#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 1.54 -0.24 3.04 0.00 -2.05 -1.49 119.26 120.07 2b95 h ALA 12 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.03 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 0.93 0.00 0.00 0.00 179.25 180.02 2b95 h GLU 13 N 0.79 -0.16 -0.39 0.00 3.07 -2.06 0.27 114.58 116.11 2b95 h GLU 13 Ca 0.53 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 59.35 2b95 h GLU 13 Cb 0.74 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.67 2b95 h GLU 13 CO -0.35 -0.10 0.03 0.28 -1.40 0.00 0.00 179.01 177.47 2b95 h VAL 14 N -0.16 1.20 -0.36 3.13 2.07 -1.75 -2.78 116.25 117.60 2b95 h VAL 14 Ca 0.13 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 2b95 h VAL 14 Cb 0.36 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2b95 h VAL 14 CO -0.34 0.28 -0.08 -0.33 0.02 0.00 0.00 177.57 177.13 2b95 h GLU 15 N 0.58 0.69 -0.61 1.57 5.08 -0.38 -1.62 114.58 119.89 2b95 h GLU 15 Ca 0.13 -0.26 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2b95 h GLU 15 Cb 0.32 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 2b95 h GLU 15 CO 0.01 0.84 0.41 1.49 -1.00 0.00 0.00 179.01 180.75 2b95 h GLU 16 N 0.48 0.65 0.00 2.33 4.81 -0.25 -0.63 114.58 121.98 2b95 h GLU 16 Ca 0.09 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 2b95 h GLU 16 Cb 0.58 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2b95 h GLU 16 CO 0.03 0.43 -0.49 1.15 -0.73 0.00 0.00 179.01 179.41 2b95 h THR 17 N 0.67 0.85 -0.06 0.32 2.02 -1.31 -3.24 112.91 112.17 2b95 h THR 17 Ca 0.25 -2.17 -0.09 0.00 0.77 0.00 0.00 66.41 65.18 2b95 h THR 17 Cb 0.16 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2b95 h THR 17 CO -0.07 0.48 -0.32 -0.07 0.37 0.00 0.00 175.52 175.91 2b95 h LEU 18 N 0.00 0.38 -0.54 2.58 4.07 -0.16 -1.70 115.31 119.93 2b95 h LEU 18 Ca -0.00 -0.66 0.07 0.00 0.08 0.00 0.00 57.88 57.36 2b95 h LEU 18 Cb 1.36 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.93 2b95 h LEU 18 CO 0.06 0.98 0.23 0.11 -1.08 0.00 0.00 178.44 178.75 2b95 h LYS 19 N -0.20 0.43 -0.11 1.13 6.56 -1.31 0.22 116.57 123.29 2b95 h LYS 19 Ca -0.02 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 2b95 h LYS 19 Cb 0.98 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.54 2b95 h LYS 19 CO 0.07 0.29 -0.05 -0.09 -2.06 0.00 0.00 179.45 177.60 2b95 h ARG 20 N 0.44 0.23 -0.42 3.15 9.65 -1.62 -3.05 114.38 122.77 2b95 h ARG 20 Ca 0.26 -0.10 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 2b95 h ARG 20 Cb 0.24 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 2b95 h ARG 20 CO -0.23 0.58 0.19 -0.07 2.80 0.00 0.00 179.97 183.24 2b95 h LEU 21 N -0.12 0.25 -2.17 3.80 4.07 -0.94 -0.45 115.31 119.75 2b95 h LEU 21 Ca 0.03 0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.08 2b95 h LEU 21 Cb 0.51 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 2b95 h LEU 21 CO 0.02 0.18 0.25 -0.61 -1.08 0.00 0.00 178.44 177.19 2b95 h GLN 22 N 0.38 0.00 0.00 1.13 5.75 -0.58 0.24 115.11 122.03 2b95 h GLN 22 Ca 0.19 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.59 2b95 h GLN 22 Cb 0.13 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2b95 h GLN 22 CO -0.16 0.00 -0.64 1.03 -2.65 0.00 0.00 178.83 176.41 2b95 h SER 23 