#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 1.60 -0.24 -5.12 0.00 -2.05 -1.37 119.26 112.08 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 -0.16 1.49 0.00 0.00 0.00 179.25 180.57 2b95 h GLU 13 N 0.78 -0.14 -0.28 0.00 4.81 -2.06 0.24 114.58 117.94 2b95 h GLU 13 Ca 0.55 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.75 2b95 h GLU 13 Cb 0.81 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2b95 h GLU 13 CO -0.36 -0.10 -0.02 0.28 -0.73 0.00 0.00 179.01 178.08 2b95 h VAL 14 N -0.15 1.18 -0.34 0.32 2.07 -1.72 -2.69 116.25 114.91 2b95 h VAL 14 Ca 0.14 -0.71 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 2b95 h VAL 14 Cb 0.35 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2b95 h VAL 14 CO -0.33 0.24 -0.23 -0.33 0.02 0.00 0.00 177.57 176.93 2b95 h GLU 15 N 0.41 0.76 -0.56 1.57 5.08 -0.43 -1.74 114.58 119.66 2b95 h GLU 15 Ca 0.09 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2b95 h GLU 15 Cb 0.30 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2b95 h GLU 15 CO 0.01 0.98 0.37 1.49 -1.00 0.00 0.00 179.01 180.86 2b95 h GLU 16 N 0.53 0.68 0.00 2.33 4.22 -0.27 -1.27 114.58 120.80 2b95 h GLU 16 Ca 0.07 -0.04 -0.12 0.00 0.08 0.00 0.00 59.36 59.35 2b95 h GLU 16 Cb 0.79 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2b95 h GLU 16 CO 0.06 0.45 -0.57 1.15 -2.18 0.00 0.00 179.01 177.93 2b95 h THR 17 N 0.70 0.98 -0.38 0.32 2.02 -1.37 -3.28 112.91 111.91 2b95 h THR 17 Ca 0.22 -2.36 -0.13 0.00 0.77 0.00 0.00 66.41 64.90 2b95 h THR 17 Cb 0.01 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2b95 h THR 17 CO -0.05 0.55 -0.28 -0.07 0.37 0.00 0.00 175.52 176.04 2b95 h LEU 18 N 0.00 0.90 -0.02 2.58 4.07 -0.31 -1.23 115.31 121.30 2b95 h LEU 18 Ca -0.01 -0.44 0.01 0.00 0.08 0.00 0.00 57.88 57.52 2b95 h LEU 18 Cb 1.43 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 2b95 h LEU 18 CO 0.07 1.15 -0.03 0.11 -1.08 0.00 0.00 178.44 178.66 2b95 h LYS 19 N 0.66 -0.04 -0.29 1.13 1.79 -1.46 0.18 116.57 118.54 2b95 h LYS 19 Ca 0.07 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.46 2b95 h LYS 19 Cb 0.86 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.50 2b95 h LYS 19 CO 0.07 -0.03 -0.19 -0.09 -1.08 0.00 0.00 179.45 178.14 2b95 h ARG 20 N -0.04 0.53 0.28 3.15 9.65 -1.61 -1.51 114.38 124.82 2b95 h ARG 20 Ca 0.02 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 2b95 h ARG 20 Cb 0.07 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2b95 h ARG 20 CO -0.05 0.70 -0.13 -0.07 2.80 0.00 0.00 179.97 183.21 2b95 h LEU 21 N 0.48 -0.32 -2.30 3.80 4.07 -0.79 -2.12 115.31 118.13 2b95 h LEU 21 Ca 0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 2b95 h LEU 21 Cb 0.60 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 2b95 h LEU 21 CO 0.04 0.04 -0.03 -0.61 -1.08 0.00 0.00 178.44 176.80 2b95 h GLN 22 N -0.70 0.00 0.00 1.13 4.15 -0.63 -1.35 115.11 117.71 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 0.48 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 2b95 h GLN 22 CO 0.06 0.03 -0.44 0.77 -1.93 0.00 0.00 178.83 177.32 2b95 h SER 23 N 0.00 0.00 -2.86 -0.69 0.02 -1.07 -3.45 113.55 105.50 2b95 h SER 23 Ca -0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 2b95 h SER 23 Cb 0.