#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 -0.23 3.04 0.00 -2.05 -1.32 119.26 120.28 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 17.64 2b95 h ALA 12 CO 0.00 -0.02 -0.17 0.93 0.00 0.00 0.00 179.25 179.99 2b95 h GLU 13 N 0.77 -0.16 -0.68 0.00 5.08 -2.06 0.11 114.58 117.65 2b95 h GLU 13 Ca 0.55 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.87 2b95 h GLU 13 Cb 0.82 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2b95 h GLU 13 CO -0.37 -0.11 0.22 0.28 -1.00 0.00 0.00 179.01 178.03 2b95 h VAL 14 N -0.16 1.25 -0.28 3.13 2.07 -1.72 -2.87 116.25 117.67 2b95 h VAL 14 Ca 0.13 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2b95 h VAL 14 Cb 0.37 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2b95 h VAL 14 CO -0.33 0.33 0.16 -0.33 0.02 0.00 0.00 177.57 177.41 2b95 h GLU 15 N 1.00 0.39 -0.91 1.57 5.08 -0.42 0.19 114.58 121.47 2b95 h GLU 15 Ca 0.22 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 2b95 h GLU 15 Cb 0.27 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 2b95 h GLU 15 CO -0.01 0.34 0.55 1.49 -1.00 0.00 0.00 179.01 180.38 2b95 h GLU 16 N 0.34 0.86 0.00 2.33 4.81 -0.62 0.98 114.58 123.29 2b95 h GLU 16 Ca 0.10 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 2b95 h GLU 16 Cb 0.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2b95 h GLU 16 CO -0.02 0.57 -0.47 1.15 -0.73 0.00 0.00 179.01 179.51 2b95 h THR 17 N 0.89 0.83 -0.16 0.32 2.02 -1.26 -3.25 112.91 112.30 2b95 h THR 17 Ca 0.45 -2.11 -0.21 0.00 0.77 0.00 0.00 66.41 65.31 2b95 h THR 17 Cb 0.43 2.36 0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2b95 h THR 17 CO -0.26 0.46 -0.72 -0.07 0.37 0.00 0.00 175.52 175.31 2b95 h LEU 18 N 0.00 0.91 -0.41 2.58 4.07 0.11 -2.20 115.31 120.37 2b95 h LEU 18 Ca -0.00 -0.62 0.02 0.00 0.08 0.00 0.00 57.88 57.35 2b95 h LEU 18 Cb 1.32 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.77 2b95 h LEU 18 CO 0.06 1.38 0.25 0.11 -1.08 0.00 0.00 178.44 179.16 2b95 h LYS 19 N 0.49 0.48 -0.07 1.13 1.79 -0.94 0.20 116.57 119.65 2b95 h LYS 19 Ca -0.04 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.29 2b95 h LYS 19 Cb 1.35 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 2b95 h LYS 19 CO 0.15 0.32 -0.44 -0.09 -1.08 0.00 0.00 179.45 178.30 2b95 h ARG 20 N 0.50 0.16 0.25 3.15 9.65 -1.60 -1.51 114.38 124.99 2b95 h ARG 20 Ca 0.16 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 2b95 h ARG 20 Cb -0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2b95 h ARG 20 CO -0.07 0.58 -0.12 -0.07 2.80 0.00 0.00 179.97 183.09 2b95 h LEU 21 N 0.13 -0.29 -2.34 3.80 4.07 -0.77 -2.56 115.31 117.36 2b95 h LEU 21 Ca 0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 2b95 h LEU 21 Cb 0.84 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.66 2b95 h LEU 21 CO 0.07 0.20 -0.03 -0.61 -1.08 0.00 0.00 178.44 176.98 2b95 h GLN 22 N -0.90 0.00 0.00 1.13 4.15 -0.66 -1.01 115.11 117.81 2b95 h GLN 22 Ca -0.03 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2b95 h GLN 22 Cb 0.50 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 2b95 h GLN 22 CO 0.06 0.03 -0.21 1.03 -1.93 0.00 0.00 178.83 177.80 2b95 h SER 23 N 0.00 0.00 -1.57 -0.69 0.87 -1.24 -3.46 113.55 107.46 2b95 h SER 23 Ca -0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 2b95 h SER 23 Cb 0.