N 0.00 0.00 -3.59 -0.69 0.87 -0.99 -3.47 113.55 105.69 2b95 h SER 23 Ca 0.11 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.23 2b95 h SER 23 Cb 0.60 0.00 0.18 0.00 -0.44 0.00 0.00 62.40 62.74 2b95 h SER 23 CO -0.00 0.42 0.11 -1.10 -0.53 0.00 0.00 176.83 175.73 2b95 s GLN 24 N -3.01 -0.49 -0.62 2.24 -0.21 0.84 -5.00 119.66 113.40 2b95 s GLN 24 Ca 0.03 0.43 -0.02 0.00 0.02 0.00 0.00 55.36 55.81 2b95 s GLN 24 Cb 0.08 -1.64 0.16 0.00 1.00 0.00 0.00 33.01 32.61 2b95 s GLN 24 CO 0.75 -3.33 0.43 0.15 -2.12 0.00 0.00 175.29 171.17 2b95 s LYS 25 N -4.94 2.53 0.00 2.91 1.02 -1.26 -4.51 119.74 115.49 2b95 s LYS 25 Ca 0.67 -2.54 0.00 0.00 0.02 0.00 0.00 55.97 54.12 2b95 s LYS 25 Cb -0.18 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 2b95 s LYS 25 CO 0.59 -1.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 2b95 n GLY 26 N 3.45 0.25 3.67 -3.33 0.00 -1.26 -4.98 105.19 103.00 2b95 n GLY 26 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.79 -0.01 1.61 1.01 -1.26 -1.20 120.40 124.34 2b95 s VAL 27 Ca 0.00 1.05 0.06 0.00 0.00 0.00 0.00 61.98 63.10 2b95 s VAL 27 Cb 0.00 -3.68 -0.24 0.00 0.00 0.00 0.00 36.38 32.46 2b95 s VAL 27 CO 0.00 -0.06 0.80 1.56 0.00 0.00 0.00 175.10 177.40 2b95 h GLN 28 N 8.55 0.08 0.00 2.72 7.50 -0.84 -3.48 115.11 129.64 2b95 h GLN 28 Ca -0.36 -0.13 0.00 0.00 0.50 0.00 0.00 58.65 58.66 2b95 h GLN 28 Cb 1.16 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.74 2b95 h GLN 28 CO 0.94 0.79 0.00 0.41 -1.50 0.00 0.00 178.83 179.47 2b95 n GLY 29 N 1.58 3.62 3.55 3.46 0.00 -1.16 -4.89 105.19 111.34 2b95 n GLY 29 Ca -0.15 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.29 3.30 0.03 -0.61 1.09 -1.26 -1.97 121.20 120.48 2b95 s ILE 30 Ca 0.00 -1.10 0.05 0.00 -1.10 0.00 0.00 60.65 58.50 2b95 s ILE 30 Cb 0.00 -2.47 -0.02 0.00 -1.06 0.00 0.00 42.46 38.91 2b95 s ILE 30 CO 0.00 0.26 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.31 2b95 s ILE 31 N -1.07 1.21 -0.26 2.92 1.01 -0.01 -3.09 121.20 121.92 2b95 s ILE 31 Ca 0.18 -0.94 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 2b95 s ILE 31 Cb -0.11 -1.07 0.08 0.00 0.01 0.00 0.00 42.46 41.37 2b95 s ILE 31 CO 0.10 0.11 0.06 -0.69 0.00 0.00 0.00 174.94 174.52 2b95 s VAL 32 N -0.72 0.73 -0.04 2.92 1.01 0.99 -1.97 120.40 123.32 2b95 s VAL 32 Ca 0.04 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2b95 s VAL 32 Cb -0.07 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2b95 s VAL 32 CO 0.01 -0.44 -0.11 -0.69 0.00 0.00 0.00 175.10 173.87 2b95 s VAL 33 N 1.73 3.34 0.51 2.92 1.01 -1.16 -0.09 120.40 128.64 2b95 s VAL 33 Ca 0.04 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 2b95 s VAL 33 Cb -0.17 -2.35 0.12 0.00 0.00 0.00 0.00 36.38 33.98 2b95 s VAL 33 CO -0.17 0.55 0.47 0.59 0.00 0.00 0.00 175.10 176.53 2b95 n ASN 34 N 2.12 -1.33 0.27 3.32 3.02 -0.66 -0.02 115.26 121.98 2b95 n ASN 34 Ca -0.17 -0.82 0.14 0.00 -0.03 0.00 0.00 54.58 53.71 2b95 n ASN 34 Cb 0.52 -0.42 0.71 0.00 -0.61 0.00 0.00 39.78 39.98 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 -1.96 0.35 0.00 3.41 1.35 -1.29 -3.34 112.91 111.44 2b95 h THR 35 Ca -0.17 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 2b95 h THR 35 Cb 0.52 