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2b95 h SER 23 CO 0.00 0.42 -0.46 0.00 -1.14 0.00 0.00 176.83 175.66 2b95 s GLN 24 N -3.00 3.47 0.44 3.45 -2.07 -0.51 -5.08 119.66 116.36 2b95 s GLN 24 Ca 0.04 -0.43 -0.22 0.00 -1.82 0.00 0.00 55.36 52.94 2b95 s GLN 24 Cb 0.07 -2.98 -0.09 0.00 -1.09 0.00 0.00 33.01 28.92 2b95 s GLN 24 CO 0.73 0.56 1.03 0.21 -1.32 0.00 0.00 175.29 176.50 2b95 s LYS 25 N -2.75 4.03 0.00 9.60 2.20 -1.26 -4.01 119.74 127.55 2b95 s LYS 25 Ca 0.36 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.37 2b95 s LYS 25 Cb -0.12 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 2b95 s LYS 25 CO 0.28 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.44 2b95 n GLY 26 N 0.00 3.24 3.68 5.54 0.00 -1.26 -5.01 105.19 111.38 2b95 n GLY 26 Ca 0.07 -0.93 -0.50 0.00 0.00 0.00 0.00 46.02 44.66 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 0.47 -0.01 1.61 0.31 -1.26 -2.69 118.33 116.76 2b95 n VAL 27 Ca 0.00 -0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 2b95 n VAL 27 Cb 0.00 -1.70 -0.14 0.00 -0.91 0.00 0.00 33.84 31.09 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 8.49 0.00 0.00 5.55 7.50 -0.85 -3.48 115.11 132.33 2b95 h GLN 28 Ca -0.48 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 58.66 2b95 h GLN 28 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.81 2b95 h GLN 28 CO 0.94 0.55 0.00 0.41 -1.50 0.00 0.00 178.83 179.23 2b95 n GLY 29 N 1.54 3.20 3.27 3.46 0.00 -1.04 -4.94 105.19 110.68 2b95 n GLY 29 Ca -0.15 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.84 1.86 0.03 -0.61 1.09 -1.26 -1.87 121.20 118.60 2b95 s ILE 30 Ca 0.00 -1.02 0.06 0.00 -1.10 0.00 0.00 60.65 58.59 2b95 s ILE 30 Cb 0.00 -1.55 -0.02 0.00 -1.06 0.00 0.00 42.46 39.83 2b95 s ILE 30 CO 0.00 0.51 -0.19 -0.63 -0.10 0.00 0.00 174.94 174.53 2b95 s ILE 31 N -0.56 1.51 -0.21 2.92 1.01 -0.64 -3.18 121.20 122.05 2b95 s ILE 31 Ca 0.09 -1.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 2b95 s ILE 31 Cb -0.09 -1.32 0.06 0.00 0.01 0.00 0.00 42.46 41.13 2b95 s ILE 31 CO -0.01 0.20 0.02 -0.69 0.00 0.00 0.00 174.94 174.46 2b95 s VAL 32 N -0.75 0.80 -0.06 2.92 1.01 0.11 -1.81 120.40 122.62 2b95 s VAL 32 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2b95 s VAL 32 Cb -0.08 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2b95 s VAL 32 CO 0.01 -0.21 -0.08 -0.69 0.00 0.00 0.00 175.10 174.13 2b95 s VAL 33 N 1.73 3.62 0.40 2.92 1.01 -1.16 -0.14 120.40 128.78 2b95 s VAL 33 Ca -0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2b95 s VAL 33 Cb -0.18 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 33.81 2b95 s VAL 33 CO -0.09 0.58 0.55 -0.46 0.00 0.00 0.00 175.10 175.69 2b95 n ASN 34 N 2.18 0.58 0.26 3.32 0.23 -0.81 -0.04 115.26 120.98 2b95 n ASN 34 Ca -0.18 -1.53 0.12 0.00 -0.53 0.00 0.00 54.58 52.47 2b95 n ASN 34 Cb 0.53 -0.37 0.69 0.00 -2.08 0.00 0.00 39.78 38.55 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 -0.66 0.57 0.00 5.53 