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2b95 h SER 23 CO 0.00 0.15 -0.33 0.00 -0.53 0.00 0.00 176.83 176.12 2b95 s GLN 24 N -3.14 2.78 0.56 2.24 -2.07 -0.38 -5.07 119.66 114.57 2b95 s GLN 24 Ca 0.06 -1.30 -0.05 0.00 -1.82 0.00 0.00 55.36 52.25 2b95 s GLN 24 Cb 0.06 -2.62 0.01 0.00 -1.09 0.00 0.00 33.01 29.37 2b95 s GLN 24 CO 0.70 -0.15 0.85 0.21 -1.32 0.00 0.00 175.29 175.59 2b95 s LYS 25 N -4.21 2.96 0.00 9.60 2.36 -1.26 -4.35 119.74 124.84 2b95 s LYS 25 Ca 0.49 -0.10 0.00 0.00 -2.55 0.00 0.00 55.97 53.82 2b95 s LYS 25 Cb -0.07 -2.33 0.00 0.00 -1.05 0.00 0.00 37.83 34.38 2b95 s LYS 25 CO 0.30 -0.60 0.00 0.41 1.55 0.00 0.00 175.35 177.01 2b95 n GLY 26 N -2.48 2.71 3.59 5.54 0.00 -1.26 -4.99 105.19 108.30 2b95 n GLY 26 Ca 0.04 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 2.35 -0.01 1.61 0.31 -1.26 -2.25 118.33 119.07 2b95 n VAL 27 Ca 0.00 -0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 63.82 2b95 n VAL 27 Cb 0.00 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 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 0.23 3.17 0.00 5.55 6.02 0.84 -4.90 117.38 128.28 2b95 n GLN 28 Ca 0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2b95 n GLN 28 Cb 0.39 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.56 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 2.75 3.46 3.20 1.08 0.00 -1.14 -4.84 105.19 109.70 2b95 n GLY 29 Ca -0.05 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2b95 n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b95 s ILE 30 N -0.66 2.64 0.02 -0.61 1.09 -1.26 -2.88 121.20 119.54 2b95 s ILE 30 Ca 0.00 -0.82 0.04 0.00 -1.10 0.00 0.00 60.65 58.77 2b95 s ILE 30 Cb 0.00 -2.19 -0.03 0.00 -1.06 0.00 0.00 42.46 39.17 2b95 s ILE 30 CO 0.00 0.43 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.55 2b95 s ILE 31 N 1.35 3.50 -0.20 2.92 1.09 -1.15 -3.63 121.20 125.08 2b95 s ILE 31 Ca 0.04 -0.90 0.00 0.00 -1.10 0.00 0.00 60.65 58.69 2b95 s ILE 31 Cb -0.14 -2.53 0.05 0.00 -1.06 0.00 0.00 42.46 38.78 2b95 s ILE 31 CO -0.08 0.34 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.35 2b95 s VAL 32 N -1.02 1.37 -0.05 2.92 1.01 -1.10 -2.45 120.40 121.07 2b95 s VAL 32 Ca 0.18 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2b95 s VAL 32 Cb -0.11 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2b95 s VAL 32 CO 0.08 0.02 -0.10 -0.69 0.00 0.00 0.00 175.10 174.40 2b95 s VAL 33 N 1.49 3.39 0.00 2.92 1.01 -1.21 -0.37 120.40 127.63 2b95 s VAL 33 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2b95 s VAL 33 Cb -0.17 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2b95 s VAL 33 CO -0.07 0.58 0.00 0.59 0.00 0.00 0.00 175.10 176.20 2b95 n ASN 34 N 2.22 0.00 0.20 3.32 3.02 -0.93 -0.06 115.26 123.02 2b95 n ASN 34 Ca -0.17 -0.98 0.07 0.00 -0.03 0.00 0.00 54.58 53.47 2b95 n ASN 34 Cb 0.53 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 40.01 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 -0.95 0.65 0.12 3.41 1.35 -1.88 -3.14 112.91 112.48 2b95 h THR 35 Ca 0.00 -1.46 -0.27 0.00 -0.55 0.00 0.00 66.41 64.13 2b95 h THR 35 Cb 0.00 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2b95 