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2b95 h THR 35 CO 0.11 0.10 0.00 -0.62 -0.25 0.00 0.00 175.52 174.86 2b95 n GLU 36 N -3.37 0.00 0.00 4.72 1.02 -1.26 -5.02 120.64 116.73 2b95 n GLU 36 Ca -0.01 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2b95 n GLU 36 Cb 0.28 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 2b95 n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b95 n GLY 37 N 1.98 0.00 3.29 0.62 0.00 -1.25 -5.00 105.19 104.83 2b95 n GLY 37 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.37 -0.99 -0.61 1.01 -1.26 -4.89 121.20 117.82 2b95 s ILE 38 Ca 0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 60.65 59.75 2b95 s ILE 38 Cb 0.00 -2.62 -0.12 0.00 0.01 0.00 0.00 42.46 39.72 2b95 s ILE 38 CO 0.00 0.29 1.92 -0.81 0.00 0.00 0.00 174.94 176.34 2b95 n PRO 39 N 4.78 1.52 -0.29 2.79 -0.04 -1.26 -1.65 135.00 140.85 2b95 n PRO 39 Ca -0.17 -2.19 0.19 0.00 -0.04 0.00 0.00 63.50 61.29 2b95 n PRO 39 Cb 0.49 -3.39 0.47 0.00 -0.04 0.00 0.00 33.50 31.03 2b95 n PRO 39 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2b95 h ILE 40 N 5.48 0.64 -3.91 0.52 3.07 -0.86 -3.41 117.51 119.04 2b95 h ILE 40 Ca 0.30 -0.17 -0.33 0.00 1.55 0.00 0.00 64.86 66.21 2b95 h ILE 40 Cb 0.83 0.11 -0.28 0.00 -0.27 0.00 0.00 36.82 37.20 2b95 h ILE 40 CO 1.53 0.09 -0.76 -0.54 -1.05 0.00 0.00 178.15 177.43 2b95 s LYS 41 N -5.54 0.44 -0.24 0.16 -0.14 -1.00 -5.01 119.74 108.41 2b95 s LYS 41 Ca -0.09 -0.20 -0.27 0.00 -1.36 0.00 0.00 55.97 54.05 2b95 s LYS 41 Cb 0.24 -0.43 0.12 0.00 -1.68 0.00 0.00 37.83 36.08 2b95 s LYS 41 CO 0.79 0.12 0.99 0.45 -0.76 0.00 0.00 175.35 176.94 2b95 s SER 42 N -0.14 -0.46 -0.00 2.83 0.15 -1.26 -0.01 113.70 114.81 2b95 s SER 42 Ca 0.02 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2b95 s SER 42 Cb -0.02 0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2b95 s SER 42 CO -0.00 -0.23 0.01 0.35 1.20 0.00 0.00 173.24 174.56 2b95 n THR 43 N 1.80 0.00 -0.62 6.45 -2.24 -1.18 -5.05 114.28 113.44 2b95 n THR 43 Ca -0.12 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2b95 n THR 43 Cb 0.56 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 2b95 n THR 43 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2b95 n MET 44 N -1.04 -0.48 -1.20 -0.78 1.56 -1.26 -4.98 117.12 108.93 2b95 n MET 44 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.14 2b95 n MET 44 Cb 0.00 0.00 0.15 0.00 2.15 0.00 0.00 33.22 35.53 2b95 n MET 44 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2b95 s ASP 45 N -1.32 3.10 0.02 6.12 -1.08 -1.26 -4.83 116.67 117.42 2b95 s ASP 45 Ca 0.00 1.34 -0.27 0.00 -0.52 0.00 0.00 52.55 53.11 2b95 s ASP 45 Cb 0.00 -2.02 -0.16 0.00 -1.46 0.00 0.00 42.92 39.29 2b95 s ASP 45 CO 0.00 -2.85 1.20 -1.13 0.52 0.00 0.00 175.17 172.90 2b95 h ASN 46 N -1.70 -0.66 0.71 -0.34 -0.00 -1.99 -0.90 115.58 110.70 2b95 h ASN 46 Ca -0.52 -0.04 -0.06 0.00 -0.00 0.00 0.00 56.30 55.69 2b95 h ASN 46 Cb 1.30 0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 39.79 2b95 h ASN 46 CO 0.56 -0.30 -0.26 1.55 -0.00 0.00 0.00 177.43 178.98 2b95 h PRO 47 N -1.06 0.00 0.01 6.67 0.13 -2.00 -2.78 132.00 132.97 2b95 h PRO 47 Ca -0.08 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.83 2b95 h PRO 47 Cb 