1.35 -1.76 -1.91 112.91 116.02 2b95 h THR 35 Ca -0.18 -0.60 -0.07 0.00 -0.55 0.00 0.00 66.41 65.01 2b95 h THR 35 Cb 0.63 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 2b95 h THR 35 CO 0.18 0.13 -0.35 -0.33 -0.25 0.00 0.00 175.52 174.90 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 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2b95 h GLU 36 CO 0.02 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 2b95 n GLY 37 N 0.80 0.59 3.74 -3.84 0.00 -0.72 -5.08 105.19 100.67 2b95 n GLY 37 Ca 0.01 0.00 -0.40 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 4.89 -1.13 -0.61 1.01 -1.26 -4.75 121.20 117.35 2b95 s ILE 38 Ca 0.00 1.49 -0.23 0.00 0.00 0.00 0.00 60.65 61.91 2b95 s ILE 38 Cb 0.00 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 2b95 s ILE 38 CO 0.00 0.33 1.94 -2.16 0.00 0.00 0.00 174.94 175.05 2b95 s PRO 39 N 0.25 2.50 0.39 2.79 0.04 -1.26 -1.92 135.00 137.79 2b95 s PRO 39 Ca 0.37 -0.99 0.17 0.00 0.04 0.00 0.00 61.00 60.58 2b95 s PRO 39 Cb -0.19 -5.21 1.06 0.00 0.04 0.00 0.00 34.50 30.20 2b95 s PRO 39 CO 0.20 -3.87 1.78 -0.84 0.04 0.00 0.00 177.00 174.32 2b95 h ILE 40 N 6.39 0.57 -3.76 0.56 3.07 -0.88 -3.41 117.51 120.05 2b95 h ILE 40 Ca 0.19 -0.15 -0.22 0.00 1.55 0.00 0.00 64.86 66.23 2b95 h ILE 40 Cb 0.95 0.09 -0.27 0.00 -0.27 0.00 0.00 36.82 37.32 2b95 h ILE 40 CO 1.22 0.08 -0.72 -0.54 -1.05 0.00 0.00 178.15 177.15 2b95 s LYS 41 N -5.52 0.04 -0.20 0.16 -0.14 -0.97 -5.02 119.74 108.09 2b95 s LYS 41 Ca -0.09 -0.07 -0.28 0.00 -1.36 0.00 0.00 55.97 54.17 2b95 s LYS 41 Cb 0.25 0.01 0.12 0.00 -1.68 0.00 0.00 37.83 36.53 2b95 s LYS 41 CO 0.80 -0.01 0.97 0.45 -0.76 0.00 0.00 175.35 176.80 2b95 s SER 42 N -0.17 -0.44 -0.00 2.83 0.15 -1.26 0.04 113.70 114.85 2b95 s SER 42 Ca -0.02 0.65 0.02 0.00 0.70 0.00 0.00 55.95 57.30 2b95 s SER 42 Cb -0.01 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2b95 s SER 42 CO -0.00 -0.29 0.06 0.35 1.20 0.00 0.00 173.24 174.57 2b95 n THR 43 N 1.39 0.00 -0.37 6.45 -2.24 -1.19 -5.05 114.28 113.28 2b95 n THR 43 Ca -0.12 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2b95 n THR 43 Cb 0.57 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.41 -1.01 -1.25 -0.78 1.56 -1.26 -5.01 117.12 107.96 2b95 n MET 44 Ca -0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.13 2b95 n MET 44 Cb 0.05 0.00 0.13 0.00 2.15 0.00 0.00 33.22 35.55 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 -1.60 3.62 0.03 6.12 -1.08 -1.26 -4.82 116.67 117.68 2b95 s ASP 45 Ca 0.00 1.47 -0.29 0.00 -0.52 0.00 0.00 52.55 53.20 2b95 s ASP 45 Cb 0.00 -2.15 -0.17 0.00 -1.46 0.00 0.00 42.92 39.14 2b95 s ASP 45 CO 0.00 -2.54 1.33 -1.13 0.52 0.00 0.00 175.17 173.35 2b95 h ASN 46 N -1.48 -0.75 0.70 -0.34 -0.00 -1.99 -0.24 115.58 111.47 2b95 h ASN 46 Ca -0.49 -0.01 -0.06 0.00 -0.00 0.00 0.00 56.30 55.74 2b95 h ASN 46 Cb 1.28 0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 39.79 2b95 h ASN 46 CO 0.55 -0.42 -0.27 1.55 -0.00 0.00 0.00 177.43 178.84 2b95 h PRO 47 N -1.08 0.00 0.02 6.67 0.13 -2.00 -2.76 132.00 132.97 2b95 h PRO 47 Ca -0.09 