#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 1.55 -0.23 3.04 0.00 -2.05 -1.34 119.26 120.22 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 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 2b95 h ALA 12 CO 0.00 0.02 -0.17 1.49 0.00 0.00 0.00 179.25 180.59 2b95 h GLU 13 N 0.80 -0.17 -0.57 0.00 4.81 -2.05 0.14 114.58 117.54 2b95 h GLU 13 Ca 0.53 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.71 2b95 h GLU 13 Cb 0.73 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2b95 h GLU 13 CO -0.35 -0.11 0.09 0.28 -0.73 0.00 0.00 179.01 178.20 2b95 h VAL 14 N -0.17 1.24 -0.52 0.32 2.07 -1.74 -2.10 116.25 115.35 2b95 h VAL 14 Ca 0.13 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 2b95 h VAL 14 Cb 0.37 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2b95 h VAL 14 CO -0.33 0.34 0.13 -0.33 0.02 0.00 0.00 177.57 177.40 2b95 h GLU 15 N 0.86 0.80 -0.08 1.57 5.08 -0.33 0.18 114.58 122.66 2b95 h GLU 15 Ca 0.18 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 2b95 h GLU 15 Cb 0.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2b95 h GLU 15 CO 0.01 0.72 -0.62 1.49 -1.00 0.00 0.00 179.01 179.61 2b95 h GLU 16 N 0.77 0.28 0.00 2.33 4.81 -0.40 -2.45 114.58 119.92 2b95 h GLU 16 Ca 0.17 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 2b95 h GLU 16 Cb 0.28 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2b95 h GLU 16 CO -0.00 0.81 -0.52 1.15 -0.73 0.00 0.00 179.01 179.72 2b95 h THR 17 N 0.21 0.93 0.06 0.32 2.02 -0.94 -2.95 112.91 112.56 2b95 h THR 17 Ca -0.01 -2.18 -0.00 0.00 0.77 0.00 0.00 66.41 64.99 2b95 h THR 17 Cb 1.14 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2b95 h THR 17 CO 0.10 0.51 -0.03 0.25 0.37 0.00 0.00 175.52 176.72 2b95 h LEU 18 N 0.00 -0.07 -2.18 2.58 5.85 -0.86 -1.16 115.31 119.47 2b95 h LEU 18 Ca -0.01 -0.57 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 2b95 h LEU 18 Cb 1.32 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2b95 h LEU 18 CO 0.07 0.61 -0.05 0.11 -0.34 0.00 0.00 178.44 178.85 2b95 h LYS 19 N -0.84 0.00 0.12 1.25 1.57 -1.55 0.24 116.57 117.37 2b95 h LYS 19 Ca -0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 2b95 h LYS 19 Cb 0.63 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.96 2b95 h LYS 19 CO 0.01 0.05 -0.81 -0.09 -0.57 0.00 0.00 179.45 178.04 2b95 h ARG 20 N 0.00 0.26 -0.23 3.15 9.65 -1.55 -3.27 114.38 122.39 2b95 h ARG 20 Ca -0.00 -0.44 -0.07 0.00 -1.10 0.00 0.00 59.98 58.37 2b95 h ARG 20 Cb 0.10 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2b95 h ARG 20 CO 0.01 1.21 -0.13 -0.07 2.80 0.00 0.00 179.97 183.78 2b95 h LEU 21 N -0.44 0.51 -1.68 3.80 4.07 -0.81 -2.96 115.31 117.80 2b95 h LEU 21 Ca -0.15 -0.42 0.23 0.00 0.08 0.00 0.00 57.88 57.62 2b95 h LEU 21 Cb 1.58 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 43.12 2b95 h LEU 21 CO 0.12 0.82 0.62 1.56 -1.08 0.00 0.00 178.44 180.48 2b95 h GLN 22 N 0.19 0.24 -0.09 1.13 7.50 -0.67 0.25 115.11 123.66 2b95 h GLN 22 Ca 0.05 -0.01 -0.18 0.00 0.50 0.00 0.00 58.65 59.01 2b95 h GLN 22 Cb 0.64 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 2b95 h GLN 22 CO 0.04 0.16 -0.69 1.03 -1.50 0.00 0.00 178.83 177.86 2b95 h SER 