0.65 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.78 2b95 h PRO 47 CO 0.13 0.26 -0.95 1.15 -0.23 0.00 0.00 178.00 178.36 2b95 h THR 48 N 0.00 1.44 0.01 1.56 2.02 -1.93 -2.99 112.91 113.02 2b95 h THR 48 Ca -0.00 -2.56 -0.00 0.00 0.77 0.00 0.00 66.41 64.61 2b95 h THR 48 Cb 0.69 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 2b95 h THR 48 CO 0.03 0.76 -0.01 0.74 0.37 0.00 0.00 175.52 177.42 2b95 h THR 49 N 0.18 1.40 -0.62 3.16 2.02 -1.01 -2.30 112.91 115.74 2b95 h THR 49 Ca -0.07 -1.25 0.08 0.00 0.77 0.00 0.00 66.41 65.94 2b95 h THR 49 Cb 1.59 2.24 -0.07 0.00 -1.74 0.00 0.00 68.15 70.18 2b95 h THR 49 CO 0.16 0.32 0.28 0.74 0.37 0.00 0.00 175.52 177.38 2b95 h THR 50 N -0.55 0.84 -0.08 3.16 2.02 -1.60 0.20 112.91 116.89 2b95 h THR 50 Ca -0.00 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2b95 h THR 50 Cb 0.54 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2b95 h THR 50 CO 0.00 0.09 0.04 -0.61 0.37 0.00 0.00 175.52 175.41 2b95 h GLN 51 N 0.49 0.12 0.19 6.66 -0.00 -1.57 -1.49 115.11 119.51 2b95 h GLN 51 Ca 0.30 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.92 2b95 h GLN 51 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.78 2b95 h GLN 51 CO -0.26 0.20 -0.09 1.88 0.00 0.00 0.00 178.83 180.56 2b95 h TYR 52 N 0.01 -0.23 -0.00 3.99 -1.99 -0.88 -1.67 116.97 116.19 2b95 h TYR 52 Ca 0.03 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2b95 h TYR 52 Cb 0.12 0.08 -0.00 0.00 2.00 0.00 0.00 36.73 38.93 2b95 h TYR 52 CO -0.03 -0.13 0.02 0.00 -0.00 0.00 0.00 178.16 178.02 2b95 h ALA 53 N 0.55 1.05 0.12 3.88 0.00 -0.58 0.25 119.26 124.54 2b95 h ALA 53 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2b95 h ALA 53 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2b95 h ALA 53 CO 0.04 -0.02 -0.06 0.77 0.00 0.00 0.00 179.25 179.98 2b95 h SER 54 N 0.00 -0.14 1.15 0.00 0.02 -0.35 -3.30 113.55 110.92 2b95 h SER 54 Ca 0.00 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2b95 h SER 54 Cb 0.05 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2b95 h SER 54 CO -0.00 0.46 0.00 0.17 -1.14 0.00 0.00 176.83 176.32 2b95 h LEU 55 N -0.97 0.00 0.46 5.07 8.10 -1.08 -3.24 115.31 123.65 2b95 h LEU 55 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.96 2b95 h LEU 55 Cb 0.44 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.63 2b95 h LEU 55 CO 0.03 0.00 -0.51 -0.03 -4.11 0.00 0.00 178.44 173.82 2b95 h MET 56 N 0.00 -0.94 -0.18 0.17 4.05 -0.58 0.25 114.93 117.69 2b95 h MET 56 Ca 0.00 0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 2b95 h MET 56 Cb 0.57 0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 2b95 h MET 56 CO 0.00 -0.63 -0.02 1.25 0.23 0.00 0.00 176.91 177.74 2b95 h HIS 57 N -0.98 0.37 -0.23 1.39 -0.00 -1.69 -2.71 115.15 111.30 2b95 h HIS 57 Ca -0.06 -0.07 0.07 0.00 -0.00 0.00 0.00 60.37 60.31 2b95 h HIS 57 Cb 0.86 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 2b95 h HIS 57 CO -0.28 0.57 0.25 1.03 -0.00 0.00 0.00 177.93 179.50 2b95 h SER 58 N 0.06 0.00 0.21 3.26 0.87 -1.56 -1.13 113.55 115.26 2b95 h SER 58 Ca 0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2b95 h SER 58 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2b95 h SER 58 CO 0.01 0.00 -0.10 0.15 -0.53 0.00 0.00 176.83 176.36 2b95 h PHE 59 N 0.00 -0.27 -0.88 2.24 3.57 -0.20 -2.92 116.94 118.49 2b95 h PHE 59 Ca 0.11 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.69 2b95 h PHE 59 Cb 0.61 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 2b95 h PHE 59 CO 0.00 0.04 0.57 0.82 -2.23 0.00 0.00 178.31 177.51 2b95 h ILE 60 N -0.99 0.99 0.00 1.41 1.08 -1.23 0.85 117.51 119.62 2b95 h ILE 60 Ca -0.03 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 2b95 h ILE 60 Cb 0.43 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 2b95 h ILE 60 CO 0.05 0.16 -0.13 -0.07 -0.69 0.00 0.00 178.15 177.47 2b95 h LEU 61 N 0.90 0.00 0.05 1.44 4.07 -1.31 0.92 115.31 121.39 2b95 h LEU 61 Ca 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.36 2b95 h LEU 61 Cb 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2b95 h LEU 61 CO -0.16 0.13 -0.02 0.11 -1.08 0.00 0.00 178.44 177.42 2b95 h LYS 62 N 0.00 -0.06 -0.29 1.13 6.56 -0.64 -3.14 116.57 120.13 2b95 h LYS 62 Ca -0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 2b95 h LYS 62 Cb 0.40 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.07 2b95 h LYS 62 CO 0.02 0.54 -0.02 0.00 -2.06 0.00 0.00 179.45 177.93 2b95 h ALA 63 N -0.23 0.39 -0.54 3.86 0.00 -1.33 -2.73 119.26 118.69 2b95 h ALA 63 Ca -0.01 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.82 2b95 h ALA 63 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2b95 h ALA 63 CO 0.01 0.16 0.42 -0.09 0.00 0.00 0.00 179.25 179.75 2b95 h ARG 64 N 0.31 0.00 0.00 0.00 2.43 -0.96 0.34 114.38 116.49 2b95 h ARG 64 Ca 0.08 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.06 2b95 h ARG 64 Cb 0.46 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2b95 h ARG 64 CO 0.02 0.00 -0.90 1.03 -1.51 0.00 0.00 179.97 178.61 2b95 h SER 65 N 0.00 0.00 0.51 -3.80 0.87 -1.43 -3.30 113.55 106.40 2b95 h SER 65 Ca 0.25 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.52 2b95 h SER 65 Cb 1.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2b95 h SER 65 CO -0.00 0.90 -1.44 0.74 -0.53 0.00 0.00 176.83 176.49 2b95 h THR 66 N 0.00 1.26 -0.96 2.23 2.02 -0.32 -3.32 112.91 113.81 2b95 h THR 66 Ca -0.01 -2.88 0.19 0.00 0.77 0.00 0.00 66.41 64.49 2b95 h THR 66 Cb 1.63 2.81 -0.09 0.00 -1.74 0.00 0.00 68.15 70.76 2b95 h THR 66 CO 0.12 0.83 0.61 0.58 0.37 0.00 0.00 175.52 178.03 2b95 h VAL 67 N 0.07 0.71 -0.51 3.16 2.07 -0.64 0.24 116.25 121.34 2b95 h VAL 67 Ca -0.21 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.25 2b95 h VAL 67 Cb 2.00 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2b95 h VAL 67 CO 0.17 0.11 0.43 0.03 0.02 0.00 0.00 177.57 178.34 2b95 h ARG 68 N 0.62 0.00 0.08 1.57 3.08 -1.66 0.15 114.38 118.21 2b95 h ARG 68 Ca 0.53 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.32 2b95 h ARG 68 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2b95 h ARG 68 CO -0.28 0.00 -1.11 0.22 -1.07 0.00 0.00 179.97 177.73 2b95 h ASP 69 N 0.00 0.44 -0.78 7.04 1.82 -0.73 -3.29 116.42 120.91 2b95 h ASP 69 Ca 0.24 -0.42 0.04 0.00 -0.39 0.00 0.00 57.03 56.50 2b95 h ASP 69 Cb 1.10 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 40.92 2b95 h ASP 69 CO -0.00 1.28 0.49 0.40 -1.61 0.00 0.00 179.24 179.80 