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.83 2b95 h PRO 47 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 2b95 h PRO 47 CO 0.15 0.27 -0.94 1.15 -0.23 0.00 0.00 178.00 178.40 2b95 h THR 48 N 0.00 1.48 -0.02 1.56 2.02 -1.93 -3.03 112.91 112.99 2b95 h THR 48 Ca -0.00 -2.64 -0.01 0.00 0.77 0.00 0.00 66.41 64.52 2b95 h THR 48 Cb 0.69 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2b95 h THR 48 CO 0.04 0.77 -0.04 0.74 0.37 0.00 0.00 175.52 177.40 2b95 h THR 49 N 0.14 1.46 -0.64 3.16 2.02 -0.88 -2.55 112.91 115.62 2b95 h THR 49 Ca -0.06 -1.42 0.08 0.00 0.77 0.00 0.00 66.41 65.79 2b95 h THR 49 Cb 1.58 2.36 -0.07 0.00 -1.74 0.00 0.00 68.15 70.29 2b95 h THR 49 CO 0.15 0.38 0.29 0.74 0.37 0.00 0.00 175.52 177.45 2b95 h THR 50 N -0.50 0.84 0.06 3.16 2.02 -1.60 0.22 112.91 117.11 2b95 h THR 50 Ca -0.00 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2b95 h THR 50 Cb 0.64 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2b95 h THR 50 CO 0.01 0.09 -0.03 -0.61 0.37 0.00 0.00 175.52 175.35 2b95 h GLN 51 N 0.51 -0.08 0.32 6.66 -0.00 -1.58 0.60 115.11 121.54 2b95 h GLN 51 Ca 0.31 0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.95 2b95 h GLN 51 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.83 2b95 h GLN 51 CO -0.26 0.03 -0.15 1.88 0.00 0.00 0.00 178.83 180.33 2b95 h TYR 52 N -0.18 -0.40 0.00 3.99 -1.99 -1.00 -1.79 116.97 115.61 2b95 h TYR 52 Ca -0.01 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 2b95 h TYR 52 Cb 0.15 0.13 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 2b95 h TYR 52 CO -0.04 -0.25 -0.01 0.00 -0.00 0.00 0.00 178.16 177.86 2b95 h ALA 53 N 0.26 1.09 0.05 3.88 0.00 -0.56 0.25 119.26 124.23 2b95 h ALA 53 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2b95 h ALA 53 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2b95 h ALA 53 CO 0.07 0.01 -0.02 0.77 0.00 0.00 0.00 179.25 180.08 2b95 h SER 54 N 0.00 -0.05 1.90 0.00 0.02 -0.05 -3.28 113.55 112.09 2b95 h SER 54 Ca -0.00 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 2b95 h SER 54 Cb 0.11 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2b95 h SER 54 CO 0.00 0.58 -0.02 0.17 -1.14 0.00 0.00 176.83 176.43 2b95 h LEU 55 N -0.72 0.00 -1.04 5.07 8.10 -1.05 -3.29 115.31 122.38 2b95 h LEU 55 Ca -0.01 -0.00 0.14 0.00 0.11 0.00 0.00 57.88 58.13 2b95 h LEU 55 Cb 0.62 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.75 2b95 h LEU 55 CO 0.01 0.00 0.62 -0.03 -4.11 0.00 0.00 178.44 174.93 2b95 h MET 56 N 0.00 0.87 0.01 0.17 4.05 -0.56 0.26 114.93 119.73 2b95 h MET 56 Ca 0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2b95 h MET 56 Cb 0.96 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 2b95 h MET 56 CO 0.00 0.58 -0.01 1.25 0.23 0.00 0.00 176.91 178.96 2b95 h HIS 57 N 0.90 -0.01 -0.34 1.39 -0.00 -1.67 -3.20 115.15 112.21 2b95 h HIS 57 Ca 0.52 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.98 2b95 h HIS 57 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 2b95 h HIS 57 CO -0.00 0.72 0.33 1.03 -0.00 0.00 0.00 177.93 180.01 2b95 h SER 58 N -0.97 0.00 0.40 3.26 0.87 -1.57 -1.35 113.55 114.19 