h THR 35 CO 0.00 0.30 -1.25 -0.33 -0.25 0.00 0.00 175.52 173.99 2b95 h GLU 36 N 0.00 0.25 0.00 4.72 5.08 -1.93 -3.48 114.58 119.23 2b95 h GLU 36 Ca -0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2b95 h GLU 36 Cb 0.95 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2b95 h GLU 36 CO 0.04 1.19 0.00 0.41 -1.00 0.00 0.00 179.01 179.65 2b95 n GLY 37 N 1.53 1.94 3.53 -3.84 0.00 -1.19 -5.11 105.19 102.06 2b95 n GLY 37 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.96 5.22 -1.11 -0.61 1.01 -1.26 -4.83 121.20 117.65 2b95 s ILE 38 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 2b95 s ILE 38 Cb 0.00 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 2b95 s ILE 38 CO 0.00 -0.08 1.93 -0.81 0.00 0.00 0.00 174.94 175.98 2b95 n PRO 39 N 5.27 1.57 -0.30 2.79 -0.04 -1.26 -2.19 135.00 140.85 2b95 n PRO 39 Ca -0.11 -2.36 0.22 0.00 -0.04 0.00 0.00 63.50 61.21 2b95 n PRO 39 Cb 0.49 -3.59 0.52 0.00 -0.04 0.00 0.00 33.50 30.88 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 5.88 0.57 -4.19 0.52 3.07 -1.07 -3.39 117.51 118.89 2b95 h ILE 40 Ca 0.25 -0.13 -0.69 0.00 1.55 0.00 0.00 64.86 65.84 2b95 h ILE 40 Cb 0.89 0.15 -0.25 0.00 -0.27 0.00 0.00 36.82 37.34 2b95 h ILE 40 CO 1.35 0.07 -0.81 -0.75 -1.05 0.00 0.00 178.15 176.96 2b95 s LYS 41 N -5.45 2.34 -0.26 0.16 2.36 -1.06 -4.98 119.74 112.85 2b95 s LYS 41 Ca -0.08 -0.80 -0.01 0.00 -2.55 0.00 0.00 55.97 52.53 2b95 s LYS 41 Cb 0.24 -2.26 0.13 0.00 -1.05 0.00 0.00 37.83 34.90 2b95 s LYS 41 CO 0.79 0.60 0.33 0.45 1.55 0.00 0.00 175.35 179.07 2b95 s SER 42 N -0.78 0.92 0.00 1.43 0.15 -1.26 -2.72 113.70 111.44 2b95 s SER 42 Ca 0.11 -0.28 0.16 0.00 0.70 0.00 0.00 55.95 56.65 2b95 s SER 42 Cb -0.10 0.80 -0.09 0.00 -1.71 0.00 0.00 66.02 64.91 2b95 s SER 42 CO 0.01 -0.34 0.78 0.35 1.20 0.00 0.00 173.24 175.23 2b95 n THR 43 N 5.34 0.00 -3.05 6.45 -2.24 -1.24 -4.99 114.28 114.55 2b95 n THR 43 Ca -0.03 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2b95 n THR 43 Cb 0.49 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 -0.74 1.45 -1.53 -0.78 1.56 -1.26 -4.86 117.12 110.95 2b95 n MET 44 Ca 0.05 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.13 2b95 n MET 44 Cb 0.30 0.00 0.08 0.00 2.15 0.00 0.00 33.22 35.75 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 -0.95 4.34 0.08 6.12 1.11 -1.26 -4.77 116.67 121.35 2b95 s ASP 45 Ca 0.00 2.40 -0.33 0.00 0.18 0.00 0.00 52.55 54.80 2b95 s ASP 45 Cb 0.00 -2.59 -0.16 0.00 1.07 0.00 0.00 42.92 41.23 2b95 s ASP 45 CO 0.00 -2.17 1.60 -1.13 1.18 0.00 0.00 175.17 174.66 2b95 h ASN 46 N -0.06 -1.00 0.73 0.27 -0.00 -1.98 0.25 115.58 113.79 2b95 h ASN 46 Ca -0.48 0.07 -0.05 0.00 -0.00 0.00 0.00 56.30 55.83 2b95 h ASN 46 Cb 1.30 0.31 -0.01 0.00 -0.00 0.00 0.00 38.32 39.92 2b95 h ASN 46 CO 0.51 -0.58 -0.24 1.55 -0.00 0.00 0.00 177.43 178.66 2b95 h PRO 47 N -0.91 0.00 0.02 6.67 0.13 -2.00 -2.88 132.00 133.02 2b95 h PRO 47 Ca -0.06 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.80 2b95 h PRO 47 Cb 0.76 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.91 2b95 h PRO 47 CO 0.03 0.24 -1.07 1.15 -0.23 0.00 0.00 178.00 178.13 2b95 h THR 48 N 0.00 1.29 0.08 1.56 2.02 -1.86 -2.93 112.91 113.08 2b95 h