#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 1.59 -0.27 -5.12 0.00 -2.05 -1.30 119.26 112.11 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 17.63 2b95 h ALA 12 CO 0.00 -0.01 -0.15 1.49 0.00 0.00 0.00 179.25 180.58 2b95 h GLU 13 N 0.78 -0.12 -0.40 0.00 4.81 -2.06 0.16 114.58 117.76 2b95 h GLU 13 Ca 0.55 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.74 2b95 h GLU 13 Cb 0.81 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2b95 h GLU 13 CO -0.36 -0.08 0.02 0.28 -0.73 0.00 0.00 179.01 178.14 2b95 h VAL 14 N -0.12 1.21 -0.42 0.32 2.07 -1.71 -2.56 116.25 115.04 2b95 h VAL 14 Ca 0.14 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 2b95 h VAL 14 Cb 0.34 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2b95 h VAL 14 CO -0.34 0.30 -0.13 -0.33 0.02 0.00 0.00 177.57 177.08 2b95 h GLU 15 N 0.60 0.77 -0.29 1.57 5.08 -0.40 -0.24 114.58 121.68 2b95 h GLU 15 Ca 0.13 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 2b95 h GLU 15 Cb 0.35 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2b95 h GLU 15 CO 0.01 0.87 -0.18 1.49 -1.00 0.00 0.00 179.01 180.20 2b95 h GLU 16 N 0.70 0.51 0.00 2.33 4.22 -0.34 -1.49 114.58 120.50 2b95 h GLU 16 Ca 0.11 -0.17 -0.14 0.00 0.08 0.00 0.00 59.36 59.25 2b95 h GLU 16 Cb 0.62 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2b95 h GLU 16 CO 0.04 0.67 -0.74 1.15 -2.18 0.00 0.00 179.01 177.95 2b95 h THR 17 N 0.46 0.99 -0.05 0.32 2.02 -1.21 -3.28 112.91 112.16 2b95 h THR 17 Ca 0.08 -2.45 -0.23 0.00 0.77 0.00 0.00 66.41 64.58 2b95 h THR 17 Cb 0.58 2.46 0.01 0.00 -1.74 0.00 0.00 68.15 69.46 2b95 h THR 17 CO 0.04 0.56 -0.90 -0.07 0.37 0.00 0.00 175.52 175.52 2b95 h LEU 18 N 0.00 0.75 0.05 2.58 4.07 -0.74 -2.33 115.31 119.69 2b95 h LEU 18 Ca -0.03 -0.56 0.01 0.00 0.08 0.00 0.00 57.88 57.38 2b95 h LEU 18 Cb 1.50 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 2b95 h LEU 18 CO 0.08 1.35 -0.07 0.50 -1.08 0.00 0.00 178.44 179.22 2b95 h LYS 19 N 0.37 -0.14 -0.63 1.13 1.63 -1.36 0.20 116.57 117.77 2b95 h LYS 19 Ca -0.08 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 59.64 2b95 h LYS 19 Cb 1.53 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.17 2b95 h LYS 19 CO 0.17 -0.09 0.04 -0.09 -3.45 0.00 0.00 179.45 176.02 2b95 h ARG 20 N -0.15 1.09 0.14 1.90 9.65 -1.64 -0.94 114.38 124.43 2b95 h ARG 20 Ca 0.01 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.56 2b95 h ARG 20 Cb 0.15 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2b95 h ARG 20 CO -0.04 1.04 -0.07 -0.07 2.80 0.00 0.00 179.97 183.63 2b95 h LEU 21 N 1.00 -0.16 -1.85 3.80 4.07 -1.14 -1.51 115.31 119.52 2b95 h LEU 21 Ca 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 2b95 h LEU 21 Cb 0.52 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 2b95 h LEU 21 CO 0.02 -0.01 -0.10 -0.61 -1.08 0.00 0.00 178.44 176.67 2b95 h GLN 22 N -0.31 0.00 0.00 1.13 4.15 -0.57 -1.92 115.11 117.59 2b95 h GLN 22 Ca -0.02 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 2b95 h GLN 22 Cb 0.