2b95 h ILE 70 N 0.12 1.09 -3.16 2.25 2.04 -0.65 -3.45 117.51 115.75 2b95 h ILE 70 Ca -0.11 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.40 2b95 h ILE 70 Cb 1.80 0.06 -0.12 0.00 -0.74 0.00 0.00 36.82 37.83 2b95 h ILE 70 CO 0.18 0.17 0.09 -1.81 0.00 0.00 0.00 178.15 176.79 2b95 s ASP 71 N -5.79 -0.42 0.00 1.72 1.11 -1.09 -5.07 116.67 107.13 2b95 s ASP 71 Ca -0.13 -0.16 -0.24 0.00 0.18 0.00 0.00 52.55 52.21 2b95 s ASP 71 Cb 0.17 0.55 -0.18 0.00 1.07 0.00 0.00 42.92 44.53 2b95 s ASP 71 CO 0.78 -0.94 1.30 1.55 1.18 0.00 0.00 175.17 179.04 2b95 h PRO 72 N 2.15 0.14 -5.17 8.23 0.13 -1.88 -3.41 132.00 132.19 2b95 h PRO 72 Ca -0.33 -0.08 -0.67 0.00 -0.87 0.00 0.00 66.00 64.05 2b95 h PRO 72 Cb 1.29 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.10 2b95 h PRO 72 CO 0.41 0.59 -0.83 -0.65 -0.23 0.00 0.00 178.00 177.28 2b95 s GLN 73 N -4.28 3.12 -0.02 0.86 -0.21 -1.26 -5.02 119.66 112.84 2b95 s GLN 73 Ca -0.15 -0.79 -0.12 0.00 0.02 0.00 0.00 55.36 54.31 2b95 s GLN 73 Cb 0.03 -2.56 0.04 0.00 1.00 0.00 0.00 33.01 31.52 2b95 s GLN 73 CO 0.71 -0.04 0.53 -1.71 -2.12 0.00 0.00 175.29 172.66 2b95 n ASN 74 N 4.17 -0.45 -3.24 5.90 5.15 -1.26 -5.16 115.26 120.37 2b95 n ASN 74 Ca -0.20 -1.06 0.04 0.00 -0.60 0.00 0.00 54.58 52.76 2b95 n ASN 74 Cb 0.51 0.70 -0.03 0.00 -0.53 0.00 0.00 39.78 40.43 2b95 n ASN 74 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2b95 s ASP 75 N -2.17 -0.30 0.51 1.20 -1.08 -1.26 -5.10 116.67 108.47 2b95 s ASP 75 Ca 0.13 0.34 -0.22 0.00 -0.52 0.00 0.00 52.55 52.27 2b95 s ASP 75 Cb -0.00 1.31 -0.06 0.00 -1.46 0.00 0.00 42.92 42.71 2b95 s ASP 75 CO -0.01 -0.06 1.29 -0.22 0.52 0.00 0.00 175.17 176.70 2b95 s LEU 76 N 2.45 3.93 0.00 -1.34 1.98 -1.26 -4.93 118.68 119.51 2b95 s LEU 76 Ca -0.02 2.60 0.00 0.00 -2.89 0.00 0.00 54.13 53.83 2b95 s LEU 76 Cb -0.05 -4.24 0.00 0.00 0.66 0.00 0.00 46.19 42.56 2b95 s LEU 76 CO -0.15 -1.30 0.68 1.07 -1.89 0.00 0.00 176.35 174.76 2b95 n THR 77 N -0.76 0.00 -3.61 3.68 5.66 -1.26 -4.77 114.28 113.22 2b95 n THR 77 Ca 0.09 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.08 2b95 n THR 77 Cb 0.46 0.41 -0.06 0.00 -1.55 0.00 0.00 70.33 69.59 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 -0.45 -0.30 1.09 2.19 -1.26 -4.65 117.98 114.60 2b95 s PHE 78 Ca 0.00 0.89 -0.01 0.00 0.33 0.00 0.00 56.93 58.13 2b95 s PHE 78 Cb 0.00 0.27 0.10 0.00 -1.31 0.00 0.00 43.02 42.08 2b95 s PHE 78 CO 0.00 -0.22 0.09 -0.51 1.83 0.00 0.00 175.22 176.41 2b95 s LEU 79 N 1.41 1.96 -0.09 6.12 1.02 0.87 -4.98 118.68 124.98 2b95 s LEU 79 Ca -0.08 -1.53 -0.10 0.00 0.02 0.00 0.00 54.13 52.45 2b95 s LEU 79 Cb -0.03 -0.79 -0.05 0.00 0.02 0.00 0.00 46.19 45.34 2b95 s LEU 79 CO -0.14 -0.41 0.23 -0.13 0.02 0.00 0.00 176.35 175.92 2b95 s ARG 80 N 1.69 3.66 -0.36 1.70 1.81 -1.26 -1.84 118.95 124.36 2b95 s ARG 80 Ca 0.09 0.04 0.02 0.00 -1.72 0.00 0.00 55.73 54.15 2b95 s ARG 80 Cb -0.17 -3.22 0.15 0.00 -0.45 0.00 0.00 34.95 31.25 2b95 s ARG 80 CO -0.25 0.70 0.30 0.42 -0.68 0.00 0.00 175.30 175.79 2b95 s ILE 81 N -0.89 -0.14 -0.00 1.52 1.01 -1.12 -5.04 121.20 116.54 2b95 s ILE 81 Ca 0.17 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 2b95 s ILE 81 Cb -0.13 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 