THR 48 Ca -0.00 -2.29 -0.00 0.00 0.77 0.00 0.00 66.41 64.88 2b95 h THR 48 Cb 0.67 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2b95 h THR 48 CO 0.03 0.71 -0.04 0.74 0.37 0.00 0.00 175.52 177.33 2b95 h THR 49 N 0.37 1.07 -0.61 3.16 2.02 -0.41 -2.67 112.91 115.85 2b95 h THR 49 Ca -0.14 -0.57 0.07 0.00 0.77 0.00 0.00 66.41 66.54 2b95 h THR 49 Cb 1.72 1.45 -0.06 0.00 -1.74 0.00 0.00 68.15 69.52 2b95 h THR 49 CO 0.21 0.14 0.30 0.74 0.37 0.00 0.00 175.52 177.28 2b95 h THR 50 N -0.37 0.90 -0.51 3.16 2.02 -1.62 0.21 112.91 116.70 2b95 h THR 50 Ca -0.01 -0.19 0.07 0.00 0.77 0.00 0.00 66.41 67.05 2b95 h THR 50 Cb 0.32 0.30 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 2b95 h THR 50 CO 0.02 0.10 0.19 -0.61 0.37 0.00 0.00 175.52 175.59 2b95 h GLN 51 N 0.54 0.36 0.16 6.66 -0.00 -1.46 0.25 115.11 121.62 2b95 h GLN 51 Ca 0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.91 2b95 h GLN 51 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.64 2b95 h GLN 51 CO -0.22 0.24 -0.08 1.88 0.00 0.00 0.00 178.83 180.66 2b95 h TYR 52 N 0.37 -0.20 -0.09 3.99 -1.99 -1.03 -2.61 116.97 115.41 2b95 h TYR 52 Ca 0.24 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.99 2b95 h TYR 52 Cb 0.25 0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.04 2b95 h TYR 52 CO -0.16 0.22 0.17 0.00 -0.00 0.00 0.00 178.16 178.39 2b95 h ALA 53 N -0.00 1.51 0.18 3.88 0.00 -0.42 0.24 119.26 124.65 2b95 h ALA 53 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2b95 h ALA 53 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2b95 h ALA 53 CO 0.04 -0.21 -0.09 0.77 0.00 0.00 0.00 179.25 179.76 2b95 h SER 54 N 0.00 -0.20 0.80 0.00 0.02 -0.39 -3.28 113.55 110.49 2b95 h SER 54 Ca 0.05 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2b95 h SER 54 Cb 0.38 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2b95 h SER 54 CO -0.00 0.33 0.00 0.17 -1.14 0.00 0.00 176.83 176.19 2b95 h LEU 55 N -1.02 0.00 0.10 5.07 8.10 -1.08 -3.22 115.31 123.27 2b95 h LEU 55 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 2b95 h LEU 55 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.57 2b95 h LEU 55 CO 0.04 0.00 -0.05 0.24 -4.11 0.00 0.00 178.44 174.56 2b95 h MET 56 N 0.00 -0.13 -0.86 0.17 2.86 -0.60 0.25 114.93 116.61 2b95 h MET 56 Ca 0.00 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.78 2b95 h MET 56 Cb 0.40 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.02 2b95 h MET 56 CO 0.00 -0.09 0.56 1.25 1.06 0.00 0.00 176.91 179.69 2b95 h HIS 57 N -0.14 0.79 0.00 -0.22 -0.00 -1.65 0.23 115.15 114.17 2b95 h HIS 57 Ca -0.01 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 2b95 h HIS 57 Cb 0.11 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.26 2b95 h HIS 57 CO 0.20 0.31 -0.22 1.03 -0.00 0.00 0.00 177.93 179.24 2b95 h SER 58 N 0.69 0.00 0.07 3.26 0.87 -1.54 -2.33 113.55 114.56 2b95 h SER 58 Ca 0.43 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.78 2b95 h SER 58 Cb 0.67 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.65 2b95 h SER 58 CO -0.19 0.22 -0.83 0.15 -0.53 0.00 0.00 176.83 175.66 2b95 h PHE 59 N 0.00 0.70 0.04 2.24 3.57 0.28 -2.79 116.94 120.99 2b95 h PHE 59 Ca -0.00 -0.43 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 