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2b95 h GLN 22 CO 0.03 0.10 -0.26 0.77 -1.93 0.00 0.00 178.83 177.54 2b95 h SER 23 N 0.00 0.00 -2.71 -0.69 0.02 -0.71 -3.45 113.55 106.01 2b95 h SER 23 Ca -0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2b95 h SER 23 Cb 0.39 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2b95 h SER 23 CO 0.01 0.26 -0.49 0.00 -1.14 0.00 0.00 176.83 175.47 2b95 s GLN 24 N -3.16 3.36 0.52 3.45 -2.07 -0.61 -5.07 119.66 116.08 2b95 s GLN 24 Ca 0.05 -0.58 -0.18 0.00 -1.82 0.00 0.00 55.36 52.83 2b95 s GLN 24 Cb 0.07 -2.95 -0.07 0.00 -1.09 0.00 0.00 33.01 28.97 2b95 s GLN 24 CO 0.70 0.55 1.02 0.21 -1.32 0.00 0.00 175.29 176.44 2b95 s LYS 25 N -2.96 3.73 0.00 9.60 2.20 -1.26 -4.06 119.74 126.98 2b95 s LYS 25 Ca 0.34 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 57.13 2b95 s LYS 25 Cb -0.12 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 2b95 s LYS 25 CO 0.28 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 2b95 n GLY 26 N -0.88 3.13 3.65 5.54 0.00 -1.26 -4.93 105.19 110.44 2b95 n GLY 26 Ca 0.08 -0.88 -0.49 0.00 0.00 0.00 0.00 46.02 44.74 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 0.51 0.02 1.61 0.31 -1.26 -2.25 118.33 117.27 2b95 n VAL 27 Ca 0.00 -0.14 -0.08 0.00 -0.01 0.00 0.00 64.34 64.11 2b95 n VAL 27 Cb 0.00 -1.86 -0.13 0.00 -0.91 0.00 0.00 33.84 30.94 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 9.84 0.00 0.00 5.55 4.20 -0.87 -3.47 115.11 130.37 2b95 h GLN 28 Ca -0.46 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2b95 h GLN 28 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2b95 h GLN 28 CO 0.96 0.75 0.00 0.41 -0.67 0.00 0.00 178.83 180.27 2b95 n GLY 29 N 1.45 3.99 3.51 3.46 0.00 -1.21 -4.90 105.19 111.50 2b95 n GLY 29 Ca -0.09 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.05 3.25 0.02 -0.61 1.09 -1.26 -2.85 121.20 119.79 2b95 s ILE 30 Ca 0.00 -0.69 0.05 0.00 -1.10 0.00 0.00 60.65 58.91 2b95 s ILE 30 Cb 0.00 -2.30 -0.02 0.00 -1.06 0.00 0.00 42.46 39.08 2b95 s ILE 30 CO 0.00 0.57 -0.14 -0.63 -0.10 0.00 0.00 174.94 174.64 2b95 s ILE 31 N -0.78 1.10 -0.30 2.92 1.01 -0.88 -2.70 121.20 121.57 2b95 s ILE 31 Ca 0.12 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2b95 s ILE 31 Cb -0.11 -0.97 0.08 0.00 0.01 0.00 0.00 42.46 41.47 2b95 s ILE 31 CO 0.01 0.10 -0.02 -0.69 0.00 0.00 0.00 174.94 174.35 2b95 s VAL 32 N -0.67 2.13 0.21 2.92 1.01 0.93 -2.55 120.40 124.38 2b95 s VAL 32 Ca 0.03 -1.94 0.08 0.00 0.00 0.00 0.00 61.98 60.15 2b95 s VAL 32 Cb -0.07 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2b95 s VAL 32 CO 0.01 -0.33 0.04 -0.69 0.00 0.00 0.00 175.10 174.12 2b95 s VAL 33 N 1.04 3.81 0.00 2.92 1.01 -1.21 -0.53 120.40 127.45 2b95 s VAL 33 Ca 0.01 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.46 2b95 s VAL 33 Cb -0.19 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2b95 s VAL 33 CO -0.07 -0.22 0.00 0.59 0.00 0.00 0.00 175.10 175.40 2b95 n ASN 34 N -0.52 0.00 0.25 3.32 3.02 -1.08 -0.06 115.26 120.20 2b95 n ASN 34 Ca -0.08 -0.98 0.14 0.00 -0.03 0.00 0.00 54.58 53.62 2b95 n ASN 34 Cb 0.57 0.00 0.55 0.00 -0.61 0.00 0.00 39.78 40.29 2b95 n ASN 34 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2b95 h THR 35 N -0.12 0.23 0.13 3.41 1.35 -1.89 -3.16 112.91 112.86 2b95 h THR 35 Ca 0.00 -0.81 -0.29 0.00 -0.55 0.00 0.00 66.41 64.77 2b95 h THR 35 Cb 0.00 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 