23 N 0.25 0.48 -3.74 1.46 0.87 -1.57 -3.45 113.55 107.85 2b95 h SER 23 Ca 0.46 -0.31 -0.55 0.00 -1.23 0.00 0.00 61.79 60.16 2b95 h SER 23 Cb 1.40 -0.14 0.18 0.00 -0.44 0.00 0.00 62.40 63.40 2b95 h SER 23 CO -0.13 1.03 0.07 0.00 -0.53 0.00 0.00 176.83 177.28 2b95 n GLN 24 N -3.86 0.50 -3.39 2.24 6.02 0.88 -4.96 117.38 114.81 2b95 n GLN 24 Ca -0.04 0.22 -0.41 0.00 -0.01 0.00 0.00 57.00 56.77 2b95 n GLN 24 Cb 0.69 -2.20 -0.09 0.00 1.02 0.00 0.00 30.24 29.65 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 -3.30 3.61 0.00 -1.09 2.20 -1.26 -4.16 119.74 115.74 2b95 s LYS 25 Ca 0.73 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 2b95 s LYS 25 Cb -0.35 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 2b95 s LYS 25 CO 0.51 -0.51 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 2b95 n GLY 26 N 4.93 1.42 3.64 5.54 0.00 -1.26 -4.94 105.19 114.52 2b95 n GLY 26 Ca -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 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 0.06 -0.05 1.61 0.31 -1.26 -2.58 118.33 116.42 2b95 n VAL 27 Ca 0.00 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 2b95 n VAL 27 Cb 0.00 -1.29 -0.15 0.00 -0.91 0.00 0.00 33.84 31.50 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 3.43 0.66 0.00 5.55 6.02 0.81 -4.92 117.38 128.93 2b95 n GLN 28 Ca 0.18 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 2b95 n GLN 28 Cb 0.24 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 1.64 3.83 3.54 1.08 0.00 -1.17 -4.75 105.19 109.36 2b95 n GLY 29 Ca -0.24 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.38 3.84 0.03 -0.61 1.01 -1.26 -2.47 121.20 120.36 2b95 s ILE 30 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.33 2b95 s ILE 30 Cb 0.00 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2b95 s ILE 30 CO 0.00 0.54 -0.24 -0.63 0.00 0.00 0.00 174.94 174.62 2b95 s ILE 31 N -0.17 1.90 -0.07 2.92 1.01 -0.74 -1.26 121.20 124.79 2b95 s ILE 31 Ca 0.03 -1.23 -0.00 0.00 0.00 0.00 0.00 60.65 59.45 2b95 s ILE 31 Cb -0.13 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.75 2b95 s ILE 31 CO 0.03 0.34 -0.04 -0.69 0.00 0.00 0.00 174.94 174.58 2b95 s VAL 32 N -0.74 0.61 -0.01 2.92 1.01 0.96 -1.14 120.40 124.00 2b95 s VAL 32 Ca 0.10 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2b95 s VAL 32 Cb -0.09 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2b95 s VAL 32 CO 0.01 0.28 -0.24 -0.69 0.00 0.00 0.00 175.10 174.46 2b95 s VAL 33 N 1.48 1.87 0.41 2.92 1.01 -1.12 -1.28 120.40 125.70 2b95 s VAL 33 Ca -0.02 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2b95 s VAL 33 Cb -0.13 -1.57 0.09 0.00 0.00 0.00 0.00 36.38 34.77 2b95 s VAL 33 CO -0.04 0.49 0.56 -0.46 0.00 0.00 0.00 175.10 175.65 2b95 n ASN 34 N 2.38 0.51 0.22 3.32 0.23 -0.93 -0.04 115.26 120.95 2b95 n ASN 34 Ca -0.16 -1.49 0.06 0.00 -0.53 0.00 0.00 54.58 52.47 2b95 n ASN 34 Cb 0.52 -0.39 0.51 0.00 -2.08 0.00 0.00 39.78 38.35 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 -0.76 1.03 0.00 5.53 1.35 -1.75 -1.99 112.91 116.32 2b95 h THR 35 Ca -0.18 -0.79 -0.07 0.00 -0.55 0.00 0.00 66.41 64.82 2b95 h THR 35 Cb 0.62 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 2b95 h