2b95 h PHE 59 Cb 0.63 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2b95 h PHE 59 CO 0.00 1.28 -0.02 0.82 -2.23 0.00 0.00 178.31 178.16 2b95 h ILE 60 N -0.08 1.12 0.00 1.41 1.08 -1.24 -2.15 117.51 117.65 2b95 h ILE 60 Ca -0.12 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 2b95 h ILE 60 Cb 1.56 1.45 -0.00 0.00 -3.07 0.00 0.00 36.82 36.76 2b95 h ILE 60 CO 0.16 0.13 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.62 2b95 h LEU 61 N -0.28 0.00 0.13 1.44 4.07 -1.55 0.21 115.31 119.34 2b95 h LEU 61 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2b95 h LEU 61 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 2b95 h LEU 61 CO 0.01 0.06 -0.06 0.50 -1.08 0.00 0.00 178.44 177.86 2b95 h LYS 62 N 0.00 -0.17 -0.21 1.13 1.63 -1.18 -2.65 116.57 115.12 2b95 h LYS 62 Ca -0.00 0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.65 2b95 h LYS 62 Cb 0.15 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2b95 h LYS 62 CO 0.01 0.29 -0.53 0.00 -3.45 0.00 0.00 179.45 175.76 2b95 h ALA 63 N -0.07 0.68 -0.14 5.00 0.00 -1.13 -2.90 119.26 120.70 2b95 h ALA 63 Ca -0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2b95 h ALA 63 Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2b95 h ALA 63 CO 0.03 0.68 0.03 -0.09 0.00 0.00 0.00 179.25 179.91 2b95 h ARG 64 N 0.47 0.20 0.00 0.00 2.43 -0.67 0.14 114.38 116.95 2b95 h ARG 64 Ca 0.01 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2b95 h ARG 64 Cb 1.08 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2b95 h ARG 64 CO 0.10 0.19 -0.53 1.03 -1.51 0.00 0.00 179.97 179.25 2b95 h SER 65 N 0.20 0.00 0.16 -3.80 0.87 -1.33 -3.30 113.55 106.35 2b95 h SER 65 Ca 0.05 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.34 2b95 h SER 65 Cb 0.08 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2b95 h SER 65 CO -0.00 0.53 -1.31 0.74 -0.53 0.00 0.00 176.83 176.26 2b95 h THR 66 N 0.00 1.20 -0.84 2.23 2.02 -1.05 -3.31 112.91 113.16 2b95 h THR 66 Ca -0.01 -2.51 0.24 0.00 0.77 0.00 0.00 66.41 64.90 2b95 h THR 66 Cb 1.36 2.93 -0.04 0.00 -1.74 0.00 0.00 68.15 70.67 2b95 h THR 66 CO 0.07 0.75 0.60 0.58 0.37 0.00 0.00 175.52 177.89 2b95 h VAL 67 N -0.17 0.59 -0.61 3.16 2.07 -0.86 0.17 116.25 120.59 2b95 h VAL 67 Ca -0.26 -0.01 0.18 0.00 0.82 0.00 0.00 66.70 67.43 2b95 h VAL 67 Cb 1.86 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2b95 h VAL 67 CO 0.15 0.00 0.46 0.03 0.02 0.00 0.00 177.57 178.23 2b95 h ARG 68 N 0.02 0.00 0.01 1.57 2.47 -1.65 0.25 114.38 117.05 2b95 h ARG 68 Ca 0.40 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.90 2b95 h ARG 68 Cb 1.57 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.87 2b95 h ARG 68 CO -0.01 0.00 -1.05 0.22 0.56 0.00 0.00 179.97 179.68 2b95 h ASP 69 N 0.00 0.04 -0.73 7.04 1.82 -0.89 -3.30 116.42 120.41 2b95 h ASP 69 Ca 0.29 -0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.84 2b95 h ASP 69 Cb 1.21 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 41.18 2b95 h ASP 69 CO -0.00 1.04 0.28 0.40 -1.61 0.00 0.00 179.24 179.34 2b95 h ILE 70 N 0.01 1.25 -3.30 2.25 2.04 -0.56 -3.46 117.51 115.74 2b95 h ILE 70 Ca -0.03 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 2b95 h ILE 70 Cb 1.80 0.42 -0.13 0.00 -0.74 0.00 0.00 36.82 38.17 2b95 h ILE 70 CO 0.14 0.32 -0.00 -1.81 0.00 0.00 0.00 178.15 176.80 2b95 s ASP 71 N -6.29 -0.31 0.00 1.72 1.11 -0.99 -5.07 116.67 106.84 2b95 s ASP 71 Ca -0.12 -0.27 -0.24 0.00 0.18 0.00 0.00 52.55 52.10 2b95 s ASP 71 Cb 0.15 0.51 -0.18 0.00 1.07 0.00 0.00 42.92 44.47 2b95 s ASP 71 CO 0.83 -0.89 1.30 1.55 1.18 0.00 0.00 175.17 179.13 2b95 h PRO 72 N 2.27 0.15 -4.73 8.23 0.13 -1.89 -3.41 132.00 132.75 2b95 h PRO 72 Ca -0.34 -0.08 -0.66 0.00 -0.87 0.00 0.00 66.00 64.06 2b95 h PRO 72 Cb 1.27 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.02 2b95 h PRO 72 CO 0.44 0.59 -0.78 -0.65 -0.23 0.00 0.00 178.00 177.38 2b95 s GLN 73 N -4.28 1.94 0.26 0.86 -0.21 -1.26 -5.02 119.66 111.95 2b95 s GLN 73 Ca -0.15 -1.43 -0.08 0.00 0.02 0.00 0.00 55.36 53.71 2b95 s GLN 73 Cb 0.03 -2.91 -0.01 0.00 1.00 0.00 0.00 33.01 31.12 2b95 s GLN 73 CO 0.71 -0.68 0.42 0.54 -2.12 0.00 0.00 175.29 174.15 2b95 s ASN 74 N 1.10 0.18 -0.30 5.90 2.20 -1.26 -5.16 114.94 117.59 2b95 s ASN 74 Ca -0.03 -1.14 -0.08 0.00 -0.94 0.00 0.00 52.86 50.66 2b95 s ASN 74 Cb -0.20 0.57 0.15 0.00 -2.00 0.00 0.00 41.25 39.78 2b95 s ASN 74 CO -0.06 -1.13 0.70 -1.81 -2.94 0.00 0.00 177.10 171.86 2b95 s ASP 75 N -3.09 -1.10 0.33 3.54 1.11 -1.26 -5.07 116.67 111.13 2b95 s ASP 75 Ca 0.27 1.22 -0.28 0.00 0.18 0.00 0.00 52.55 53.95 2b95 s ASP 75 Cb 0.01 2.14 -0.09 0.00 1.07 0.00 0.00 42.92 46.04 2b95 s ASP 75 CO 0.12 -0.21 1.16 -0.76 1.18 0.00 0.00 175.17 176.66 2b95 s LEU 76 N 2.83 4.39 0.00 1.23 2.01 -1.26 -4.93 118.68 122.95 2b95 s LEU 76 Ca 0.02 2.37 0.00 0.00 0.01 0.00 0.00 54.13 56.53 2b95 s LEU 76 Cb -0.12 -3.79 0.00 0.00 0.01 0.00 0.00 46.19 42.30 2b95 s LEU 76 CO -0.19 -0.41 0.82 1.07 1.01 0.00 0.00 176.35 178.66 2b95 n THR 77 N 0.69 0.00 -3.48 5.49 5.66 -1.26 -4.72 114.28 116.66 2b95 n THR 77 Ca 0.01 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.02 2b95 n THR 77 Cb 0.45 0.47 -0.05 0.00 -1.55 0.00 0.00 70.33 69.65 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 -0.54 -0.30 1.09 5.36 -1.26 -4.67 117.98 117.66 2b95 s PHE 78 Ca 0.00 0.99 -0.01 0.00 -0.96 0.00 0.00 56.93 56.95 2b95 s PHE 78 Cb 0.00 0.32 0.10 0.00 -0.34 0.00 0.00 43.02 43.10 2b95 s PHE 78 CO 0.00 -0.27 0.09 -0.51 -1.46 0.00 0.00 175.22 173.08 2b95 s LEU 79 N 1.94 2.03 0.03 6.12 1.02 0.87 -4.99 118.68 125.70 2b95 s LEU 79 Ca -0.05 -1.55 0.05 0.00 0.02 0.00 0.00 54.13 52.61 2b95 s LEU 79 Cb -0.04 -0.81 -0.03 0.00 0.02 0.00 0.00 46.19 45.32 2b95 s LEU 79 CO -0.16 -0.41 -0.11 -0.13 0.02 0.00 0.00 176.35 175.56 2b95 s ARG 80 N 1.67 2.32 -0.36 1.70 0.52 -1.26 -0.53 118.95 123.01 2b95 s ARG 80 Ca 0.09 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.46 2b95 s ARG 80 Cb -0.17 -2.36 0.15 0.00 0.52 0.00 0.00 34.95 33.09 2b95 s ARG 80 CO -0.25 0.57 0.29 0.42 0.02 0.00 0.00 175.30 176.35 2b95 s ILE 81 N -0.99 -0.11 -0.11 1.52 1.01 -1.24 -5.03 121.20 116.25 2b95 s ILE 81 Ca 0.17 -1.30 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 2b95 s ILE 81 Cb -0.11 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 2b95 s ILE 81 CO 0.07 -0.78 1.84 -0.60 0.00 0.00 0.00 174.94 175.48 2b95 s ARG 82 N 1.32 3.85 0.31 2.79 3.52 -1.26 -3.92 118.95 125.56 2b95 s