2b95 h THR 35 CO 0.00 0.09 -1.44 -0.33 -0.25 0.00 0.00 175.52 173.60 2b95 h GLU 36 N 0.00 0.28 0.00 4.72 5.08 -1.94 -3.49 114.58 119.24 2b95 h GLU 36 Ca -0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2b95 h GLU 36 Cb 0.65 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2b95 h GLU 36 CO 0.01 1.23 0.00 0.41 -1.00 0.00 0.00 179.01 179.67 2b95 n GLY 37 N 1.76 0.01 3.63 -3.84 0.00 -1.20 -5.03 105.19 100.53 2b95 n GLY 37 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.64 4.39 -0.97 -0.61 1.01 -1.26 -4.71 121.20 118.40 2b95 s ILE 38 Ca 0.00 1.56 -0.24 0.00 0.00 0.00 0.00 60.65 61.97 2b95 s ILE 38 Cb 0.00 -4.42 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 2b95 s ILE 38 CO 0.00 -0.60 1.94 -2.16 0.00 0.00 0.00 174.94 174.12 2b95 s PRO 39 N 3.91 2.54 0.39 2.79 0.04 -1.26 -2.63 135.00 140.78 2b95 s PRO 39 Ca 0.48 -0.51 0.17 0.00 0.04 0.00 0.00 61.00 61.17 2b95 s PRO 39 Cb -0.12 -5.11 1.05 0.00 0.04 0.00 0.00 34.50 30.37 2b95 s PRO 39 CO 0.20 -3.53 1.79 -0.84 0.04 0.00 0.00 177.00 174.66 2b95 h ILE 40 N 6.99 0.58 -3.45 0.56 3.07 -1.16 -3.41 117.51 120.68 2b95 h ILE 40 Ca 0.13 -0.15 -0.16 0.00 1.55 0.00 0.00 64.86 66.23 2b95 h ILE 40 Cb 0.99 0.10 -0.23 0.00 -0.27 0.00 0.00 36.82 37.41 2b95 h ILE 40 CO 1.21 0.08 -0.50 -0.54 -1.05 0.00 0.00 178.15 177.35 2b95 s LYS 41 N -5.52 0.38 -0.15 0.16 -0.14 -1.09 -5.03 119.74 108.36 2b95 s LYS 41 Ca -0.09 -0.19 -0.29 0.00 -1.36 0.00 0.00 55.97 54.05 2b95 s LYS 41 Cb 0.25 0.16 0.07 0.00 -1.68 0.00 0.00 37.83 36.64 2b95 s LYS 41 CO 0.80 -0.08 0.72 -1.54 -0.76 0.00 0.00 175.35 174.48 2b95 s SER 42 N -0.88 -0.67 0.00 2.83 1.04 -1.26 -0.05 113.70 114.70 2b95 s SER 42 Ca -0.10 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2b95 s SER 42 Cb -0.05 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.95 2b95 s SER 42 CO 0.01 -0.45 0.01 1.07 0.98 0.00 0.00 173.24 174.87 2b95 n THR 43 N 1.61 0.00 -0.96 2.02 5.66 -1.10 -5.05 114.28 116.47 2b95 n THR 43 Ca -0.16 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 2b95 n THR 43 Cb 0.56 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 2b95 n THR 43 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 175.07 172.82 2b95 n MET 44 N -0.92 0.18 -1.71 1.09 1.56 -1.26 -4.93 117.12 111.12 2b95 n MET 44 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.11 2b95 n MET 44 Cb 0.00 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.42 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 5.14 0.07 6.12 1.11 -1.26 -4.83 116.67 122.03 2b95 s ASP 45 Ca 0.00 1.91 -0.34 0.00 0.18 0.00 0.00 52.55 54.30 2b95 s ASP 45 Cb 0.00 -2.54 -0.18 0.00 1.07 0.00 0.00 42.92 41.27 2b95 s ASP 45 CO 0.00 -1.60 1.60 -1.13 1.18 0.00 0.00 175.17 175.22 2b95 h ASN 46 N -0.15 -0.97 0.72 0.27 -0.00 -1.99 0.23 115.58 113.70 2b95 h ASN 46 Ca -0.46 0.05 -0.05 0.00 -0.00 0.00 0.00 56.30 55.84 2b95 h ASN 46 Cb 1.24 0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 39.82 2b95 h ASN 46 CO 0.54 -0.62 -0.24 1.55 -0.00 0.00 0.00 177.43 178.66 2b95 h PRO 47 N -0.99 0.00 0.04 6.67 0.13 -1.99 -2.22 132.00 133.64 2b95 h PRO 47 Ca -0.09 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.82 2b95 h PRO 47 