s VAL 90 Cb -0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 2b95 s VAL 90 CO 0.10 -0.04 -0.14 0.00 0.00 0.00 0.00 175.10 175.02 2b95 s ALA 91 N 2.27 1.23 -0.61 5.51 0.00 -1.24 -1.20 121.76 127.71 2b95 s ALA 91 Ca 0.04 -0.58 -0.27 0.00 0.00 0.00 0.00 51.96 51.16 2b95 s ALA 91 Cb -0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2b95 s ALA 91 CO -0.08 0.25 1.86 -1.25 0.00 0.00 0.00 175.76 176.54 2b95 s PRO 92 N -0.09 2.64 0.00 0.00 0.04 -1.26 -3.28 135.00 133.04 2b95 s PRO 92 Ca 0.01 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2b95 s PRO 92 Cb -0.08 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2b95 s PRO 92 CO 0.01 -2.72 0.00 -3.47 0.04 0.00 0.00 177.00 170.85 2b95 n ASP 93 N 12.72 -0.39 -0.08 6.66 -0.08 0.62 -4.88 116.55 131.12 2b95 n ASP 93 Ca 0.20 -0.66 -0.07 0.00 -1.51 0.00 0.00 54.79 52.76 2b95 n ASP 93 Cb 0.52 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.97 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 -3.36 116.57 111.89 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 -0.13 -0.17 -0.40 -0.57 0.00 0.00 179.45 178.17 2b95 n ASP 95 N -5.38 0.00 -3.58 0.86 5.75 -1.26 -5.12 116.55 107.81 2b95 n ASP 95 Ca 0.00 -1.35 -0.16 0.00 -0.01 0.00 0.00 54.79 53.28 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 1.36 -0.13 2.11 1.13 -1.26 -1.63 117.35 118.93 2b95 s TYR 96 Ca 0.00 -1.45 0.03 0.00 -1.41 0.00 0.00 57.07 54.24 2b95 s TYR 96 Cb 0.00 -0.47 0.01 0.00 -1.10 0.00 0.00 41.96 40.39 2b95 s TYR 96 CO 0.00 -0.88 -0.22 -0.06 -2.51 0.00 0.00 175.55 171.88 2b95 s PHE 97 N -3.57 2.57 -0.43 -3.49 0.08 0.98 -0.28 117.98 113.83 2b95 s PHE 97 Ca 0.37 -1.24 -0.20 0.00 0.12 0.00 0.00 56.93 55.98 2b95 s PHE 97 Cb 0.03 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 2b95 s PHE 97 CO 0.21 -0.56 0.60 -1.17 -0.10 0.00 0.00 175.22 174.20 2b95 s LEU 98 N 0.73 4.56 -0.39 -0.37 1.98 -1.21 -2.57 118.68 121.42 2b95 s LEU 98 Ca -0.10 -0.38 -0.04 0.00 -2.89 0.00 0.00 54.13 50.72 2b95 s LEU 98 Cb -0.16 -2.66 0.09 0.00 0.66 0.00 0.00 46.19 44.12 2b95 s LEU 98 CO 0.00 -0.73 0.18 -0.63 -1.89 0.00 0.00 176.35 173.28 2b95 s ILE 99 N 2.68 3.46 -0.31 6.68 1.09 -0.24 -3.70 121.20 130.86 2b95 s ILE 99 Ca 0.21 -1.77 -0.06 0.00 -1.10 0.00 0.00 60.65 57.92 2b95 s ILE 99 Cb -0.15 -3.24 0.02 0.00 -1.06 0.00 0.00 42.46 38.03 2b95 s ILE 99 CO 0.18 -0.54 0.08 -0.69 -0.10 0.00 0.00 174.94 173.87 2b95 s VAL 100 N 1.23 3.85 -0.14 2.92 1.01 -1.20 -0.20 120.40 127.87 2b95 s VAL 100 Ca 0.04 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 2b95 s VAL 100 Cb -0.22 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2b95 s VAL 100 CO -0.02 -0.02 0.15 -0.63 0.00 0.00 0.00 175.10 174.58 2b95 s ILE 101 N 1.45 5.47 0.13 2.22 1.01 -0.98 -3.51 121.20 127.00 2b95 s ILE 101 Ca 0.01 0.23 -0.25 0.00 0.00 0.00 0.00 60.65 60.64 2b95 s ILE 101 Cb -0.18 -3.43 0.08 0.00 0.01 0.00 0.00 42.46 38.94 2b95 s ILE 101 CO 0.02 0.57 1.05 0.00 0.00 0.00 0.00 174.94 176.58 2b95 s GLN 102 N -0.65 1.08 0.97 2.79 -2.07 -1.22 -0.11 119.66 120.44 2b95 s GLN 102 Ca 0.14 -0.64 -0.13 0.00 -1.82 0.00 0.00 55.36 52.90 2b95 s GLN 102 Cb -0.12 0.34 0.04 0.00 -1.09 0.00 0.00 33.01 32.18 2b95 s GLN 102 CO 0.03 -0.50 0.34 0.09 -1.32 0.00 0.00 175.29 173.93 2b95 n ASN 103 N -0.75 -2.22 -4.77 12.60 3.02 -1.08 -1.76 115.26 120.30 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 0.61 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 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 -3.58 3.35 -0.10 3.52 0.04 -1.26 -4.33 135.00 132.65 2b95 s PRO 104 Ca 0.56 1.61 0.05 0.00 0.04 0.00 0.00 61.00 63.26 2b95 s PRO 104 Cb -0.20 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 2b95 s PRO 104 CO 0.68 -0.85 -0.03 0.25 0.04 0.00 0.00 177.00 177.09 2b95 n THR 105 N -1.31 0.62 0.00 1.26 -2.24 -1.26 -5.02 114.28 106.34 2b95 n THR 105 Ca 0.12 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2b95 n THR 105 Cb 0.51 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71