ARG 82 Ca 0.17 2.11 0.08 0.00 -0.13 0.00 0.00 55.73 57.97 2b95 s ARG 82 Cb -0.19 -4.13 -0.06 0.00 -1.56 0.00 0.00 34.95 29.01 2b95 s ARG 82 CO -0.04 -1.26 -0.09 -1.54 -0.81 0.00 0.00 175.30 171.56 2b95 s SER 83 N 4.89 3.27 0.25 -2.12 1.04 -1.23 -5.03 113.70 114.77 2b95 s SER 83 Ca 0.82 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2b95 s SER 83 Cb -0.33 -0.26 0.30 0.00 0.10 0.00 0.00 66.02 65.82 2b95 s SER 83 CO 0.34 -0.24 1.64 0.11 0.98 0.00 0.00 173.24 176.07 2b95 h LYS 84 N 2.17 0.52 0.04 4.02 1.57 -2.04 -3.22 116.57 119.63 2b95 h LYS 84 Ca -0.41 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.13 2b95 h LYS 84 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2b95 h LYS 84 CO 0.68 0.79 -0.02 0.87 -0.57 0.00 0.00 179.45 181.20 2b95 h LYS 85 N 0.44 -0.06 -1.29 3.15 1.79 -1.99 -3.49 116.57 115.11 2b95 h LYS 85 Ca 0.05 0.00 0.29 0.00 -2.18 0.00 0.00 60.65 58.81 2b95 h LYS 85 Cb 0.81 0.01 -0.20 0.00 -1.58 0.00 0.00 32.23 31.28 2b95 h LYS 85 CO 0.07 0.42 0.88 0.54 -1.08 0.00 0.00 179.45 180.28 2b95 s ASN 86 N -5.63 -0.08 -0.24 0.86 2.20 -1.22 -4.87 114.94 105.96 2b95 s ASN 86 Ca -0.15 -0.00 -0.19 0.00 -0.94 0.00 0.00 52.86 51.58 2b95 s ASN 86 Cb 0.01 0.09 -0.03 0.00 -2.00 0.00 0.00 41.25 39.33 2b95 s ASN 86 CO 0.64 -0.14 0.54 -1.83 -2.94 0.00 0.00 177.10 173.37 2b95 s GLU 87 N -2.26 4.11 -0.37 3.55 4.04 -0.82 -3.52 118.70 123.42 2b95 s GLU 87 Ca 0.10 0.40 0.00 0.00 0.04 0.00 0.00 54.97 55.52 2b95 s GLU 87 Cb -0.01 -3.63 0.10 0.00 0.02 0.00 0.00 34.13 30.61 2b95 s GLU 87 CO -0.04 -0.32 0.12 0.42 -1.84 0.00 0.00 175.26 173.61 2b95 s ILE 88 N 2.19 2.83 -0.17 1.83 1.01 -1.25 -3.13 121.20 124.51 2b95 s ILE 88 Ca 0.23 -2.14 -0.13 0.00 0.00 0.00 0.00 60.65 58.62 2b95 s ILE 88 Cb -0.16 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 2b95 s ILE 88 CO 0.09 -0.61 0.24 0.00 0.00 0.00 0.00 174.94 174.66 2b95 s MET 89 N 1.05 4.24 0.01 2.79 0.23 -1.09 -3.69 119.30 122.83 2b95 s MET 89 Ca 0.08 -0.01 0.01 0.00 -1.03 0.00 0.00 55.69 54.74 2b95 s MET 89 Cb -0.21 -3.42 -0.01 0.00 -1.53 0.00 0.00 34.83 29.66 2b95 s MET 89 CO -0.06 0.26 -0.03 0.08 -2.03 0.00 0.00 175.02 173.24 2b95 s VAL 90 N 0.44 0.21 0.08 5.16 1.01 0.30 -2.21 120.40 125.40 2b95 s VAL 90 Ca 0.14 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 2b95 s VAL 90 Cb -0.12 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.03 2b95 s VAL 90 CO 0.02 -0.16 0.29 0.00 0.00 0.00 0.00 175.10 175.25 2b95 s ALA 91 N -0.62 -0.60 -0.46 5.51 0.00 -1.23 -0.09 121.76 124.27 2b95 s ALA 91 Ca -0.05 -0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 2b95 s ALA 91 Cb -0.05 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 2b95 s ALA 91 CO -0.00 -0.52 1.77 -1.25 0.00 0.00 0.00 175.76 175.76 2b95 s PRO 92 N -3.38 3.07 0.00 0.00 0.04 -1.26 -3.47 135.00 130.00 2b95 s PRO 92 Ca 0.01 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2b95 s PRO 92 Cb 0.02 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2b95 s PRO 92 CO -0.09 -2.19 0.00 -3.47 0.04 0.00 0.00 177.00 171.30 2b95 n ASP 93 N 11.13 0.00 -0.09 6.66 2.03 0.86 -4.95 116.55 132.18 2b95 n ASP 93 Ca 0.21 -0.83 -0.07 0.00 0.52 0.00 0.00 54.79 54.62 2b95 n ASP 93 Cb 0.49 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2b95 