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2b95 h PRO 47 CO 0.10 0.24 -1.02 1.15 -0.23 0.00 0.00 178.00 178.24 2b95 h THR 48 N 0.00 1.51 0.00 1.56 2.02 -1.88 -3.10 112.91 113.02 2b95 h THR 48 Ca -0.00 -2.84 -0.02 0.00 0.77 0.00 0.00 66.41 64.31 2b95 h THR 48 Cb 0.67 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 2b95 h THR 48 CO 0.03 0.83 -0.10 0.74 0.37 0.00 0.00 175.52 177.39 2b95 h THR 49 N 0.10 1.63 -0.65 3.16 2.02 -0.38 -2.85 112.91 115.93 2b95 h THR 49 Ca -0.07 -1.97 0.14 0.00 0.77 0.00 0.00 66.41 65.27 2b95 h THR 49 Cb 1.70 2.94 -0.04 0.00 -1.74 0.00 0.00 68.15 71.01 2b95 h THR 49 CO 0.16 0.52 0.45 0.74 0.37 0.00 0.00 175.52 177.76 2b95 h THR 50 N -0.72 0.80 -0.05 3.16 2.02 -1.53 0.25 112.91 116.85 2b95 h THR 50 Ca -0.01 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 2b95 h THR 50 Cb 0.91 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2b95 h THR 50 CO 0.02 0.05 -0.19 -0.61 0.37 0.00 0.00 175.52 175.16 2b95 h GLN 51 N 0.29 0.21 0.21 6.66 -0.00 -1.59 -2.60 115.11 118.29 2b95 h GLN 51 Ca 0.32 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.65 58.79 2b95 h GLN 51 Cb 0.83 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.35 2b95 h GLN 51 CO -0.07 0.81 -0.10 1.88 0.00 0.00 0.00 178.83 181.34 2b95 h TYR 52 N -0.33 -0.26 -0.07 3.99 -1.99 -1.08 -2.44 116.97 114.78 2b95 h TYR 52 Ca -0.01 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.73 2b95 h TYR 52 Cb 0.84 0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.65 2b95 h TYR 52 CO 0.14 0.03 0.14 0.00 -0.00 0.00 0.00 178.16 178.47 2b95 h ALA 53 N 0.15 1.42 0.13 3.88 0.00 -0.66 0.26 119.26 124.44 2b95 h ALA 53 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2b95 h ALA 53 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2b95 h ALA 53 CO 0.05 -0.17 -0.06 1.03 0.00 0.00 0.00 179.25 180.09 2b95 h SER 54 N 0.00 -0.14 0.98 0.00 0.87 -1.13 -3.27 113.55 110.85 2b95 h SER 54 Ca 0.03 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2b95 h SER 54 Cb 0.31 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2b95 h SER 54 CO -0.00 0.46 0.00 0.00 -0.53 0.00 0.00 176.83 176.76 2b95 n LEU 55 N -4.87 0.60 0.02 2.23 -0.00 -0.94 -3.39 117.00 110.64 2b95 n LEU 55 Ca -0.07 0.60 -0.01 0.00 -0.00 0.00 0.00 56.01 56.54 2b95 n LEU 55 Cb 0.24 -0.47 -0.00 0.00 -0.00 0.00 0.00 43.42 43.19 2b95 n LEU 55 CO 0.21 -0.35 0.43 0.24 -0.00 0.00 0.00 177.39 177.92 2b95 h MET 56 N 0.00 -0.04 -0.55 1.47 2.86 -0.56 0.25 114.93 118.36 2b95 h MET 56 Ca 0.00 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 2b95 h MET 56 Cb 0.49 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 2b95 h MET 56 CO 0.00 -0.03 0.39 1.25 1.06 0.00 0.00 176.91 179.58 2b95 h HIS 57 N -0.05 0.11 0.00 -0.22 -0.00 -1.67 0.26 115.15 113.59 2b95 h HIS 57 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 2b95 h HIS 57 Cb 0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2b95 h HIS 57 CO 0.19 0.05 -0.42 1.03 -0.00 0.00 0.00 177.93 178.78 2b95 h SER 58 N 0.10 0.00 0.09 3.26 0.87 -1.56 -2.83 113.55 113.48 2b95 h SER 58 Ca 0.26 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2b95 h SER 58 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2b95 h SER 58 CO -0.03 0.42 -0.04 0.15 -0.53 