#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 1.58 -0.26 3.04 0.00 -2.05 -1.37 119.26 120.20 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 -0.00 -0.15 0.93 0.00 0.00 0.00 179.25 180.03 2b95 h GLU 13 N 0.79 -0.13 -0.45 0.00 5.08 -2.06 0.15 114.58 117.96 2b95 h GLU 13 Ca 0.55 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.86 2b95 h GLU 13 Cb 0.78 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2b95 h GLU 13 CO -0.36 -0.08 0.04 0.28 -1.00 0.00 0.00 179.01 177.89 2b95 h VAL 14 N -0.13 1.22 -0.47 3.13 2.07 -1.73 -2.58 116.25 117.77 2b95 h VAL 14 Ca 0.14 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 2b95 h VAL 14 Cb 0.34 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2b95 h VAL 14 CO -0.34 0.31 -0.04 -0.33 0.02 0.00 0.00 177.57 177.19 2b95 h GLU 15 N 0.68 0.81 -0.35 1.57 5.08 -0.38 0.11 114.58 122.09 2b95 h GLU 15 Ca 0.14 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2b95 h GLU 15 Cb 0.35 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2b95 h GLU 15 CO 0.01 0.84 -0.14 1.49 -1.00 0.00 0.00 179.01 180.21 2b95 h GLU 16 N 0.74 0.62 0.04 2.33 4.22 -0.38 -1.85 114.58 120.31 2b95 h GLU 16 Ca 0.14 -0.20 -0.24 0.00 0.08 0.00 0.00 59.36 59.14 2b95 h GLU 16 Cb 0.51 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2b95 h GLU 16 CO 0.03 0.74 -1.16 1.15 -2.18 0.00 0.00 179.01 177.59 2b95 h THR 17 N 0.57 1.56 -0.34 0.32 2.02 -1.17 -3.28 112.91 112.58 2b95 h THR 17 Ca 0.10 -3.23 -0.12 0.00 0.77 0.00 0.00 66.41 63.93 2b95 h THR 17 Cb 0.56 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.80 2b95 h THR 17 CO 0.04 0.91 -0.27 -0.07 0.37 0.00 0.00 175.52 176.50 2b95 h LEU 18 N 0.03 0.70 0.10 2.58 4.07 -0.60 -1.71 115.31 120.48 2b95 h LEU 18 Ca -0.08 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.61 2b95 h LEU 18 Cb 1.86 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.41 2b95 h LEU 18 CO 0.15 0.94 -0.05 0.11 -1.08 0.00 0.00 178.44 178.51 2b95 h LYS 19 N 0.59 -0.13 -0.36 1.13 1.79 -1.42 0.18 116.57 118.35 2b95 h LYS 19 Ca 0.08 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.48 2b95 h LYS 19 Cb 0.76 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 2b95 h LYS 19 CO 0.06 -0.09 -0.11 -0.09 -1.08 0.00 0.00 179.45 178.14 2b95 h ARG 20 N -0.14 0.63 0.29 3.15 9.65 -1.61 -0.80 114.38 125.56 2b95 h ARG 20 Ca -0.01 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 2b95 h ARG 20 Cb 0.11 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2b95 h ARG 20 CO 0.02 0.73 -0.14 -0.07 2.80 0.00 0.00 179.97 183.31 2b95 h LEU 21 N 0.58 -0.33 -1.75 3.80 4.07 -0.99 -1.70 115.31 118.98 2b95 h LEU 21 Ca 0.10 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2b95 h LEU 21 Cb 0.53 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2b95 h LEU 21 CO 0.03 0.01 0.00 -0.61 -1.08 0.00 0.00 178.44 176.79 2b95 h GLN 22 N -0.71 0.00 0.00 1.13 4.15 -0.62 -1.86 115.11 117.19 2b95 h GLN 22 Ca -0.04 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 2b95 h GLN 22 Cb 0.49 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 2b95 h GLN 22 CO 0.07 0.00 -0.68 1.03 -1.93 0.00 0.00 178.83 177.32 2b95 h SER 23 N 0.00 0.00 -2.97 -0.69 0.87 -0.93 -3.46 113.55 