THR 35 CO 0.17 0.22 -0.33 -0.33 -0.25 0.00 0.00 175.52 175.00 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 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2b95 h GLU 36 CO 0.03 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 2b95 n GLY 37 N 0.26 0.60 3.74 -3.84 0.00 -0.75 -5.08 105.19 100.13 2b95 n GLY 37 Ca 0.00 0.00 -0.40 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 4.84 -1.08 -0.61 1.01 -1.26 -4.76 121.20 117.34 2b95 s ILE 38 Ca 0.00 1.58 -0.23 0.00 0.00 0.00 0.00 60.65 62.00 2b95 s ILE 38 Cb 0.00 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 2b95 s ILE 38 CO 0.00 0.32 1.94 -2.16 0.00 0.00 0.00 174.94 175.04 2b95 s PRO 39 N 0.26 2.51 0.36 2.79 0.04 -1.26 -2.18 135.00 137.52 2b95 s PRO 39 Ca 0.39 -0.85 0.13 0.00 0.04 0.00 0.00 61.00 60.71 2b95 s PRO 39 Cb -0.20 -5.18 0.96 0.00 0.04 0.00 0.00 34.50 30.13 2b95 s PRO 39 CO 0.22 -3.77 1.78 -0.84 0.04 0.00 0.00 177.00 174.42 2b95 h ILE 40 N 6.56 0.60 -3.10 0.56 3.07 -1.54 -3.42 117.51 120.25 2b95 h ILE 40 Ca 0.17 -0.18 -0.12 0.00 1.55 0.00 0.00 64.86 66.28 2b95 h ILE 40 Cb 0.96 0.02 -0.20 0.00 -0.27 0.00 0.00 36.82 37.33 2b95 h ILE 40 CO 1.22 0.10 -0.31 -0.75 -1.05 0.00 0.00 178.15 177.36 2b95 s LYS 41 N -5.63 0.63 -0.22 0.16 2.20 -1.13 -5.03 119.74 110.71 2b95 s LYS 41 Ca -0.10 -0.19 -0.27 0.00 -0.36 0.00 0.00 55.97 55.06 2b95 s LYS 41 Cb 0.25 0.28 0.12 0.00 -1.51 0.00 0.00 37.83 36.97 2b95 s LYS 41 CO 0.80 -0.17 0.98 0.45 -0.36 0.00 0.00 175.35 177.05 2b95 s SER 42 N -1.25 -0.45 -0.02 1.43 0.15 -1.26 -0.03 113.70 112.27 2b95 s SER 42 Ca -0.13 0.73 0.13 0.00 0.70 0.00 0.00 55.95 57.37 2b95 s SER 42 Cb -0.05 0.69 -0.19 0.00 -1.71 0.00 0.00 66.02 64.75 2b95 s SER 42 CO 0.04 -0.25 0.27 0.35 1.20 0.00 0.00 173.24 174.84 2b95 n THR 43 N 1.64 0.03 -0.21 6.45 -2.24 -0.39 -5.00 114.28 114.55 2b95 n THR 43 Ca -0.12 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2b95 n THR 43 Cb 0.57 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.96 -1.47 -1.77 -0.78 2.81 -1.26 -4.90 117.12 107.79 2b95 n MET 44 Ca -0.03 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.57 2b95 n MET 44 Cb 0.35 0.00 0.16 0.00 -0.71 0.00 0.00 33.22 33.02 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 -1.78 3.20 0.03 7.83 2.15 -1.26 -4.81 116.67 122.04 2b95 s ASP 45 Ca 0.00 0.51 -0.29 0.00 0.43 0.00 0.00 52.55 53.20 2b95 s ASP 45 Cb 0.00 -0.75 -0.17 0.00 -0.30 0.00 0.00 42.92 41.71 2b95 s ASP 45 CO 0.00 -2.70 1.31 -1.13 -0.17 0.00 0.00 175.17 172.48 2b95 h ASN 46 N -1.61 -0.74 0.71 -0.34 -0.00 -1.99 -0.06 115.58 111.56 2b95 h ASN 46 Ca -0.46 -0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 55.77 2b95 h ASN 46 Cb 1.27 0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 39.78 2b95 h ASN 46 CO 0.47 -0.41 -0.26 1.55 -0.00 0.00 0.00 177.43 178.78 2b95 h PRO 47 N -1.07 0.00 0.01 6.67 0.13 -1.99 -2.20 132.00 133.53 2b95 h PRO 47 Ca -0.09 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.84 2b95 h PRO 47 Cb 0.71 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 2b95 h PRO 47 CO 0.15 0.26 -0.93 1.15 -0.23 0.00 0.00 178.00 178.40 2b95 h THR 48 N 0.00 1.63 0.01 1.56 2.02 -1.92 -3.10 112.91 113.11 2b95 h THR 48 Ca -0.00 -3.08 -0.02 0.00 0.77 0.00 0.00 66.41 64.07 2b95 h THR 48 Cb 0.69 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.79 2b95 h THR 48 CO 0.03 0.88 -0.10 0.74 0.37 0.00 0.00 175.52 177.45 2b95 h THR 49 N 0.01 1.73 -0.71 3.16 2.02 -0.80 -2.84 112.91 115.48 2b95 h THR 49 Ca -0.02 -2.26 0.14 0.00 0.77 0.00 0.00 66.41 65.03 2b95 h THR 49 Cb 1.63 3.26 -0.05 0.00 -1.74 0.00 0.00 68.15 71.25 2b95 h THR 49 CO 0.13 0.60 0.48 0.74 0.37 0.00 0.00 175.52 177.83 2b95 h THR 50 N -0.87 0.82 0.11 3.16 2.02 -1.52 0.13 112.91 116.76 2b95 h THR 50 Ca -0.02 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2b95 h THR 50 Cb 1.03 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2b95 h THR 50 CO 0.02 0.07 -0.05 -0.61 0.37 0.00 0.00 175.52 175.32 2b95 h GLN 51 N 0.40 -0.14 -0.44 6.66 -0.00 -1.62 -3.23 115.11 116.73 2b95 h GLN 51 Ca 0.34 0.01 0.03 0.00 -0.00 0.00 0.00 58.65 59.04 2b95 h GLN 51 Cb 0.78 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.27 2b95 h GLN 51 CO -0.10 0.35 0.30 1.88 0.00 0.00 0.00 178.83 181.25 2b95 h TYR 52 N -0.81 0.46 0.15 3.99 0.05 -1.18 0.30 116.97 119.93 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 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.11 2b95 h TYR 52 CO 0.11 0.27 -0.35 0.00 -1.05 0.00 0.00 178.16 177.13 2b95 h ALA 53 N 1.75 -0.62 0.05 3.88 0.00 -0.79 0.25 119.26 123.77 2b95 h ALA 53 Ca 0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2b95 h ALA 53 Cb 0.13 0.56 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2b95 h ALA 53 CO -0.04 -0.91 -0.47 0.77 0.00 0.00 0.00 179.25 178.60 2b95 h SER 54 N -0.60 0.33 -0.67 0.00 0.02 -1.50 -1.67 113.55 109.46 2b95 h SER 54 Ca 0.02 -0.87 0.13 0.00 -0.84 0.00 0.00 61.79 60.23 2b95 h SER 54 Cb 0.61 -0.10 -0.10 0.00 0.14 0.00 0.00 62.40 62.95 2b95 h SER 54 CO -0.18 1.17 0.17 0.25 -1.14 0.00 0.00 176.83 177.10 2b95 h LEU 55 N -0.46 0.05 -0.02 5.07 7.12 -0.39 0.20 115.31 126.88 2b95 h LEU 55 Ca -0.07 0.12 -0.11 0.00 0.13 0.00 0.00 57.88 57.95 2b95 h LEU 55 Cb 1.29 0.16 0.01 0.00 -0.53 0.00 0.00 40.66 41.58 2b95 h LEU 55 CO 0.09 0.01 -0.43 0.24 -0.13 0.00 0.00 178.44 178.22 2b95 h MET 56 N 0.30 0.33 -0.18 1.25 2.86 -0.61 -1.55 114.93 117.33 2b95 h MET 56 Ca 0.36 -0.33 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 2b95 h MET 56 Cb 0.57 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 2b95 h MET 56 CO -0.44 1.00 -0.23 1.25 1.06 0.00 0.00 176.91 179.56 2b95 h HIS 57 N -0.22 -0.61 -0.24 -0.22 -0.00 -0.64 -1.33 115.15 111.90 2b95 h HIS 57 Ca -0.05 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.23 2b95 h HIS 57 Cb 1.14 0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 28.83 2b95 h HIS 57 CO 0.15 -0.31 -0.39 1.03 -0.00 0.00 0.00 177.93 178.41 2b95 h SER 58 N -0.26 0.57 0.03 3.26 0.87 -0.72 -3.14 113.55 114.16 2b95 h SER 58 Ca 0.12 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2b95 h SER 58 Cb 0.44 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 2b95 h SER 58 CO -0.34 0.91 -0.34 0.15 -0.53 0.00 0.00 176.83 176.68 2b95 h PHE 59 N 0.45 -0.95 -0.68 2.24 3.57 -0.43 -1.05 116.94 120.09 2b95 h PHE 59 Ca 0.04 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.67 2b95 