0.00 0.00 176.83 176.80 2b95 h PHE 59 N 0.00 -0.11 -0.94 2.24 3.57 0.30 -3.14 116.94 118.87 2b95 h PHE 59 Ca -0.00 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.63 2b95 h PHE 59 Cb 1.10 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 2b95 h PHE 59 CO 0.00 0.19 0.60 0.82 -2.23 0.00 0.00 178.31 177.68 2b95 h ILE 60 N -1.00 0.86 0.00 1.41 1.08 -1.44 0.21 117.51 118.64 2b95 h ILE 60 Ca -0.01 -0.28 -0.03 0.00 -0.39 0.00 0.00 64.86 64.15 2b95 h ILE 60 Cb 0.34 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.06 2b95 h ILE 60 CO 0.02 0.15 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.42 2b95 h LEU 61 N 0.82 0.00 0.05 1.44 4.07 -1.61 0.24 115.31 120.32 2b95 h LEU 61 Ca 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.43 2b95 h LEU 61 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 2b95 h LEU 61 CO -0.24 0.14 -0.02 0.50 -1.08 0.00 0.00 178.44 177.74 2b95 h LYS 62 N 0.00 -0.06 -0.16 1.13 1.63 -0.55 -2.97 116.57 115.59 2b95 h LYS 62 Ca -0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2b95 h LYS 62 Cb 0.34 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2b95 h LYS 62 CO 0.02 0.54 -0.03 0.00 -3.45 0.00 0.00 179.45 176.52 2b95 h ALA 63 N -0.23 0.22 -0.69 5.00 0.00 -1.29 -2.29 119.26 119.98 2b95 h ALA 63 Ca -0.01 -0.23 0.14 0.00 0.00 0.00 0.00 54.91 54.81 2b95 h ALA 63 Cb 0.63 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2b95 h ALA 63 CO 0.01 -0.02 0.47 -0.09 0.00 0.00 0.00 179.25 179.61 2b95 h ARG 64 N 0.02 0.36 0.00 0.00 2.43 -0.67 0.33 114.38 116.85 2b95 h ARG 64 Ca 0.04 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 2b95 h ARG 64 Cb 0.46 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2b95 h ARG 64 CO 0.01 0.24 -0.56 1.03 -1.51 0.00 0.00 179.97 179.18 2b95 h SER 65 N 0.37 0.00 0.62 -3.80 0.87 -1.34 -3.26 113.55 107.01 2b95 h SER 65 Ca 0.33 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.62 2b95 h SER 65 Cb 0.78 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2b95 h SER 65 CO -0.10 0.56 -1.37 0.74 -0.53 0.00 0.00 176.83 176.14 2b95 h THR 66 N 0.00 1.32 -0.90 2.23 2.02 -0.13 -3.33 112.91 114.13 2b95 h THR 66 Ca -0.01 -2.99 0.16 0.00 0.77 0.00 0.00 66.41 64.34 2b95 h THR 66 Cb 1.35 2.78 -0.10 0.00 -1.74 0.00 0.00 68.15 70.44 2b95 h THR 66 CO 0.07 0.83 0.49 0.58 0.37 0.00 0.00 175.52 177.87 2b95 h VAL 67 N 0.05 0.73 -0.40 3.16 2.07 -0.55 0.24 116.25 121.55 2b95 h VAL 67 Ca -0.17 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.23 2b95 h VAL 67 Cb 1.95 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2b95 h VAL 67 CO 0.16 0.12 0.38 0.03 0.02 0.00 0.00 177.57 178.28 2b95 h ARG 68 N 0.68 0.00 -0.01 1.57 2.47 -1.67 0.24 114.38 117.67 2b95 h ARG 68 Ca 0.49 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 59.15 2b95 h ARG 68 Cb 0.70 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 2b95 h ARG 68 CO -0.36 0.00 -0.29 0.22 0.56 0.00 0.00 179.97 180.10 2b95 h ASP 69 N 0.00 0.01 -0.10 7.04 1.82 -0.72 -3.00 116.42 121.47 2b95 h ASP 69 Ca 0.19 -0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.79 2b95 h ASP 69 Cb 0.94 -0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.95 2b95 h ASP 69 CO -0.00 0.29 -0.08 0.40 -1.61 0.00 0.00 