106.38 2b95 h SER 23 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 2b95 h SER 23 Cb 0.30 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 2b95 h SER 23 CO 0.00 0.38 -0.35 0.00 -0.53 0.00 0.00 176.83 176.32 2b95 s GLN 24 N -3.04 3.54 0.11 2.24 -2.07 -0.66 -5.07 119.66 114.72 2b95 s GLN 24 Ca 0.02 -0.27 -0.30 0.00 -1.82 0.00 0.00 55.36 52.99 2b95 s GLN 24 Cb 0.08 -2.88 -0.06 0.00 -1.09 0.00 0.00 33.01 29.06 2b95 s GLN 24 CO 0.75 0.46 1.00 0.21 -1.32 0.00 0.00 175.29 176.40 2b95 s LYS 25 N -2.95 4.65 0.00 9.60 2.20 -1.26 -3.92 119.74 128.06 2b95 s LYS 25 Ca 0.39 1.52 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 2b95 s LYS 25 Cb -0.12 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2b95 s LYS 25 CO 0.27 0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.81 2b95 n GLY 26 N 2.31 3.06 3.71 5.54 0.00 -1.26 -5.00 105.19 113.55 2b95 n GLY 26 Ca 0.03 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.12 3.04 -0.15 1.61 1.01 -1.25 -1.43 120.40 123.10 2b95 s VAL 27 Ca 0.00 0.66 0.17 0.00 0.00 0.00 0.00 61.98 62.82 2b95 s VAL 27 Cb 0.00 -3.43 -0.25 0.00 0.00 0.00 0.00 36.38 32.71 2b95 s VAL 27 CO 0.00 0.03 0.25 0.00 0.00 0.00 0.00 175.10 175.39 2b95 n GLN 28 N 4.56 0.67 0.00 2.72 6.02 0.83 -4.93 117.38 127.26 2b95 n GLN 28 Ca 0.14 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2b95 n GLN 28 Cb 0.41 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 1.66 2.86 3.11 1.08 0.00 -1.16 -4.76 105.19 107.98 2b95 n GLY 29 Ca -0.27 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.83 1.84 0.01 -0.61 1.09 -1.26 -1.80 121.20 118.64 2b95 s ILE 30 Ca 0.00 -0.84 0.04 0.00 -1.10 0.00 0.00 60.65 58.75 2b95 s ILE 30 Cb 0.00 -1.66 -0.03 0.00 -1.06 0.00 0.00 42.46 39.71 2b95 s ILE 30 CO 0.00 0.51 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.63 2b95 s ILE 31 N 1.03 3.48 -0.09 2.92 1.01 -0.51 -2.81 121.20 126.24 2b95 s ILE 31 Ca -0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 2b95 s ILE 31 Cb -0.15 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.85 2b95 s ILE 31 CO -0.05 0.40 -0.02 -0.69 0.00 0.00 0.00 174.94 174.58 2b95 s VAL 32 N -0.97 0.61 -0.03 2.92 1.01 0.91 -1.06 120.40 123.79 2b95 s VAL 32 Ca 0.16 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2b95 s VAL 32 Cb -0.11 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2b95 s VAL 32 CO 0.07 0.28 -0.16 -0.69 0.00 0.00 0.00 175.10 174.60 2b95 s VAL 33 N 1.87 2.96 0.42 2.92 1.01 -1.08 -0.67 120.40 127.83 2b95 s VAL 33 Ca 0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2b95 s VAL 33 Cb -0.13 -2.17 0.09 0.00 0.00 0.00 0.00 36.38 34.18 2b95 s VAL 33 CO -0.06 0.54 0.58 -0.46 0.00 0.00 0.00 175.10 175.70 2b95 n ASN 34 N 2.17 0.40 0.26 3.32 0.23 -0.79 -0.01 115.26 120.85 2b95 n ASN 34 Ca -0.17 -1.43 0.14 0.00 -0.53 0.00 0.00 54.58 52.60 2b95 n ASN 34 Cb 0.52 -0.41 0.68 0.00 -2.08 0.00 0.00 39.78 38.49 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 -0.89 0.32 0.00 5.53 1.35 -1.60 -2.33 112.91 115.28 2b95 h THR 35 Ca -0.19 -0.65 -0.08 0.00 -0.55 0.00 0.00 66.41 64.94 2b95 h THR 35 Cb 0.61 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 2b95 h THR 35 CO 0.17 0.10 -0.37 -0.33 -0.25 0.00 0.00 175.52 174.84 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 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2b95 h GLU 36 CO 0.01 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.80 2b95 n GLY 37 N 0.89 0.61 3.74 -3.84 0.00 -0.88 -5.08 105.19 100.63 2b95 n GLY 37 Ca 0.02 0.00 -0.39 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 4.93 -0.93 -0.61 1.01 -1.26 -4.75 121.20 117.59 2b95 s ILE 38 Ca 0.00 1.41 -0.24 0.00 0.00 0.00 0.00 60.65 61.81 2b95 s ILE 38 Cb 0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 2b95 s ILE 38 CO 0.00 0.34 1.95 -2.16 0.00 0.00 0.00 174.94 175.06 2b95 s PRO 39 N 0.26 2.55 0.43 2.79 0.04 -1.26 -1.88 135.00 137.92 2b95 s PRO 39 Ca 0.35 -0.37 0.21 0.00 0.04 0.00 0.00 61.00 61.23 2b95 s PRO 39 Cb -0.18 -5.08 1.17 0.00 0.04 0.00 0.00 34.50 30.45 2b95 s PRO 39 CO 0.19 -3.43 1.81 -0.84 0.04 0.00 0.00 177.00 174.76 2b95 h ILE 40 N 7.16 0.56 -2.36 0.56 3.07 -1.24 -3.42 117.51 121.84 2b95 h ILE 40 Ca 0.11 -0.11 -0.08 0.00 1.55 0.00 0.00 64.86 66.33 2b95 h ILE 40 Cb 1.00 0.21 -0.20 0.00 -0.27 0.00 0.00 36.82 37.56 2b95 h ILE 40 CO 1.21 0.06 0.01 -0.54 -1.05 0.00 0.00 178.15 177.84 2b95 s LYS 41 N -5.37 0.86 -0.14 0.16 1.02 -1.12 -5.03 119.74 110.10 2b95 s LYS 41 Ca -0.08 0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.90 2b95 s LYS 41 Cb 0.24 0.40 0.12 0.00 -0.52 0.00 0.00 37.83 38.07 2b95 s LYS 41 CO 0.79 -0.23 0.94 0.45 -0.92 0.00 0.00 175.35 176.39 2b95 s SER 42 N -0.83 -0.42 -0.00 2.83 0.15 -1.26 -0.06 113.70 114.10 2b95 s SER 42 Ca -0.09 0.47 0.02 0.00 0.70 0.00 0.00 55.95 57.06 2b95 s SER 42 Cb -0.02 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2b95 s SER 42 CO 0.06 -0.39 0.07 0.35 1.20 0.00 0.00 173.24 174.53 2b95 n THR 43 N 0.80 0.00 -0.41 6.45 -2.24 -1.12 -5.01 114.28 112.75 2b95 n THR 43 Ca -0.12 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 2b95 n THR 43 Cb 0.58 0.73 0.13 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.30 -2.75 -1.14 -0.78 2.81 -1.26 -4.92 117.12 107.76 2b95 n MET 44 Ca 0.00 -0.75 -0.30 0.00 -1.81 0.00 0.00 57.70 54.84 2b95 n MET 44 Cb 0.04 -0.84 0.14 0.00 -0.71 0.00 0.00 33.22 31.86 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 -2.69 3.43 0.06 7.83 -1.08 -1.26 -4.77 116.67 118.19 2b95 s ASP 45 Ca 0.32 1.57 -0.34 0.00 -0.52 0.00 0.00 52.55 53.58 2b95 s ASP 45 Cb -0.04 -2.24 -0.19 0.00 -1.46 0.00 0.00 42.92 38.98 2b95 s ASP 45 CO 0.26 -2.68 1.56 -1.13 0.52 0.00 0.00 175.17 173.70 2b95 h ASN 46 N -1.58 -0.91 0.69 -0.34 -0.00 -1.99 0.22 115.58 111.67 2b95 h ASN 46 Ca -0.49 0.03 -0.06 0.00 -0.00 0.00 0.00 56.30 55.78 2b95 h ASN 46 Cb 1.28 0.24 -0.01 0.00 -0.00 0.00 0.00 38.32 39.83 2b95 h ASN 46 CO 0.53 -0.64 -0.28 1.55 -0.00 0.00 0.00 177.43 178.59 2b95 h PRO 47 N -1.11 0.00 0.02 6.67 0.13 -2.00 -2.17 132.00 133.55 2b95 h PRO 47 Ca -0.11 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.81 2b95 h PRO 47 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2b95 h PRO 47 CO 0.18 0.28 -0.98 1.15 -0.23 0.00 0.00 178.00 178.41 2b95 h THR 48 N 0.00 1.63 0.00 1.56 2.02 -1.90 -3.05 112.91 113.17 2b95 h THR 48 Ca -0.00 -3.13 -0.00 0.00 0.77 0.00 0.00 66.41 64.05 