2b95 s ILE 81 CO 0.06 -0.74 1.01 -0.60 0.00 0.00 0.00 174.94 174.67 2b95 s ARG 82 N 1.35 4.53 0.01 2.79 3.00 -1.26 -1.89 118.95 127.49 2b95 s ARG 82 Ca 0.17 1.46 0.00 0.00 -1.00 0.00 0.00 55.73 56.36 2b95 s ARG 82 Cb -0.18 -3.45 0.00 0.00 0.00 0.00 0.00 34.95 31.31 2b95 s ARG 82 CO -0.04 -0.10 0.00 0.43 0.00 0.00 0.00 175.30 175.59 2b95 n SER 83 N 4.01 1.94 0.03 -2.12 7.64 -0.93 -4.99 113.62 119.19 2b95 n SER 83 Ca 0.07 -1.06 -0.06 0.00 1.01 0.00 0.00 58.87 58.83 2b95 n SER 83 Cb 0.50 0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.15 1.43 1.57 -2.03 -3.37 116.57 114.31 2b95 h LYS 84 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.44 2b95 h LYS 84 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2b95 h LYS 84 CO 0.02 0.60 -1.65 0.87 -0.57 0.00 0.00 179.45 178.72 2b95 h LYS 85 N 0.00 0.31 -1.52 3.15 1.57 -2.00 -3.50 116.57 114.57 2b95 h LYS 85 Ca -0.16 -0.53 0.33 0.00 -1.87 0.00 0.00 60.65 58.43 2b95 h LYS 85 Cb 1.81 0.20 -0.11 0.00 0.08 0.00 0.00 32.23 34.20 2b95 h LYS 85 CO 0.09 1.25 0.84 0.54 -0.57 0.00 0.00 179.45 181.60 2b95 s ASN 86 N -7.15 -0.05 -0.00 0.86 2.20 -1.26 -4.85 114.94 104.70 2b95 s ASN 86 Ca -0.19 -0.15 -0.12 0.00 -0.94 0.00 0.00 52.86 51.47 2b95 s ASN 86 Cb 0.05 0.16 -0.05 0.00 -2.00 0.00 0.00 41.25 39.41 2b95 s ASN 86 CO 0.80 -0.30 0.35 -1.83 -2.94 0.00 0.00 177.10 173.19 2b95 s GLU 87 N -2.35 3.78 -0.33 3.55 -1.05 -0.30 -2.19 118.70 119.81 2b95 s GLU 87 Ca 0.16 0.24 0.02 0.00 -0.15 0.00 0.00 54.97 55.24 2b95 s GLU 87 Cb 0.04 -3.15 0.09 0.00 -0.44 0.00 0.00 34.13 30.67 2b95 s GLU 87 CO -0.03 0.67 0.03 0.42 0.95 0.00 0.00 175.26 177.30 2b95 s ILE 88 N -1.16 2.47 -0.16 1.83 1.01 -0.79 -2.60 121.20 121.80 2b95 s ILE 88 Ca 0.25 -2.05 -0.17 0.00 0.00 0.00 0.00 60.65 58.68 2b95 s ILE 88 Cb -0.15 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2b95 s ILE 88 CO 0.13 -0.44 0.43 -0.04 0.00 0.00 0.00 174.94 175.03 2b95 s MET 89 N 1.02 4.26 -0.10 2.79 -1.94 -1.12 -2.79 119.30 121.41 2b95 s MET 89 Ca 0.04 0.32 -0.09 0.00 -1.71 0.00 0.00 55.69 54.26 2b95 s MET 89 Cb -0.20 -3.48 0.03 0.00 2.01 0.00 0.00 34.83 33.18 2b95 s MET 89 CO -0.06 0.06 0.25 0.08 -0.01 0.00 0.00 175.02 175.35 2b95 s VAL 90 N 0.97 -0.00 0.14 -6.03 1.01 -0.76 -2.13 120.40 113.59 2b95 s VAL 90 Ca 0.22 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 2b95 s VAL 90 Cb -0.15 -0.36 0.05 0.00 0.00 0.00 0.00 36.38 35.92 2b95 s VAL 90 CO 0.08 0.00 0.51 0.00 0.00 0.00 0.00 175.10 175.70 2b95 s ALA 91 N 0.19 -1.30 0.06 5.51 0.00 -1.22 -0.09 121.76 124.92 2b95 s ALA 91 Ca -0.00 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.92 2b95 s ALA 91 Cb -0.02 0.77 -0.07 0.00 0.00 0.00 0.00 23.12 23.80 2b95 s ALA 91 CO -0.00 -0.70 1.40 -1.25 0.00 0.00 0.00 175.76 175.21 2b95 s PRO 92 N -3.67 4.30 0.00 0.00 0.04 -1.26 -3.58 135.00 130.84 2b95 s PRO 92 Ca 0.01 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2b95 s PRO 92 Cb 0.00 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2b95 s PRO 92 CO -0.12 -0.50 0.00 -3.47 0.04 0.00 0.00 177.00 172.95 2b95 n ASP 93 N 4.63 0.70 -0.09 6.66 -0.08 -0.40 -4.98 116.55 122.98 2b95 n ASP 93 Ca 0.12 -0.90 -0.07 0.00 -1.51 0.00 0.00 54.79 52.44 