179.24 178.24 2b95 h ILE 70 N 0.01 1.35 0.00 2.25 2.04 -0.59 -3.48 117.51 119.09 2b95 h ILE 70 Ca -0.00 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2b95 h ILE 70 Cb 0.51 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2b95 h ILE 70 CO 0.04 0.34 0.00 0.47 0.00 0.00 0.00 178.15 179.00 2b95 n ASP 71 N -4.67 0.00 -0.04 1.72 8.00 -1.13 -5.02 116.55 115.41 2b95 n ASP 71 Ca -0.07 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.34 2b95 n ASP 71 Cb 0.31 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.48 2b95 n ASP 71 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2b95 h PRO 72 N 0.00 0.66 0.21 -0.24 0.13 -1.91 -3.34 132.00 127.51 2b95 h PRO 72 Ca 0.00 -0.35 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2b95 h PRO 72 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2b95 h PRO 72 CO 0.00 0.95 -0.10 1.96 -0.23 0.00 0.00 178.00 180.58 2b95 h GLN 73 N 0.54 -0.27 -6.63 0.86 4.20 -1.96 -3.46 115.11 108.39 2b95 h GLN 73 Ca 0.04 0.02 -0.55 0.00 0.06 0.00 0.00 58.65 58.23 2b95 h GLN 73 Cb 0.94 0.06 0.21 0.00 0.30 0.00 0.00 27.48 28.99 2b95 h GLN 73 CO 0.09 -0.18 -0.69 0.27 -0.67 0.00 0.00 178.83 177.65 2b95 n ASN 74 N -4.43 -2.32 -3.72 1.46 6.94 -1.25 -5.02 115.26 106.92 2b95 n ASN 74 Ca -0.03 0.40 -0.06 0.00 -0.02 0.00 0.00 54.58 54.87 2b95 n ASN 74 Cb 0.11 -1.15 -0.01 0.00 -2.36 0.00 0.00 39.78 36.37 2b95 n ASN 74 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2b95 s ASP 75 N -1.69 -0.20 0.06 0.53 2.15 -1.26 -4.76 116.67 111.50 2b95 s ASP 75 Ca 0.58 -0.63 0.02 0.00 0.43 0.00 0.00 52.55 52.95 2b95 s ASP 75 Cb -0.26 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.00 2b95 s ASP 75 CO 0.66 -1.28 0.09 -0.22 -0.17 0.00 0.00 175.17 174.26 2b95 s LEU 76 N -2.96 3.89 0.00 -1.34 1.98 -1.26 -4.99 118.68 114.00 2b95 s LEU 76 Ca 0.12 0.06 0.01 0.00 -2.89 0.00 0.00 54.13 51.43 2b95 s LEU 76 Cb -0.05 -2.49 0.01 0.00 0.66 0.00 0.00 46.19 44.33 2b95 s LEU 76 CO 0.06 0.20 0.68 1.07 -1.89 0.00 0.00 176.35 176.47 2b95 n THR 77 N 0.62 0.00 -3.62 3.68 5.66 -1.26 -4.93 114.28 114.43 2b95 n THR 77 Ca -0.09 -0.03 -0.01 0.00 -3.05 0.00 0.00 64.05 60.88 2b95 n THR 77 Cb 0.52 0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 69.43 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 -0.43 -0.29 1.09 2.19 -1.26 -4.54 117.98 114.74 2b95 s PHE 78 Ca 0.01 0.85 -0.00 0.00 0.33 0.00 0.00 56.93 58.12 2b95 s PHE 78 Cb 0.01 0.26 0.09 0.00 -1.31 0.00 0.00 43.02 42.07 2b95 s PHE 78 CO -0.00 -0.21 0.07 -0.51 1.83 0.00 0.00 175.22 176.39 2b95 s LEU 79 N 1.35 2.39 -0.30 6.12 1.02 0.88 -4.99 118.68 125.16 2b95 s LEU 79 Ca -0.08 -1.54 -0.04 0.00 0.02 0.00 0.00 54.13 52.50 2b95 s LEU 79 Cb -0.03 -0.94 0.03 0.00 0.02 0.00 0.00 46.19 45.27 2b95 s LEU 79 CO -0.14 -0.38 0.03 -0.13 0.02 0.00 0.00 176.35 175.75 2b95 s ARG 80 N 1.55 2.68 -0.35 1.70 0.52 -1.26 -1.54 118.95 122.25 2b95 s ARG 80 Ca 0.07 -1.11 -0.06 0.00 -0.52 0.00 0.00 55.73 54.11 2b95 s ARG 80 Cb -0.18 -3.24 0.06 0.00 0.52 0.00 0.00 34.95 32.11 2b95 s ARG 80 CO -0.19 -0.55 0.13 0.42 0.02 0.00 0.00 175.30 175.12 2b95 s ILE 81 N 1.35 3.67 -0.51 1.52 1.01 -1.26 -5.05 121.20 121.93 2b95 s ILE 81 Ca -0.02 -1.33 -0.24 0.00 0.00 0.00 0.00 60.65 59.07 2b95 