2b95 h THR 48 Cb 0.70 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 2b95 h THR 48 CO 0.04 0.90 -0.00 0.74 0.37 0.00 0.00 175.52 177.56 2b95 h THR 49 N 0.02 1.64 -0.96 3.16 2.02 -0.37 -2.23 112.91 116.20 2b95 h THR 49 Ca -0.03 -2.06 0.12 0.00 0.77 0.00 0.00 66.41 65.21 2b95 h THR 49 Cb 1.69 3.01 -0.08 0.00 -1.74 0.00 0.00 68.15 71.03 2b95 h THR 49 CO 0.14 0.52 0.61 0.74 0.37 0.00 0.00 175.52 177.90 2b95 h THR 50 N -0.91 0.91 -0.03 3.16 2.02 -1.52 0.22 112.91 116.77 2b95 h THR 50 Ca -0.00 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 2b95 h THR 50 Cb 0.86 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2b95 h THR 50 CO 0.00 0.17 -0.12 -0.61 0.37 0.00 0.00 175.52 175.33 2b95 h GLN 51 N 0.92 0.13 -0.41 6.66 -0.00 -1.63 -3.22 115.11 117.56 2b95 h GLN 51 Ca 0.47 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 2b95 h GLN 51 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.00 2b95 h GLN 51 CO -0.24 0.75 0.27 1.88 0.00 0.00 0.00 178.83 181.49 2b95 h TYR 52 N -0.46 0.51 0.10 3.99 -1.99 -0.86 0.29 116.97 118.55 2b95 h TYR 52 Ca -0.01 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.76 2b95 h TYR 52 Cb 0.76 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 39.28 2b95 h TYR 52 CO 0.14 0.32 -0.32 0.00 -0.00 0.00 0.00 178.16 178.31 2b95 h ALA 53 N 1.75 -0.53 0.04 3.88 0.00 -0.58 0.25 119.26 124.07 2b95 h ALA 53 Ca 0.15 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2b95 h ALA 53 Cb -0.06 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2b95 h ALA 53 CO -0.03 -0.86 -0.43 0.77 0.00 0.00 0.00 179.25 178.70 2b95 h SER 54 N -0.53 0.30 -0.01 0.00 0.02 -1.53 -2.55 113.55 109.25 2b95 h SER 54 Ca 0.03 -0.87 0.03 0.00 -0.84 0.00 0.00 61.79 60.14 2b95 h SER 54 Cb 0.57 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 2b95 h SER 54 CO -0.20 1.14 -0.42 0.25 -1.14 0.00 0.00 176.83 176.47 2b95 h LEU 55 N -0.50 -1.28 0.03 5.07 7.12 -0.41 0.28 115.31 125.61 2b95 h LEU 55 Ca -0.07 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 2b95 h LEU 55 Cb 1.25 0.50 0.00 0.00 -0.53 0.00 0.00 40.66 41.88 2b95 h LEU 55 CO 0.08 -0.46 -0.01 0.24 -0.13 0.00 0.00 178.44 178.16 2b95 h MET 56 N -0.57 -0.03 -0.90 1.25 2.86 -0.64 -0.91 114.93 115.98 2b95 h MET 56 Ca 0.05 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.86 2b95 h MET 56 Cb 0.65 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.25 2b95 h MET 56 CO -0.32 0.01 0.58 1.25 1.06 0.00 0.00 176.91 179.50 2b95 h HIS 57 N -0.07 0.74 0.00 -0.22 -0.00 -1.09 0.25 115.15 114.75 2b95 h HIS 57 Ca -0.00 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.29 2b95 h HIS 57 Cb 0.06 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.23 2b95 h HIS 57 CO -0.07 0.23 -0.48 1.03 -0.00 0.00 0.00 177.93 178.65 2b95 h SER 58 N 0.59 0.00 0.71 3.26 0.87 0.03 -2.99 113.55 116.01 2b95 h SER 58 Ca 0.47 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 61.00 2b95 h SER 58 Cb 0.91 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2b95 h SER 58 CO -0.21 0.48 -0.34 0.15 -0.53 0.00 0.00 176.83 176.37 2b95 h PHE 59 N 0.00 -0.89 0.00 2.24 3.57 0.89 0.25 116.94 123.01 2b95 h PHE 59 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2b95 