h PHE 59 Cb 0.88 0.41 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 2b95 h PHE 59 CO 0.03 -0.44 0.31 0.82 -2.23 0.00 0.00 178.31 176.80 2b95 h ILE 60 N -0.52 0.80 -0.78 1.41 1.08 -1.29 -1.29 117.51 116.92 2b95 h ILE 60 Ca 0.05 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 2b95 h ILE 60 Cb 0.59 0.24 -0.06 0.00 -3.07 0.00 0.00 36.82 34.51 2b95 h ILE 60 CO -0.26 0.09 0.46 -0.07 -0.69 0.00 0.00 178.15 177.69 2b95 h LEU 61 N 0.52 0.70 0.12 1.44 4.07 -1.34 0.26 115.31 121.08 2b95 h LEU 61 Ca 0.34 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.34 2b95 h LEU 61 Cb 0.40 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 2b95 h LEU 61 CO -0.30 0.44 -0.18 0.50 -1.08 0.00 0.00 178.44 177.82 2b95 h LYS 62 N 0.83 -0.35 0.00 1.13 1.63 -0.04 -1.85 116.57 117.93 2b95 h LYS 62 Ca 0.35 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.13 2b95 h LYS 62 Cb 0.20 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2b95 h LYS 62 CO -0.19 -0.23 -0.21 0.00 -3.45 0.00 0.00 179.45 175.37 2b95 h ALA 63 N 0.45 1.13 -0.49 5.00 0.00 -1.08 -2.79 119.26 121.47 2b95 h ALA 63 Ca 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2b95 h ALA 63 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2b95 h ALA 63 CO -0.09 0.26 0.17 -0.09 0.00 0.00 0.00 179.25 179.50 2b95 h ARG 64 N 0.00 0.72 0.16 0.00 2.43 0.34 0.26 114.38 118.29 2b95 h ARG 64 Ca -0.00 -0.12 -0.30 0.00 -0.81 0.00 0.00 59.98 58.75 2b95 h ARG 64 Cb 0.60 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2b95 h ARG 64 CO 0.03 0.62 -1.30 1.03 -1.51 0.00 0.00 179.97 178.84 2b95 h SER 65 N 0.71 0.70 -0.22 -3.80 0.87 -1.20 -3.21 113.55 107.40 2b95 h SER 65 Ca 0.17 -0.71 -0.09 0.00 -1.23 0.00 0.00 61.79 59.93 2b95 h SER 65 Cb 0.19 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2b95 h SER 65 CO -0.01 1.54 -0.22 0.74 -0.53 0.00 0.00 176.83 178.34 2b95 h THR 66 N 0.17 1.32 0.18 2.23 2.02 -1.33 -2.58 112.91 114.92 2b95 h THR 66 Ca -0.19 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2b95 h THR 66 Cb 1.99 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 70.10 2b95 h THR 66 CO 0.24 0.43 -0.33 0.58 0.37 0.00 0.00 175.52 176.80 2b95 h VAL 67 N 0.24 0.00 -0.00 3.16 2.07 -0.61 -0.60 116.25 120.50 2b95 h VAL 67 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2b95 h VAL 67 Cb 0.78 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2b95 h VAL 67 CO 0.06 0.00 0.10 0.08 0.02 0.00 0.00 177.57 177.82 2b95 h ARG 68 N -0.55 0.00 0.00 1.57 -0.00 -1.65 0.91 114.38 114.65 2b95 h ARG 68 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.91 2b95 h ARG 68 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.48 2b95 h ARG 68 CO -0.12 0.00 -0.24 -0.44 -0.00 0.00 0.00 179.97 179.16 2b95 h ASP 69 N 0.00 0.00 -0.15 0.08 3.32 -0.69 -3.11 116.42 115.88 2b95 h ASP 69 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2b95 h ASP 69 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2b95 h ASP 69 CO -0.00 0.24 -0.06 0.40 -1.72 0.00 0.00 179.24 178.10 2b95 h ILE 70 N 0.00 1.31 -3.70 0.35 2.04 -0.45 -3.47 117.51 113.59 2b95 h ILE 70 Ca -0.00 -1.07 -0.08 0.00 1.00 0.00 0.00 64.86 64.71 2b95 h ILE 70 Cb 0.68 1.71 -0.13 0.00 -0.74 0.00 