2b95 h SER 58 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2b95 h SER 58 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2b95 h SER 58 CO 0.00 0.00 -0.19 0.15 -0.53 0.00 0.00 176.83 176.26 2b95 h PHE 59 N 0.00 -0.50 -0.33 2.24 3.57 -0.56 -2.22 116.94 119.14 2b95 h PHE 59 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2b95 h PHE 59 Cb 0.81 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2b95 h PHE 59 CO 0.00 -0.18 0.16 0.82 -2.23 0.00 0.00 178.31 176.88 2b95 h ILE 60 N -0.98 0.97 -0.01 1.41 1.08 -1.39 -0.88 117.51 117.71 2b95 h ILE 60 Ca -0.05 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2b95 h ILE 60 Cb 0.54 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 2b95 h ILE 60 CO 0.09 0.06 0.01 -0.07 -0.69 0.00 0.00 178.15 177.55 2b95 h LEU 61 N 0.33 0.00 0.05 1.44 4.07 -1.35 0.22 115.31 120.07 2b95 h LEU 61 Ca 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2b95 h LEU 61 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 2b95 h LEU 61 CO -0.11 0.00 -0.02 0.50 -1.08 0.00 0.00 178.44 177.73 2b95 h LYS 62 N 0.00 -0.06 -0.03 1.13 1.63 -0.55 -3.23 116.57 115.46 2b95 h LYS 62 Ca 0.01 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 2b95 h LYS 62 Cb 0.03 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 2b95 h LYS 62 CO -0.00 0.54 -0.32 0.00 -3.45 0.00 0.00 179.45 176.23 2b95 h ALA 63 N -0.22 1.43 -0.98 5.00 0.00 -0.94 -2.68 119.26 120.86 2b95 h ALA 63 Ca -0.01 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2b95 h ALA 63 Cb 0.63 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 2b95 h ALA 63 CO 0.01 0.42 0.64 -0.09 0.00 0.00 0.00 179.25 180.24 2b95 h ARG 64 N 0.04 1.20 0.00 0.00 2.43 -0.66 0.20 114.38 117.59 2b95 h ARG 64 Ca 0.00 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 2b95 h ARG 64 Cb 0.58 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2b95 h ARG 64 CO 0.04 0.79 -0.62 1.03 -1.51 0.00 0.00 179.97 179.70 2b95 h SER 65 N 1.23 0.00 0.03 -3.80 0.87 -1.52 -2.90 113.55 107.47 2b95 h SER 65 Ca 0.39 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2b95 h SER 65 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2b95 h SER 65 CO -0.12 0.62 -0.01 0.74 -0.53 0.00 0.00 176.83 177.53 2b95 h THR 66 N 0.00 1.43 0.00 2.23 2.02 -0.98 -3.26 112.91 114.34 2b95 h THR 66 Ca -0.01 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.50 2b95 h THR 66 Cb 1.43 2.50 -0.00 0.00 -1.74 0.00 0.00 68.15 70.34 2b95 h THR 66 CO 0.08 0.41 -0.15 0.58 0.37 0.00 0.00 175.52 176.81 2b95 h VAL 67 N -0.78 0.91 -0.39 3.16 2.07 -0.76 -2.20 116.25 118.26 2b95 h VAL 67 Ca -0.00 -0.54 0.11 0.00 0.82 0.00 0.00 66.70 67.09 2b95 h VAL 67 Cb 0.70 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2b95 h VAL 67 CO 0.01 0.14 0.30 0.03 0.02 0.00 0.00 177.57 178.07 2b95 h ARG 68 N 0.00 0.00 0.00 1.57 2.47 -1.55 0.25 114.38 117.12 2b95 h ARG 68 Ca -0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 2b95 h ARG 68 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2b95 h ARG 68 CO 0.02 0.00 -0.31 0.22 0.56 0.00 0.00 179.97 180.46 2b95 h ASP 69 N 0.00 0.00 -0.36 7.04 3.58 -1.51 -3.16 116.42 122.01 2b95 h ASP 69 Ca 0.19 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.57 2b95 h ASP 69 Cb 0.78 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2b95 h ASP 69 CO -0.00 0.31 -0.05 0.40 -2.88 0.00 0.00 179.24 177.02 2b95 h ILE 70 N 0.00 1.27 -1.07 2.25 2.04 -0.63 -3.48 117.51 117.90 2b95 h ILE 70 Ca -0.00 -1.08 0.31 0.00 1.00 0.00 0.00 64.86 65.08 2b95 h ILE 70 Cb 0.87 1.24 -0.22 0.00 -0.74 0.00 0.00 36.82 37.97 2b95 h ILE 70 CO 0.04 0.36 0.97 -1.81 0.00 0.00 0.00 178.15 177.71 2b95 s ASP 71 N -6.23 -0.02 -0.00 1.72 1.11 -1.19 -5.02 116.67 107.03 2b95 s ASP 71 Ca -0.13 0.01 -0.24 0.00 0.18 0.00 0.00 52.55 52.37 2b95 s ASP 71 Cb 0.09 0.02 -0.18 0.00 1.07 0.00 0.00 42.92 43.92 2b95 s ASP 71 CO 0.79 -0.04 1.29 1.55 1.18 0.00 0.00 175.17 179.95 2b95 h PRO 72 N 2.01 0.13 -0.10 8.23 0.13 -1.91 -3.17 132.00 137.32 2b95 h PRO 72 Ca -0.04 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 2b95 h PRO 72 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2b95 h PRO 72 CO 0.19 0.58 -0.08 1.96 -0.23 0.00 0.00 178.00 180.43 2b95 h GLN 73 N -0.32 0.15 -6.59 0.86 4.20 -1.97 -3.44 115.11 108.00 2b95 h GLN 73 Ca 0.01 -0.02 -0.59 0.00 0.06 0.00 0.00 58.65 58.11 2b95 h GLN 73 Cb 0.56 -0.03 0.13 0.00 0.30 0.00 0.00 27.48 28.44 2b95 h GLN 73 CO 0.01 0.24 0.13 0.09 -0.67 0.00 0.00 178.83 178.63 2b95 n ASN 74 N -4.36 1.18 -3.67 1.46 4.13 -1.20 -5.00 115.26 107.80 2b95 n ASN 74 Ca -0.01 1.06 -0.11 0.00 1.68 0.00 0.00 54.58 57.20 2b95 n ASN 74 Cb 0.20 -1.33 -0.08 0.00 -1.54 0.00 0.00 39.78 37.03 2b95 n ASN 74 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2b95 s ASP 75 N -0.70 -0.69 -0.16 6.41 -1.08 -1.26 -4.91 116.67 114.28 2b95 s ASP 75 Ca 0.62 1.23 -0.29 0.00 -0.52 0.00 0.00 52.55 53.59 2b95 s ASP 75 Cb -0.59 1.18 -0.02 0.00 -1.46 0.00 0.00 42.92 42.04 2b95 s ASP 75 CO 0.58 -0.21 1.32 -0.76 0.52 0.00 0.00 175.17 176.62 2b95 s LEU 76 N 0.86 4.18 -0.00 -1.34 2.01 -1.26 -4.84 118.68 118.28 2b95 s LEU 76 Ca -0.04 1.74 0.01 0.00 0.01 0.00 0.00 54.13 55.85 2b95 s LEU 76 Cb -0.05 -3.54 0.01 0.00 0.01 0.00 0.00 46.19 42.62 2b95 s LEU 76 CO -0.07 -0.81 0.72 1.07 1.01 0.00 0.00 176.35 178.27 2b95 n THR 77 N 5.44 0.39 -3.33 5.49 5.66 -1.26 -4.72 114.28 121.96 2b95 n THR 77 Ca 0.14 -0.41 0.03 0.00 -3.05 0.00 0.00 64.05 60.76 2b95 n THR 77 Cb 0.45 0.76 -0.04 0.00 -1.55 0.00 0.00 70.33 69.94 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 -0.43 -0.28 -0.21 1.09 5.36 -1.26 -4.67 117.98 117.58 2b95 s PHE 78 Ca 0.01 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 2b95 s PHE 78 Cb 0.01 0.17 0.05 0.00 -0.34 0.00 0.00 43.02 42.91 2b95 s PHE 78 CO 0.00 -0.14 -0.06 -0.51 -1.46 0.00 0.00 175.22 173.05 2b95 s LEU 79 N 2.00 2.30 -0.19 6.12 1.02 0.87 -5.00 118.68 125.79 2b95 s LEU 79 Ca -0.02 -1.01 0.01 0.00 0.02 0.00 0.00 54.13 53.13 2b95 s LEU 79 Cb -0.03 -1.14 0.03 0.00 0.02 0.00 0.00 46.19 45.08 2b95 s LEU 79 CO -0.16 -0.21 -0.17 -0.60 0.02 0.00 0.00 176.35 175.23 2b95 s ARG 80 N 1.44 2.75 -0.36 1.70 3.52 -1.26 -1.17 118.95 125.57 2b95 s ARG 80 Ca -0.03 -0.90 0.01 0.00 -0.13 0.00 0.00 