h PHE 59 Cb 1.22 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 2b95 h PHE 59 CO 0.00 -0.55 -0.21 0.82 -2.23 0.00 0.00 178.31 176.14 2b95 h ILE 60 N -0.95 0.70 -0.08 1.41 2.04 -1.61 -0.71 117.51 118.31 2b95 h ILE 60 Ca -0.10 -0.91 -0.23 0.00 1.00 0.00 0.00 64.86 64.62 2b95 h ILE 60 Cb 0.73 1.57 0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2b95 h ILE 60 CO 0.16 0.21 -0.87 0.25 0.00 0.00 0.00 178.15 177.90 2b95 h LEU 61 N 0.00 0.79 0.04 1.44 5.85 -1.32 -2.16 115.31 119.96 2b95 h LEU 61 Ca -0.00 -0.57 -0.00 0.00 0.84 0.00 0.00 57.88 58.15 2b95 h LEU 61 Cb 0.56 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.35 2b95 h LEU 61 CO 0.03 1.36 -0.02 0.50 -0.34 0.00 0.00 178.44 179.96 2b95 h LYS 62 N 0.41 -0.06 -0.50 1.25 1.63 -0.24 -3.23 116.57 115.83 2b95 h LYS 62 Ca -0.07 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.80 2b95 h LYS 62 Cb 1.49 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.11 2b95 h LYS 62 CO 0.17 0.56 0.34 0.00 -3.45 0.00 0.00 179.45 177.07 2b95 h ALA 63 N -0.21 1.98 0.61 5.00 0.00 -1.26 -2.63 119.26 122.75 2b95 h ALA 63 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2b95 h ALA 63 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2b95 h ALA 63 CO 0.01 -0.08 -0.38 -0.09 0.00 0.00 0.00 179.25 178.71 2b95 h ARG 64 N 0.38 -0.90 -0.33 0.00 2.43 -1.46 0.26 114.38 114.76 2b95 h ARG 64 Ca 0.22 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.55 2b95 h ARG 64 Cb 0.40 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2b95 h ARG 64 CO -0.06 -0.60 0.32 1.03 -1.51 0.00 0.00 179.97 179.16 2b95 h SER 65 N -0.93 0.00 0.15 -3.80 0.87 -1.49 -1.19 113.55 107.16 2b95 h SER 65 Ca -0.07 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.28 2b95 h SER 65 Cb 0.76 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.74 2b95 h SER 65 CO 0.07 0.00 -0.93 0.74 -0.53 0.00 0.00 176.83 176.19 2b95 h THR 66 N 0.00 1.45 -0.76 2.23 2.02 -1.13 -3.31 112.91 113.41 2b95 h THR 66 Ca 0.16 -2.54 0.15 0.00 0.77 0.00 0.00 66.41 64.94 2b95 h THR 66 Cb 0.79 3.15 -0.05 0.00 -1.74 0.00 0.00 68.15 70.30 2b95 h THR 66 CO -0.00 0.72 0.51 0.58 0.37 0.00 0.00 175.52 177.70 2b95 h VAL 67 N -0.32 0.79 -0.19 3.16 2.07 0.73 0.15 116.25 122.64 2b95 h VAL 67 Ca -0.17 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2b95 h VAL 67 Cb 1.70 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2b95 h VAL 67 CO 0.15 0.08 0.23 0.03 0.02 0.00 0.00 177.57 178.08 2b95 h ARG 68 N 0.42 0.00 0.00 1.57 2.47 -1.55 0.16 114.38 117.45 2b95 h ARG 68 Ca 0.37 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.92 2b95 h ARG 68 Cb 0.86 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.15 2b95 h ARG 68 CO -0.12 0.00 -0.88 0.22 0.56 0.00 0.00 179.97 179.75 2b95 h ASP 69 N 0.00 0.00 0.21 7.04 1.82 -0.88 -3.24 116.42 121.37 2b95 h ASP 69 Ca 0.09 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 2b95 h ASP 69 Cb 0.54 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.55 2b95 h ASP 69 CO -0.00 0.82 -0.11 0.40 -1.61 0.00 0.00 179.24 178.74 2b95 h ILE 70 N 0.00 0.77 -1.89 2.25 2.04 -0.67 -3.45 117.51 116.56 2b95 h ILE 70 Ca -0.03 -0.42 0.18 0.00 1.00 0.00 0.00 64.86 