0.00 36.82 38.33 2b95 h ILE 70 CO 0.03 0.31 -0.28 -1.81 0.00 0.00 0.00 178.15 176.40 2b95 s ASP 71 N -5.93 0.02 0.01 1.72 1.01 -1.17 -5.03 116.67 107.29 2b95 s ASP 71 Ca -0.14 -0.59 0.15 0.00 0.71 0.00 0.00 52.55 52.67 2b95 s ASP 71 Cb 0.05 0.39 0.62 0.00 1.01 0.00 0.00 42.92 44.99 2b95 s ASP 71 CO 0.73 -0.79 1.46 -0.81 0.21 0.00 0.00 175.17 175.98 2b95 n PRO 72 N -0.13 0.01 -3.75 8.23 -0.04 -1.26 -4.49 135.00 133.57 2b95 n PRO 72 Ca -0.14 0.26 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 2b95 n PRO 72 Cb 0.63 -1.52 -0.17 0.00 -0.04 0.00 0.00 33.50 32.40 2b95 n PRO 72 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2b95 s GLN 73 N -3.02 0.61 -0.26 0.54 -0.21 -1.26 -5.12 119.66 110.95 2b95 s GLN 73 Ca 0.07 -0.15 -0.38 0.00 0.02 0.00 0.00 55.36 54.92 2b95 s GLN 73 Cb 0.09 -1.55 0.15 0.00 1.00 0.00 0.00 33.01 32.71 2b95 s GLN 73 CO 0.26 -0.47 1.33 1.21 -2.12 0.00 0.00 175.29 175.50 2b95 s ASN 74 N 1.93 -0.05 0.24 5.90 3.04 -1.26 -5.08 114.94 119.66 2b95 s ASN 74 Ca 0.02 -0.00 -0.07 0.00 0.04 0.00 0.00 52.86 52.85 2b95 s ASN 74 Cb -0.15 0.05 -0.02 0.00 -1.54 0.00 0.00 41.25 39.60 2b95 s ASN 74 CO -0.07 -0.09 0.34 -0.62 -3.04 0.00 0.00 177.10 173.63 2b95 s ASP 75 N -2.07 0.15 -0.13 -4.21 2.15 -1.26 -4.89 116.67 106.42 2b95 s ASP 75 Ca 0.11 -1.18 0.01 0.00 0.43 0.00 0.00 52.55 51.92 2b95 s ASP 75 Cb -0.01 0.52 -0.01 0.00 -0.30 0.00 0.00 42.92 43.12 2b95 s ASP 75 CO -0.03 -1.04 -0.18 -0.76 -0.17 0.00 0.00 175.17 172.99 2b95 s LEU 76 N -3.10 2.43 0.00 -1.34 2.01 -1.26 -4.97 118.68 112.44 2b95 s LEU 76 Ca 0.30 -0.45 0.00 0.00 0.01 0.00 0.00 54.13 53.99 2b95 s LEU 76 Cb 0.02 -1.53 0.00 0.00 0.01 0.00 0.00 46.19 44.70 2b95 s LEU 76 CO 0.12 0.14 0.00 1.07 1.01 0.00 0.00 176.35 178.69 2b95 n THR 77 N 3.66 0.00 -3.93 5.49 5.66 -1.26 -4.58 114.28 119.32 2b95 n THR 77 Ca -0.19 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.71 2b95 n THR 77 Cb 0.53 -0.80 -0.10 0.00 -1.55 0.00 0.00 70.33 68.40 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 -1.90 0.18 -0.29 1.09 5.36 -1.26 -4.55 117.98 116.61 2b95 s PHE 78 Ca 0.00 -0.39 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 2b95 s PHE 78 Cb 0.00 -0.14 0.19 0.00 -0.34 0.00 0.00 43.02 42.74 2b95 s PHE 78 CO 0.00 -0.26 0.57 -1.17 -1.46 0.00 0.00 175.22 172.90 2b95 s LEU 79 N -1.58 -1.46 0.15 6.12 2.96 -0.03 -4.94 118.68 119.89 2b95 s LEU 79 Ca -0.13 0.38 0.09 0.00 -0.22 0.00 0.00 54.13 54.24 2b95 s LEU 79 Cb -0.07 1.99 -0.04 0.00 0.50 0.00 0.00 46.19 48.56 2b95 s LEU 79 CO -0.01 -0.29 -0.19 0.00 -1.32 0.00 0.00 176.35 174.54 2b95 s ARG 80 N 2.81 1.26 -0.24 1.98 1.70 -1.26 -0.84 118.95 124.36 2b95 s ARG 80 Ca 0.14 -1.36 -0.04 0.00 -0.47 0.00 0.00 55.73 54.00 2b95 s ARG 80 Cb -0.12 -1.39 0.09 0.00 -0.57 0.00 0.00 34.95 32.95 2b95 s ARG 80 CO -0.24 0.29 0.13 0.42 -1.08 0.00 0.00 175.30 174.82 2b95 s ILE 81 N -1.79 -0.11 -0.14 4.99 1.09 -1.25 -5.03 121.20 118.95 2b95 s ILE 81 Ca 0.14 -0.46 -0.29 0.00 -1.10 0.00 0.00 60.65 58.93 2b95 s ILE 81 Cb -0.07 -0.79 -0.04 0.00 -1.06 0.00 0.00 42.46 40.50 2b95 s ILE 81 CO 0.06 -0.50 1.57 -0.60 -0.10 0.00 0.00 174.94 175.37 2b95 s ARG 82 N 2.14 4.03 0.18 2.79 6.06 -1.26 -3.97 118.95 128.92 