55.73 54.68 2b95 s ARG 80 Cb -0.18 -2.58 0.10 0.00 -1.56 0.00 0.00 34.95 30.73 2b95 s ARG 80 CO -0.07 -0.29 0.09 0.42 -0.81 0.00 0.00 175.30 174.65 2b95 s ILE 81 N 1.28 2.67 -0.55 4.11 1.01 -1.22 -5.03 121.20 123.47 2b95 s ILE 81 Ca 0.02 -2.16 -0.28 0.00 0.00 0.00 0.00 60.65 58.23 2b95 s ILE 81 Cb -0.14 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.48 2b95 s ILE 81 CO -0.11 -0.58 1.19 -0.60 0.00 0.00 0.00 174.94 174.84 2b95 s ARG 82 N 1.01 3.55 0.01 2.79 3.00 -1.26 -3.14 118.95 124.92 2b95 s ARG 82 Ca 0.08 0.34 0.00 0.00 -1.00 0.00 0.00 55.73 55.15 2b95 s ARG 82 Cb -0.20 -4.00 0.00 0.00 0.00 0.00 0.00 34.95 30.75 2b95 s ARG 82 CO -0.06 -1.63 0.02 0.43 0.00 0.00 0.00 175.30 174.06 2b95 n SER 83 N 8.37 0.04 0.04 -2.12 7.64 -1.22 -5.01 113.62 121.35 2b95 n SER 83 Ca 0.10 -1.03 -0.00 0.00 1.01 0.00 0.00 58.87 58.95 2b95 n SER 83 Cb 0.49 -0.01 -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 -0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2b95 h LYS 84 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2b95 h LYS 84 CO 0.01 0.33 -0.93 0.87 -0.57 0.00 0.00 179.45 179.15 2b95 h LYS 85 N 0.00 0.20 -1.07 3.15 1.79 -2.00 -3.50 116.57 115.14 2b95 h LYS 85 Ca -0.14 -0.34 0.34 0.00 -2.18 0.00 0.00 60.65 58.33 2b95 h LYS 85 Cb 1.57 0.13 -0.19 0.00 -1.58 0.00 0.00 32.23 32.16 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 -6.85 -0.02 0.27 0.86 2.20 -1.26 -4.84 114.94 105.30 2b95 s ASN 86 Ca -0.18 -0.01 -0.25 0.00 -0.94 0.00 0.00 52.86 51.48 2b95 s ASN 86 Cb 0.02 0.02 -0.09 0.00 -2.00 0.00 0.00 41.25 39.20 2b95 s ASN 86 CO 0.76 -0.04 0.87 -1.83 -2.94 0.00 0.00 177.10 173.92 2b95 s GLU 87 N -2.07 4.54 -0.34 3.55 -1.05 0.18 -3.41 118.70 120.11 2b95 s GLU 87 Ca 0.12 1.22 0.02 0.00 -0.15 0.00 0.00 54.97 56.18 2b95 s GLU 87 Cb 0.01 -2.94 0.10 0.00 -0.44 0.00 0.00 34.13 30.87 2b95 s GLU 87 CO -0.03 0.37 0.10 0.42 0.95 0.00 0.00 175.26 177.06 2b95 s ILE 88 N -1.48 1.54 -0.09 1.83 1.09 -1.19 -1.98 121.20 120.93 2b95 s ILE 88 Ca 0.45 -1.94 -0.26 0.00 -1.10 0.00 0.00 60.65 57.81 2b95 s ILE 88 Cb -0.20 -2.14 -0.02 0.00 -1.06 0.00 0.00 42.46 39.04 2b95 s ILE 88 CO 0.24 -0.67 0.84 -0.04 -0.10 0.00 0.00 174.94 175.22 2b95 s MET 89 N 1.17 4.41 -0.10 2.79 -1.94 0.05 -3.41 119.30 122.26 2b95 s MET 89 Ca 0.11 1.10 -0.08 0.00 -1.71 0.00 0.00 55.69 55.11 2b95 s MET 89 Cb -0.19 -3.50 0.03 0.00 2.01 0.00 0.00 34.83 33.18 2b95 s MET 89 CO -0.16 -0.14 0.26 0.08 -0.01 0.00 0.00 175.02 175.06 2b95 s VAL 90 N 1.44 -0.01 0.14 -6.03 1.01 -0.32 -0.81 120.40 115.82 2b95 s VAL 90 Ca 0.42 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 2b95 s VAL 90 Cb -0.18 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 35.88 2b95 s VAL 90 CO 0.18 0.02 0.51 0.00 0.00 0.00 0.00 175.10 175.81 2b95 s ALA 91 N 0.57 -1.29 0.06 5.51 0.00 -1.23 -0.09 121.76 125.28 2b95 s ALA 91 Ca -0.04 0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.87 2b95 s ALA 91 Cb -0.05 0.78 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 2b95 s ALA 91 CO -0.03 -0.70 1.41 -1.25 0.00 0.00 0.00 175.76 175.18 2b95 s PRO 92 N -3.72 4.30 0.00 