s ILE 81 Cb -0.19 -3.16 0.04 0.00 0.01 0.00 0.00 42.46 39.16 2b95 s ILE 81 CO -0.00 -0.28 0.89 -0.60 0.00 0.00 0.00 174.94 174.95 2b95 s ARG 82 N 1.35 3.37 0.00 2.79 3.00 -1.26 -3.34 118.95 124.86 2b95 s ARG 82 Ca -0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 55.73 54.55 2b95 s ARG 82 Cb -0.21 -4.01 0.00 0.00 0.00 0.00 0.00 34.95 30.74 2b95 s ARG 82 CO 0.01 -1.35 0.00 0.43 0.00 0.00 0.00 175.30 174.39 2b95 n SER 83 N 7.19 0.00 0.05 -2.12 7.64 -1.21 -5.01 113.62 120.17 2b95 n SER 83 Ca 0.02 -1.00 0.01 0.00 1.01 0.00 0.00 58.87 58.91 2b95 n SER 83 Cb 0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.09 1.43 1.57 -2.04 -3.38 116.57 114.25 2b95 h LYS 84 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 2b95 h LYS 84 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2b95 h LYS 84 CO 0.00 0.31 -1.32 0.87 -0.57 0.00 0.00 179.45 178.74 2b95 h LYS 85 N 0.00 0.20 -1.08 3.15 1.79 -2.00 -3.50 116.57 115.13 2b95 h LYS 85 Ca -0.14 -0.34 0.35 0.00 -2.18 0.00 0.00 60.65 58.35 2b95 h LYS 85 Cb 1.54 0.13 -0.17 0.00 -1.58 0.00 0.00 32.23 32.14 2b95 h LYS 85 CO 0.05 1.16 0.97 0.54 -1.08 0.00 0.00 179.45 181.09 2b95 s ASN 86 N -6.96 -0.02 -0.20 0.86 4.22 -1.26 -4.75 114.94 106.83 2b95 s ASN 86 Ca -0.21 -0.01 -0.12 0.00 -2.14 0.00 0.00 52.86 50.38 2b95 s ASN 86 Cb 0.04 0.03 -0.05 0.00 1.28 0.00 0.00 41.25 42.55 2b95 s ASN 86 CO 0.74 -0.05 0.21 -0.70 -2.04 0.00 0.00 177.10 175.26 2b95 s GLU 87 N -2.08 4.17 -0.42 3.55 2.12 -1.03 -3.28 118.70 121.73 2b95 s GLU 87 Ca 0.13 -0.11 -0.05 0.00 0.36 0.00 0.00 54.97 55.30 2b95 s GLU 87 Cb 0.03 -3.48 0.11 0.00 0.26 0.00 0.00 34.13 31.05 2b95 s GLU 87 CO -0.04 0.16 0.24 0.42 -0.54 0.00 0.00 175.26 175.50 2b95 s ILE 88 N 0.74 3.61 0.11 -3.70 1.09 -1.21 -3.01 121.20 118.82 2b95 s ILE 88 Ca 0.11 -1.88 -0.30 0.00 -1.10 0.00 0.00 60.65 57.47 2b95 s ILE 88 Cb -0.13 -3.40 -0.07 0.00 -1.06 0.00 0.00 42.46 37.81 2b95 s ILE 88 CO 0.03 -0.67 1.23 -0.04 -0.10 0.00 0.00 174.94 175.39 2b95 s MET 89 N 1.23 4.43 -0.12 2.79 -1.94 -0.68 -4.06 119.30 120.96 2b95 s MET 89 Ca 0.06 1.85 -0.05 0.00 -1.71 0.00 0.00 55.69 55.84 2b95 s MET 89 Cb -0.24 -3.30 0.06 0.00 2.01 0.00 0.00 34.83 33.36 2b95 s MET 89 CO -0.02 -0.24 0.27 0.08 -0.01 0.00 0.00 175.02 175.10 2b95 s VAL 90 N 0.74 -0.21 0.03 -6.03 1.01 -0.59 -1.93 120.40 113.43 2b95 s VAL 90 Ca 0.58 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.69 2b95 s VAL 90 Cb -0.32 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 2b95 s VAL 90 CO 0.31 0.08 0.13 0.00 0.00 0.00 0.00 175.10 175.63 2b95 s ALA 91 N 1.79 -0.19 0.06 5.51 0.00 -1.23 -0.08 121.76 127.61 2b95 s ALA 91 Ca -0.05 -0.42 -0.31 0.00 0.00 0.00 0.00 51.96 51.18 2b95 s ALA 91 Cb -0.11 0.25 -0.07 0.00 0.00 0.00 0.00 23.12 23.19 2b95 s ALA 91 CO -0.09 -0.32 1.40 -1.25 0.00 0.00 0.00 175.76 175.50 2b95 s PRO 92 N -2.47 4.30 0.00 0.00 0.04 -1.26 -3.59 135.00 132.03 2b95 s PRO 92 Ca -0.06 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2b95 s PRO 92 Cb -0.02 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2b95 s PRO 92 CO -0.04 -0.51 0.00 -3.47 0.04 0.00 0.00 177.00 173.02 2b95 n ASP 93 N 4.69 0.88 -0.10 6.66 -0.08 -0.53 -4.99 116.55 123.07 2b95 n ASP 93 Ca 0.12 -0.79 -0.06 0.00 -1.51 0.00 0.00 54.79 52.55 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 -0.16 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 -0.13 -0.25 -0.57 0.00 0.00 179.45 178.39 2b95 n ASP 95 N -5.38 0.00 -4.08 0.86 9.92 -1.26 -5.13 116.55 111.47 2b95 n ASP 95 Ca 0.01 -1.26 -0.10 0.00 -0.53 0.00 0.00 54.79 52.91 2b95 n ASP 95 Cb 0.30 -0.05 -0.08 0.00 -0.64 0.00 0.00 41.12 40.64 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2b95 s TYR 96 N 0.00 0.73 -0.32 1.24 1.13 -1.26 -2.92 117.35 115.95 2b95 s TYR 96 Ca 0.00 -1.06 -0.01 0.00 -1.41 0.00 0.00 57.07 54.59 2b95 s TYR 96 Cb 0.00 -0.28 0.06 0.00 -1.10 0.00 0.00 41.96 40.64 2b95 s TYR 96 CO 0.00 -0.67 0.03 -0.06 -2.51 0.00 0.00 175.55 172.34 2b95 s PHE 97 N -4.05 3.35 0.13 -3.49 0.08 0.92 -1.45 117.98 113.47 2b95 s PHE 97 Ca 0.26 -2.06 -0.30 0.00 0.12 0.00 0.00 56.93 54.94 2b95 s PHE 97 Cb 0.05 -2.34 -0.07 0.00 -0.57 0.00 0.00 43.02 40.10 2b95 s PHE 97 CO 0.05 -0.85 1.10 -1.17 -0.10 0.00 0.00 175.22 174.25 2b95 s LEU 98 N 1.20 4.45 -0.18 -0.37 0.20 -1.24 -3.30 118.68 119.46 2b95 s LEU 98 Ca -0.02 2.01 -0.01 0.00 0.69 0.00 0.00 54.13 56.79 2b95 s LEU 98 Cb -0.20 -3.59 0.05 0.00 -0.43 0.00 0.00 46.19 42.01 2b95 s LEU 98 CO -0.02 -0.27 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.13 2b95 s ILE 99 N 0.20 0.87 -0.25 6.68 1.09 -1.06 -3.57 121.20 125.16 2b95 s ILE 99 Ca 0.52 -0.60 0.01 0.00 -1.10 0.00 0.00 60.65 59.47 2b95 s ILE 99 Cb -0.28 -1.18 0.04 0.00 -1.06 0.00 0.00 42.46 39.98 2b95 s ILE 99 CO 0.32 -0.01 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.37 2b95 s VAL 100 N 1.72 2.46 -0.12 2.92 1.01 -0.81 -2.08 120.40 125.50 2b95 s VAL 100 Ca -0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 2b95 s VAL 100 Cb -0.16 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2b95 s VAL 100 CO -0.07 0.10 0.04 -0.63 0.00 0.00 0.00 175.10 174.54 2b95 s ILE 101 N 1.21 4.65 0.15 2.22 1.01 -1.13 -1.68 121.20 127.63 2b95 s ILE 101 Ca -0.04 -0.11 -0.24 0.00 0.00 0.00 0.00 60.65 60.26 2b95 s ILE 101 Cb -0.18 -3.01 0.07 0.00 0.01 0.00 0.00 42.46 39.36 2b95 s ILE 101 CO -0.05 0.57 1.02 0.00 0.00 0.00 0.00 174.94 176.48 2b95 s GLN 102 N -0.59 1.19 0.97 2.79 -2.07 -1.16 -0.13 119.66 120.65 2b95 s GLN 102 Ca 0.11 -0.70 -0.13 0.00 -1.82 0.00 0.00 55.36 52.82 2b95 s GLN 102 Cb -0.12 0.37 0.08 0.00 -1.09 0.00 0.00 33.01 32.25 2b95 s GLN 102 CO 0.02 -0.55 0.57 0.09 -1.32 0.00 0.00 175.29 174.10 2b95 n ASN 103 N -0.77 -1.54 -4.77 12.60 3.02 -0.95 -2.45 115.26 120.39 2b95 n ASN 103 Ca -0.05 0.30 -0.36 0.00 -0.03 0.00 0.00 54.58 54.44 2b95 n ASN 103 Cb 0.60 -1.25 -0.00 0.00 -0.61 0.00 0.00 39.78 38.52 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 -3.88 3.45 -0.11 3.52 0.04 -1.26 -4.49 135.00 132.27 2b95 s PRO 104 Ca 0.59 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.32 2b95 s PRO 104 Cb -0.21 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2b95 s PRO 104 CO 0.65 -0.78 -0.06 0.25 0.04 0.00 0.00 177.00 177.10 2b95 n THR 105 N -1.11 0.69 0.00 1.26 -2.24 -1.26 -5.05 114.28 106.57 2b95 n THR 105 Ca 0.11 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2b95 n THR 105 Cb 0.50 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71