2b95 s ARG 82 Ca 0.06 1.88 0.11 0.00 -2.50 0.00 0.00 55.73 55.28 2b95 s ARG 82 Cb -0.16 -3.97 -0.04 0.00 0.06 0.00 0.00 34.95 30.84 2b95 s ARG 82 CO -0.24 -1.01 -0.24 -1.54 -2.50 0.00 0.00 175.30 169.78 2b95 s SER 83 N 3.46 3.31 0.54 -2.12 1.04 -1.22 -5.01 113.70 113.70 2b95 s SER 83 Ca 0.69 -0.84 0.29 0.00 0.48 0.00 0.00 55.95 56.57 2b95 s SER 83 Cb -0.28 -0.24 1.45 0.00 0.10 0.00 0.00 66.02 67.06 2b95 s SER 83 CO 0.27 0.11 1.93 0.11 0.98 0.00 0.00 173.24 176.64 2b95 h LYS 84 N 3.35 0.00 0.12 4.02 1.57 -2.04 -2.12 116.57 121.46 2b95 h LYS 84 Ca -0.47 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 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 0.46 0.00 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.07 2b95 h LYS 85 N 0.00 -0.15 -1.07 3.15 3.11 -1.99 -3.50 116.57 116.12 2b95 h LYS 85 Ca 0.33 0.01 0.34 0.00 -2.81 0.00 0.00 60.65 58.53 2b95 h LYS 85 Cb 1.38 0.04 -0.19 0.00 -1.00 0.00 0.00 32.23 32.46 2b95 h LYS 85 CO -0.00 0.19 0.97 0.54 -2.81 0.00 0.00 179.45 178.34 2b95 s ASN 86 N -5.54 -0.02 0.37 4.20 4.22 -0.80 -4.79 114.94 112.59 2b95 s ASN 86 Ca -0.09 -0.01 -0.17 0.00 -2.14 0.00 0.00 52.86 50.45 2b95 s ASN 86 Cb -0.00 0.02 -0.10 0.00 1.28 0.00 0.00 41.25 42.45 2b95 s ASN 86 CO 0.32 -0.04 0.82 -1.83 -2.04 0.00 0.00 177.10 174.33 2b95 s GLU 87 N -2.06 4.08 -0.30 3.55 4.04 -0.55 -3.43 118.70 124.04 2b95 s GLU 87 Ca 0.13 0.84 -0.03 0.00 0.04 0.00 0.00 54.97 55.94 2b95 s GLU 87 Cb 0.01 -2.33 0.10 0.00 0.02 0.00 0.00 34.13 31.94 2b95 s GLU 87 CO -0.04 0.07 0.13 0.42 -1.84 0.00 0.00 175.26 174.01 2b95 s ILE 88 N -2.08 0.06 -0.04 1.83 1.01 -1.25 -1.99 121.20 118.73 2b95 s ILE 88 Ca 0.57 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 2b95 s ILE 88 Cb -0.10 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 2b95 s ILE 88 CO 0.16 -0.74 1.11 -0.04 0.00 0.00 0.00 174.94 175.44 2b95 s MET 89 N 1.98 4.42 -0.10 2.79 -1.94 0.69 -3.85 119.30 123.28 2b95 s MET 89 Ca 0.10 1.56 -0.08 0.00 -1.71 0.00 0.00 55.69 55.56 2b95 s MET 89 Cb -0.17 -3.51 0.03 0.00 2.01 0.00 0.00 34.83 33.20 2b95 s MET 89 CO -0.34 -0.32 0.26 0.08 -0.01 0.00 0.00 175.02 174.70 2b95 s VAL 90 N 1.80 -0.01 0.12 -6.03 1.01 -0.02 -0.74 120.40 116.53 2b95 s VAL 90 Ca 0.53 0.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 2b95 s VAL 90 Cb -0.23 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 35.83 2b95 s VAL 90 CO 0.23 0.02 0.52 0.00 0.00 0.00 0.00 175.10 175.86 2b95 s ALA 91 N 0.43 -1.32 0.05 5.51 0.00 -1.23 -0.85 121.76 124.35 2b95 s ALA 91 Ca -0.02 0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.97 2b95 s ALA 91 Cb -0.04 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.73 2b95 s ALA 91 CO -0.02 -0.67 1.41 -1.25 0.00 0.00 0.00 175.76 175.23 2b95 s PRO 92 N -3.49 4.29 0.00 0.00 0.04 -1.26 -3.50 135.00 131.09 2b95 s PRO 92 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2b95 s PRO 92 Cb 0.00 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2b95 s PRO 92 CO -0.10 -0.53 0.00 -3.47 0.04 0.00 0.00 177.00 172.94 2b95 n ASP 93 N 4.85 0.70 -0.09 6.66 -0.08 -0.22 -4.91 116.55 123.47 2b95 n ASP 93 Ca 0.13 -0.85 -0.07 0.00 -1.51 0.00 0.00 54.79 52.49 2b95 n ASP 93 Cb 0.43 