65.59 2b95 h ILE 70 Cb 1.65 1.25 -0.17 0.00 -0.74 0.00 0.00 36.82 38.81 2b95 h ILE 70 CO 0.10 0.11 0.65 -1.81 0.00 0.00 0.00 178.15 177.20 2b95 s ASP 71 N -6.49 -0.25 0.00 1.72 1.01 -1.19 -5.07 116.67 106.41 2b95 s ASP 71 Ca -0.04 -0.01 -0.23 0.00 0.71 0.00 0.00 52.55 52.97 2b95 s ASP 71 Cb 0.15 0.27 -0.18 0.00 1.01 0.00 0.00 42.92 44.17 2b95 s ASP 71 CO 0.62 -0.44 1.30 1.55 0.21 0.00 0.00 175.17 178.41 2b95 h PRO 72 N 2.00 0.16 -3.67 8.23 0.13 -1.89 -3.40 132.00 133.56 2b95 h PRO 72 Ca -0.16 -0.08 -0.71 0.00 -0.87 0.00 0.00 66.00 64.17 2b95 h PRO 72 Cb 1.21 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.00 2b95 h PRO 72 CO 0.27 0.60 -0.28 -0.65 -0.23 0.00 0.00 178.00 177.70 2b95 s GLN 73 N -4.27 2.74 0.17 0.86 -0.21 -1.26 -5.05 119.66 112.64 2b95 s GLN 73 Ca -0.15 -2.48 0.00 0.00 0.02 0.00 0.00 55.36 52.75 2b95 s GLN 73 Cb 0.03 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 30.14 2b95 s GLN 73 CO 0.71 -1.19 0.04 1.21 -2.12 0.00 0.00 175.29 173.94 2b95 s ASN 74 N 1.04 0.79 -0.05 5.90 3.84 -1.26 -5.17 114.94 120.02 2b95 s ASN 74 Ca 0.17 -1.23 -0.19 0.00 0.21 0.00 0.00 52.86 51.81 2b95 s ASN 74 Cb -0.19 0.21 0.04 0.00 -0.55 0.00 0.00 41.25 40.76 2b95 s ASN 74 CO -0.04 -0.67 0.43 -1.81 -2.79 0.00 0.00 177.10 172.22 2b95 s ASP 75 N -3.14 -0.37 -0.15 -4.21 1.01 -1.26 -5.00 116.67 103.55 2b95 s ASP 75 Ca 0.27 0.40 -0.10 0.00 0.71 0.00 0.00 52.55 53.83 2b95 s ASP 75 Cb 0.07 0.48 -0.05 0.00 1.01 0.00 0.00 42.92 44.44 2b95 s ASP 75 CO 0.05 -0.44 0.19 -0.76 0.21 0.00 0.00 175.17 174.42 2b95 s LEU 76 N -1.01 4.30 0.00 1.23 2.01 -1.26 -4.93 118.68 119.01 2b95 s LEU 76 Ca -0.10 0.42 0.00 0.00 0.01 0.00 0.00 54.13 54.46 2b95 s LEU 76 Cb -0.03 -2.18 0.01 0.00 0.01 0.00 0.00 46.19 44.00 2b95 s LEU 76 CO 0.05 0.25 0.69 1.07 1.01 0.00 0.00 176.35 179.42 2b95 n THR 77 N 2.89 0.00 -3.65 5.49 5.66 -1.26 -4.65 114.28 118.76 2b95 n THR 77 Ca -0.16 -0.01 0.01 0.00 -3.05 0.00 0.00 64.05 60.84 2b95 n THR 77 Cb 0.53 0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.05 -0.29 1.09 2.19 -1.26 -4.78 117.98 114.89 2b95 s PHE 78 Ca 0.00 0.10 0.01 0.00 0.33 0.00 0.00 56.93 57.37 2b95 s PHE 78 Cb 0.01 0.12 0.15 0.00 -1.31 0.00 0.00 43.02 41.99 2b95 s PHE 78 CO -0.00 -0.02 0.38 -1.17 1.83 0.00 0.00 175.22 176.24 2b95 s LEU 79 N 0.82 -0.65 0.15 6.12 2.96 -0.17 -4.96 118.68 122.96 2b95 s LEU 79 Ca -0.05 -0.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.51 2b95 s LEU 79 Cb -0.03 0.97 -0.04 0.00 0.50 0.00 0.00 46.19 47.59 2b95 s LEU 79 CO -0.11 -0.36 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.43 2b95 s ARG 80 N 2.50 2.43 -0.36 1.98 0.52 -1.26 -1.99 118.95 122.77 2b95 s ARG 80 Ca 0.10 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 2b95 s ARG 80 Cb -0.13 -2.40 0.15 0.00 0.52 0.00 0.00 34.95 33.09 2b95 s ARG 80 CO -0.30 0.48 0.34 0.96 0.02 0.00 0.00 175.30 176.80 2b95 s ILE 81 N -1.60 -0.26 -0.30 1.52 -4.36 -1.26 -5.05 121.20 109.90 2b95 s ILE 81 Ca 0.27 -1.08 -0.28 0.00 -0.26 0.00 0.00 60.65 59.30 2b95 s ILE 81 Cb -0.10 -0.77 -0.04 0.00 1.25 0.00 0.00 42.46 42.81 2b95 s ILE 81 CO 0.18 -0.65 2.07 -0.60 0.24 0.00 0.00 174.94 176.19 2b95 s ARG 82 N 1.43 3.10 0.01 0.37 3.52 -1.26 -4.19 118.95 121.92 2b95 s ARG 82 Ca 0.17 1.71 0.00 0.00 -0.13 0.00 0.00 55.73 57.48 2b95 s ARG 82 Cb -0.16 -4.33 0.00 0.00 -1.56 0.00 0.00 34.95 28.90 2b95 s ARG 82 CO -0.05 -2.14 0.01 0.43 -0.81 0.00 0.00 175.30 172.75 2b95 n SER 83 N 11.59 0.03 0.04 -2.12 7.64 -1.23 -5.02 113.62 124.55 2b95 n SER 83 Ca 0.28 -1.02 0.01 0.00 1.01 0.00 0.00 58.87 59.14 2b95 n SER 83 Cb 0.47 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.59 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 -3.39 116.57 114.14 2b95 h LYS 84 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2b95 h LYS 84 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2b95 h LYS 84 CO 0.01 0.29 -0.91 0.87 -0.57 0.00 0.00 179.45 179.14 2b95 h LYS 85 N 0.00 0.00 -2.15 3.15 1.79 -1.99 -3.51 116.57 113.86 2b95 h LYS 85 Ca -0.14 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.49 2b95 h LYS 85 Cb 1.54 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 32.06 2b95 h LYS 85 CO 0.05 0.71 0.55 0.54 -1.08 0.00 0.00 179.45 180.22 2b95 s ASN 86 N -6.47 -0.26 -0.14 0.86 4.22 -1.26 -4.74 114.94 107.15 2b95 s ASN 86 Ca -0.23 -0.14 -0.16 0.00 -2.14 0.00 0.00 52.86 50.19 2b95 s ASN 86 Cb 0.04 0.38 -0.04 0.00 1.28 0.00 0.00 41.25 42.90 2b95 s ASN 86 CO 0.48 -0.65 0.38 -1.83 -2.04 0.00 0.00 177.10 173.45 2b95 s GLU 87 N -3.05 4.29 -0.35 3.55 4.04 -0.30 -3.51 118.70 123.37 2b95 s GLU 87 Ca 0.09 0.27 0.00 0.00 0.04 0.00 0.00 54.97 55.37 2b95 s GLU 87 Cb -0.01 -3.43 0.09 0.00 0.02 0.00 0.00 34.13 30.81 2b95 s GLU 87 CO -0.05 0.21 0.09 0.42 -1.84 0.00 0.00 175.26 174.09 2b95 s ILE 88 N 0.52 2.81 0.06 1.83 1.09 -1.26 -2.00 121.20 124.24 2b95 s ILE 88 Ca 0.21 -2.00 -0.30 0.00 -1.10 0.00 0.00 60.65 57.46 2b95 s ILE 88 Cb -0.14 -2.89 -0.05 0.00 -1.06 0.00 0.00 42.46 38.31 2b95 s ILE 88 CO 0.07 -0.50 1.13 -0.04 -0.10 0.00 0.00 174.94 175.50 2b95 s MET 89 N 1.08 4.48 -0.11 2.79 -1.94 0.84 -4.18 119.30 122.26 2b95 s MET 89 Ca 0.05 1.67 -0.06 0.00 -1.71 0.00 0.00 55.69 55.64 2b95 s MET 89 Cb -0.21 -3.37 0.04 0.00 2.01 0.00 0.00 34.83 33.31 2b95 s MET 89 CO -0.05 -0.17 0.26 0.08 -0.01 0.00 0.00 175.02 175.13 2b95 s VAL 90 N 0.93 -0.03 0.10 -6.03 1.01 -0.84 -0.90 120.40 114.63 2b95 s VAL 90 Ca 0.56 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.49 2b95 s VAL 90 Cb -0.27 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.74 2b95 s VAL 90 CO 0.29 0.05 0.41 0.00 0.00 0.00 0.00 175.10 175.85 2b95 s ALA 91 N 1.11 -0.97 0.09 5.51 0.00 -1.23 -1.00 121.76 125.27 2b95 s ALA 91 Ca -0.08 0.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 2b95 s ALA 91 Cb -0.09 0.57 -0.07 0.00 0.00 0.00 0.00 23.12 23.53 2b95 s ALA 91 CO -0.08 -0.58 1.37 -1.25 0.00 0.00 0.00 175.76 175.23 2b95 s PRO 92 N -3.32 4.33 0.00 0.00 0.04 -1.26 -3.56 135.00 131.22 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 0.01 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2b95 s PRO 92 CO -0.08 -0.44 0.00 -3.47 0.04 0.00 0.00 177.00 173.05 2b95 n ASP 93 N 4.15 0.97 -0.09 6.66 -0.08 -0.44 -4.85 116.55 122.86 2b95 n ASP 93 Ca 0.11 -0.86 -0.07 0.00 -1.51 0.00 0.00 54.79 52.47 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 -0.17 0.00 -0.67 1.57 -2.02 -3.37 