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2b95 h LYS 94 N 0.00 -0.17 0.00 -0.67 1.57 -2.02 -3.36 116.57 111.92 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 -0.12 -0.18 -3.47 -0.57 0.00 0.00 179.45 175.12 2b95 n ASP 95 N -5.38 0.00 -3.44 0.86 2.03 -1.26 -5.12 116.55 104.24 2b95 n ASP 95 Ca 0.01 -1.35 -0.16 0.00 0.52 0.00 0.00 54.79 53.81 2b95 n ASP 95 Cb 0.29 -0.07 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2b95 s TYR 96 N 0.00 1.29 -0.31 -0.67 1.13 -1.26 -2.77 117.35 114.76 2b95 s TYR 96 Ca 0.00 -1.41 0.02 0.00 -1.41 0.00 0.00 57.07 54.28 2b95 s TYR 96 Cb 0.00 -0.35 0.08 0.00 -1.10 0.00 0.00 41.96 40.59 2b95 s TYR 96 CO 0.00 -0.98 -0.00 -0.06 -2.51 0.00 0.00 175.55 172.00 2b95 s PHE 97 N -3.37 3.51 0.21 -3.49 0.08 0.91 -0.10 117.98 115.73 2b95 s PHE 97 Ca 0.35 -2.58 -0.30 0.00 0.12 0.00 0.00 56.93 54.52 2b95 s PHE 97 Cb 0.01 -2.50 -0.08 0.00 -0.57 0.00 0.00 43.02 39.88 2b95 s PHE 97 CO 0.21 -0.91 1.13 -1.17 -0.10 0.00 0.00 175.22 174.39 2b95 s LEU 98 N 1.03 4.49 -0.26 -0.37 0.20 -1.23 -3.36 118.68 119.19 2b95 s LEU 98 Ca 0.02 2.20 -0.00 0.00 0.69 0.00 0.00 54.13 57.03 2b95 s LEU 98 Cb -0.20 -3.61 0.08 0.00 -0.43 0.00 0.00 46.19 42.03 2b95 s LEU 98 CO -0.06 -0.25 0.02 -0.63 -0.29 0.00 0.00 176.35 175.14 2b95 s ILE 99 N -0.47 1.21 -0.37 6.68 1.09 -1.03 -3.52 121.20 124.80 2b95 s ILE 99 Ca 0.49 -1.27 -0.14 0.00 -1.10 0.00 0.00 60.65 58.62 2b95 s ILE 99 Cb -0.31 -1.71 0.00 0.00 -1.06 0.00 0.00 42.46 39.38 2b95 s ILE 99 CO 0.38 -0.36 0.28 -0.69 -0.10 0.00 0.00 174.94 174.45 2b95 s VAL 100 N 1.50 5.26 -0.18 2.92 1.01 -0.94 -2.91 120.40 127.06 2b95 s VAL 100 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2b95 s VAL 100 Cb -0.18 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2b95 s VAL 100 CO -0.13 -0.16 -0.07 -0.63 0.00 0.00 0.00 175.10 174.12 2b95 s ILE 101 N 1.74 3.39 0.19 2.22 1.01 -1.14 -2.66 121.20 125.95 2b95 s ILE 101 Ca 0.06 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 59.97 2b95 s ILE 101 Cb -0.18 -2.49 0.07 0.00 0.01 0.00 0.00 42.46 39.87 2b95 s ILE 101 CO 0.11 0.47 0.99 0.00 0.00 0.00 0.00 174.94 176.50 2b95 s GLN 102 N 0.89 1.34 0.97 2.79 -2.07 -1.18 -0.12 119.66 122.28 2b95 s GLN 102 Ca -0.01 -0.82 -0.13 0.00 -1.82 0.00 0.00 55.36 52.58 2b95 s GLN 102 Cb -0.15 0.41 0.04 0.00 -1.09 0.00 0.00 33.01 32.22 2b95 s GLN 102 CO 0.01 -0.62 0.38 0.09 -1.32 0.00 0.00 175.29 173.82 2b95 n ASN 103 N -0.92 -2.10 -4.77 12.60 3.02 -0.96 -1.95 115.26 120.17 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 0.60 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 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 -3.63 3.40 -0.10 3.52 0.04 -1.26 -4.40 135.00 132.58 2b95 s PRO 104 Ca 0.57 1.63 0.04 0.00 0.04 0.00 0.00 61.00 63.28 2b95 s PRO 104 Cb -0.20 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 2b95 s PRO 104 CO 0.67 -0.81 -0.04 0.25 0.04 0.00 0.00 177.00 177.11 2b95 n THR 105 N -1.20 0.62 1.36 1.26 -2.24 -1.26 -5.03 114.28 107.79 2b95 n THR 105 Ca 0.11 -0.30 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 2b95 n THR 105 Cb 0.51 -0.84 0.41 0.00 -2.10 0.00 0.00 70.33 68.30 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71