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 1.79 -2.02 -3.37 116.57 112.13 2b95 h LYS 94 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2b95 h LYS 94 Cb 0.00 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2b95 h LYS 94 CO 0.00 -0.11 -0.15 -0.40 -1.08 0.00 0.00 179.45 177.71 2b95 n ASP 95 N -5.38 0.00 -3.64 0.86 5.75 -1.26 -5.11 116.55 107.77 2b95 n ASP 95 Ca 0.01 -1.30 -0.14 0.00 -0.01 0.00 0.00 54.79 53.35 2b95 n ASP 95 Cb 0.29 -0.06 -0.07 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 1.11 -0.25 2.11 1.13 -1.26 -0.74 117.35 119.45 2b95 s TYR 96 Ca 0.00 -1.29 0.01 0.00 -1.41 0.00 0.00 57.07 54.38 2b95 s TYR 96 Cb 0.00 -0.28 0.05 0.00 -1.10 0.00 0.00 41.96 40.62 2b95 s TYR 96 CO 0.00 -0.93 -0.11 -0.06 -2.51 0.00 0.00 175.55 171.94 2b95 s PHE 97 N -3.58 3.14 0.07 -3.49 0.08 0.97 -1.27 117.98 113.89 2b95 s PHE 97 Ca 0.33 -2.02 -0.24 0.00 0.12 0.00 0.00 56.93 55.12 2b95 s PHE 97 Cb 0.02 -1.97 -0.06 0.00 -0.57 0.00 0.00 43.02 40.44 2b95 s PHE 97 CO 0.18 -0.84 0.74 -1.17 -0.10 0.00 0.00 175.22 174.03 2b95 s LEU 98 N 1.19 4.49 -0.26 -0.37 0.20 -1.23 -3.00 118.68 119.70 2b95 s LEU 98 Ca -0.04 1.46 -0.03 0.00 0.69 0.00 0.00 54.13 56.20 2b95 s LEU 98 Cb -0.18 -3.19 0.09 0.00 -0.43 0.00 0.00 46.19 42.47 2b95 s LEU 98 CO -0.06 0.09 0.10 -0.63 -0.29 0.00 0.00 176.35 175.57 2b95 s ILE 99 N -0.44 0.20 -0.32 6.68 1.09 -0.83 -3.43 121.20 124.16 2b95 s ILE 99 Ca 0.36 -0.77 -0.07 0.00 -1.10 0.00 0.00 60.65 59.07 2b95 s ILE 99 Cb -0.21 -1.06 0.02 0.00 -1.06 0.00 0.00 42.46 40.15 2b95 s ILE 99 CO 0.23 -0.58 0.10 0.68 -0.10 0.00 0.00 174.94 175.27 2b95 s VAL 100 N 1.97 3.97 -0.13 2.92 -7.23 -0.91 -0.82 120.40 120.18 2b95 s VAL 100 Ca 0.07 -0.84 -0.07 0.00 -1.81 0.00 0.00 61.98 59.33 2b95 s VAL 100 Cb -0.16 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 2b95 s VAL 100 CO -0.26 -0.03 0.11 -0.63 -0.31 0.00 0.00 175.10 173.98 2b95 s ILE 101 N 1.48 5.26 0.11 -0.62 1.01 -0.83 -2.80 121.20 124.79 2b95 s ILE 101 Ca 0.01 0.12 -0.26 0.00 0.00 0.00 0.00 60.65 60.52 2b95 s ILE 101 Cb -0.18 -3.30 0.08 0.00 0.01 0.00 0.00 42.46 39.06 2b95 s ILE 101 CO 0.03 0.58 1.01 0.00 0.00 0.00 0.00 174.94 176.56 2b95 s GLN 102 N -0.71 1.02 0.97 2.79 -2.07 -1.07 -0.08 119.66 120.51 2b95 s GLN 102 Ca 0.13 -0.55 -0.13 0.00 -1.82 0.00 0.00 55.36 52.99 2b95 s GLN 102 Cb -0.12 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.20 2b95 s GLN 102 CO 0.03 -0.47 0.32 0.09 -1.32 0.00 0.00 175.29 173.94 2b95 n ASN 103 N -0.45 -2.28 -4.77 12.60 3.02 -0.34 -1.15 115.26 121.89 2b95 n ASN 103 Ca -0.07 0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.41 2b95 n ASN 103 Cb 0.61 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 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 -3.55 3.38 -0.13 3.52 0.04 -1.26 -4.49 135.00 132.50 2b95 s PRO 104 Ca 0.56 1.61 0.06 0.00 0.04 0.00 0.00 61.00 63.27 2b95 s PRO 104 Cb -0.20 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 2b95 s PRO 104 CO 0.68 -0.83 -0.04 0.25 0.04 0.00 0.00 177.00 177.10 2b95 n THR 105 N -1.27 0.79 0.00 1.26 -2.24 -1.26 -5.06 114.28 106.51 2b95 n THR 105 Ca 0.11 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 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