116.57 111.91 2b95 h LYS 94 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2b95 h LYS 94 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2b95 h LYS 94 CO 0.00 -0.11 -0.15 -0.40 -0.57 0.00 0.00 179.45 178.22 2b95 n ASP 95 N -5.38 0.00 -3.97 0.86 5.75 -1.26 -5.12 116.55 107.43 2b95 n ASP 95 Ca 0.01 -1.29 -0.12 0.00 -0.01 0.00 0.00 54.79 53.38 2b95 n ASP 95 Cb 0.29 -0.06 -0.08 0.00 -1.03 0.00 0.00 41.12 40.25 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 0.97 -0.27 2.11 1.13 -1.26 -1.47 117.35 118.57 2b95 s TYR 96 Ca 0.00 -1.21 0.01 0.00 -1.41 0.00 0.00 57.07 54.47 2b95 s TYR 96 Cb 0.00 -0.31 0.05 0.00 -1.10 0.00 0.00 41.96 40.61 2b95 s TYR 96 CO 0.00 -0.81 -0.08 -0.06 -2.51 0.00 0.00 175.55 172.08 2b95 s PHE 97 N -3.94 3.23 0.21 -3.49 0.08 0.99 -1.33 117.98 113.74 2b95 s PHE 97 Ca 0.33 -2.13 -0.30 0.00 0.12 0.00 0.00 56.93 54.96 2b95 s PHE 97 Cb 0.04 -1.99 -0.08 0.00 -0.57 0.00 0.00 43.02 40.42 2b95 s PHE 97 CO 0.13 -0.85 0.97 -1.17 -0.10 0.00 0.00 175.22 174.21 2b95 s LEU 98 N 1.16 4.60 -0.20 -0.37 0.20 -1.23 -2.63 118.68 120.21 2b95 s LEU 98 Ca -0.07 1.96 -0.02 0.00 0.69 0.00 0.00 54.13 56.70 2b95 s LEU 98 Cb -0.19 -3.61 0.06 0.00 -0.43 0.00 0.00 46.19 42.02 2b95 s LEU 98 CO -0.04 0.06 0.02 -0.63 -0.29 0.00 0.00 176.35 175.46 2b95 s ILE 99 N -0.88 0.73 -0.30 6.68 1.01 -0.23 -3.56 121.20 124.65 2b95 s ILE 99 Ca 0.43 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 2b95 s ILE 99 Cb -0.26 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.04 2b95 s ILE 99 CO 0.33 -0.19 0.04 -0.69 0.00 0.00 0.00 174.94 174.43 2b95 s VAL 100 N 1.76 3.51 -0.15 2.92 1.01 -0.08 -1.42 120.40 127.96 2b95 s VAL 100 Ca -0.02 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 2b95 s VAL 100 Cb -0.17 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2b95 s VAL 100 CO -0.08 0.01 -0.02 -0.63 0.00 0.00 0.00 175.10 174.38 2b95 s ILE 101 N 1.39 4.04 0.15 2.22 1.01 -0.74 -0.11 121.20 129.16 2b95 s ILE 101 Ca -0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 2b95 s ILE 101 Cb -0.18 -2.76 0.07 0.00 0.01 0.00 0.00 42.46 39.60 2b95 s ILE 101 CO 0.00 0.51 1.00 0.00 0.00 0.00 0.00 174.94 176.45 2b95 s GLN 102 N 0.16 1.19 0.97 2.79 -2.07 -0.85 -0.12 119.66 121.74 2b95 s GLN 102 Ca -0.01 -0.69 -0.13 0.00 -1.82 0.00 0.00 55.36 52.71 2b95 s GLN 102 Cb -0.13 0.38 0.04 0.00 -1.09 0.00 0.00 33.01 32.21 2b95 s GLN 102 CO 0.02 -0.55 0.35 0.09 -1.32 0.00 0.00 175.29 173.88 2b95 n ASN 103 N -0.68 -2.19 -4.77 12.60 3.02 -0.52 -1.15 115.26 121.57 2b95 n ASN 103 Ca -0.05 0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 2b95 n ASN 103 Cb 0.60 -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 -3.59 3.36 -0.12 3.52 0.04 -1.26 -4.32 135.00 132.62 2b95 s PRO 104 Ca 0.56 1.61 0.05 0.00 0.04 0.00 0.00 61.00 63.27 2b95 s PRO 104 Cb -0.20 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 2b95 s PRO 104 CO 0.68 -0.85 -0.04 0.25 0.04 0.00 0.00 177.00 177.08 2b95 n THR 105 N -1.30 0.74 0.00 1.26 -2.24 -1.26 -5.02 114.28 106.45 2b95 n THR 105 Ca 0.12 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 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 1.21 -0.57 0.00 0.00 175.07 175.71