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.89 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 6.56 -2.02 -3.37 116.57 116.89 2b95 h LYS 94 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2b95 h LYS 94 Cb 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 2b95 h LYS 94 CO 0.00 -0.12 -0.16 -0.40 -2.06 0.00 0.00 179.45 176.71 2b95 n ASP 95 N -5.38 0.00 -3.79 0.86 5.68 -1.26 -5.13 116.55 107.53 2b95 n ASP 95 Ca 0.01 -1.32 -0.13 0.00 -0.50 0.00 0.00 54.79 52.84 2b95 n ASP 95 Cb 0.29 -0.06 -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 1.08 -0.27 2.11 1.13 -1.26 -2.00 117.35 118.14 2b95 s TYR 96 Ca 0.00 -1.28 0.03 0.00 -1.41 0.00 0.00 57.07 54.41 2b95 s TYR 96 Cb 0.00 -0.33 0.06 0.00 -1.10 0.00 0.00 41.96 40.60 2b95 s TYR 96 CO 0.00 -0.87 -0.09 -0.06 -2.51 0.00 0.00 175.55 172.03 2b95 s PHE 97 N -3.75 3.33 0.31 -3.49 0.08 0.94 -1.06 117.98 114.34 2b95 s PHE 97 Ca 0.34 -2.40 -0.28 0.00 0.12 0.00 0.00 56.93 54.71 2b95 s PHE 97 Cb 0.03 -2.06 -0.09 0.00 -0.57 0.00 0.00 43.02 40.32 2b95 s PHE 97 CO 0.16 -0.89 1.03 -1.17 -0.10 0.00 0.00 175.22 174.26 2b95 s LEU 98 N 1.08 4.43 -0.05 -0.37 0.20 -1.23 -2.81 118.68 119.93 2b95 s LEU 98 Ca -0.06 2.08 -0.00 0.00 0.69 0.00 0.00 54.13 56.84 2b95 s LEU 98 Cb -0.20 -3.83 0.03 0.00 -0.43 0.00 0.00 46.19 41.76 2b95 s LEU 98 CO -0.05 -0.16 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.20 2b95 s ILE 99 N -1.36 0.36 -0.19 6.68 1.09 -0.30 -3.51 121.20 123.98 2b95 s ILE 99 Ca 0.48 0.04 -0.00 0.00 -1.10 0.00 0.00 60.65 60.07 2b95 s ILE 99 Cb -0.26 -0.46 0.05 0.00 -1.06 0.00 0.00 42.46 40.73 2b95 s ILE 99 CO 0.33 0.21 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.65 2b95 s VAL 100 N 1.36 1.22 -0.09 2.92 1.01 0.08 -1.79 120.40 125.12 2b95 s VAL 100 Ca -0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2b95 s VAL 100 Cb -0.13 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2b95 s VAL 100 CO -0.02 0.02 -0.04 -0.63 0.00 0.00 0.00 175.10 174.43 2b95 s ILE 101 N 1.56 3.97 0.13 2.22 1.01 -1.03 -0.22 121.20 128.83 2b95 s ILE 101 Ca -0.02 -0.37 -0.25 0.00 0.00 0.00 0.00 60.65 60.01 2b95 s ILE 101 Cb -0.17 -2.66 0.08 0.00 0.01 0.00 0.00 42.46 39.73 2b95 s ILE 101 CO -0.07 0.59 1.05 0.00 0.00 0.00 0.00 174.94 176.50 2b95 s GLN 102 N -0.67 1.07 0.96 2.79 -2.07 -0.84 -0.13 119.66 120.77 2b95 s GLN 102 Ca 0.10 -0.63 -0.13 0.00 -1.82 0.00 0.00 55.36 52.88 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 0.02 -0.49 0.34 0.09 -1.32 0.00 0.00 175.29 173.92 2b95 n ASN 103 N -0.72 -2.23 -4.77 12.60 3.02 -1.07 -1.48 115.26 120.61 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 -1.18 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 -3.57 3.35 -0.13 3.52 0.04 -1.26 -4.32 135.00 132.62 2b95 s PRO 104 Ca 0.56 1.61 0.06 0.00 0.04 0.00 0.00 61.00 63.28 2b95 s PRO 104 Cb -0.20 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.21 2b95 s PRO 104 CO 0.68 -0.85 -0.04 0.25 0.04 0.00 0.00 177.00 177.07 2b95 n THR 105 N -1.31 0.84 0.00 1.26 -2.24 -1.26 -5.02 114.28 106.55 2b95 n THR 105 Ca 0.12 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2b95 n THR 105 Cb 0.51 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71