0.00 0.04 -1.26 -3.48 135.00 130.87 2b95 s PRO 92 Ca 0.02 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2b95 s PRO 92 Cb 0.00 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2b95 s PRO 92 CO -0.12 -0.52 0.00 -3.47 0.04 0.00 0.00 177.00 172.93 2b95 n ASP 93 N 4.74 0.69 -0.08 6.66 -0.08 -0.15 -5.00 116.55 123.33 2b95 n ASP 93 Ca 0.12 -0.87 -0.07 0.00 -1.51 0.00 0.00 54.79 52.46 2b95 n ASP 93 Cb 0.43 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.88 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 -0.19 0.00 -0.67 1.57 -2.02 -3.37 116.57 111.90 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 -0.17 -0.25 -0.57 0.00 0.00 179.45 178.34 2b95 n ASP 95 N -5.37 0.00 -3.62 0.86 8.00 -1.26 -5.13 116.55 110.03 2b95 n ASP 95 Ca 0.00 -1.33 -0.15 0.00 0.71 0.00 0.00 54.79 54.03 2b95 n ASP 95 Cb 0.29 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2b95 s TYR 96 N 0.00 1.19 -0.26 1.24 1.13 -1.26 -2.07 117.35 117.32 2b95 s TYR 96 Ca 0.00 -1.35 0.02 0.00 -1.41 0.00 0.00 57.07 54.34 2b95 s TYR 96 Cb 0.00 -0.34 0.06 0.00 -1.10 0.00 0.00 41.96 40.58 2b95 s TYR 96 CO 0.00 -0.92 -0.09 -0.06 -2.51 0.00 0.00 175.55 171.97 2b95 s PHE 97 N -3.57 3.07 0.31 -3.49 0.08 0.94 -0.98 117.98 114.35 2b95 s PHE 97 Ca 0.34 -2.21 -0.27 0.00 0.12 0.00 0.00 56.93 54.92 2b95 s PHE 97 Cb 0.02 -1.87 -0.09 0.00 -0.57 0.00 0.00 43.02 40.51 2b95 s PHE 97 CO 0.19 -0.86 1.01 -1.17 -0.10 0.00 0.00 175.22 174.29 2b95 s LEU 98 N 1.17 4.41 -0.25 -0.37 0.20 -1.23 -2.98 118.68 119.63 2b95 s LEU 98 Ca -0.08 2.02 -0.04 0.00 0.69 0.00 0.00 54.13 56.73 2b95 s LEU 98 Cb -0.20 -3.88 0.08 0.00 -0.43 0.00 0.00 46.19 41.77 2b95 s LEU 98 CO -0.05 -0.15 0.10 -0.63 -0.29 0.00 0.00 176.35 175.33 2b95 s ILE 99 N -1.42 0.18 -0.34 6.68 1.09 -0.75 -3.50 121.20 123.14 2b95 s ILE 99 Ca 0.49 -0.70 -0.10 0.00 -1.10 0.00 0.00 60.65 59.25 2b95 s ILE 99 Cb -0.24 -1.01 0.01 0.00 -1.06 0.00 0.00 42.46 40.16 2b95 s ILE 99 CO 0.31 -0.53 0.17 -0.69 -0.10 0.00 0.00 174.94 174.09 2b95 s VAL 100 N 1.99 4.49 -0.16 2.92 1.01 0.01 -1.61 120.40 129.04 2b95 s VAL 100 Ca 0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2b95 s VAL 100 Cb -0.16 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2b95 s VAL 100 CO -0.24 -0.08 -0.05 -0.63 0.00 0.00 0.00 175.10 174.10 2b95 s ILE 101 N 1.57 3.68 0.19 2.22 1.01 -0.78 -0.77 121.20 128.31 2b95 s ILE 101 Ca 0.03 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 2b95 s ILE 101 Cb -0.18 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.73 2b95 s ILE 101 CO 0.06 0.48 0.91 0.00 0.00 0.00 0.00 174.94 176.39 2b95 s GLN 102 N 0.57 1.37 0.96 2.79 -2.07 -0.84 -0.11 119.66 122.34 2b95 s GLN 102 Ca -0.04 -0.77 -0.13 0.00 -1.82 0.00 0.00 55.36 52.60 2b95 s GLN 102 Cb -0.15 0.46 0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2b95 s GLN 102 CO 0.03 -0.63 0.36 0.09 -1.32 0.00 0.00 175.29 173.82 2b95 n ASN 103 N -0.54 -2.15 -4.77 12.60 3.02 -1.10 -0.64 115.26 121.68 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 -1.18 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 -3.61 3.36 -0.11 3.52 0.04 -1.26 -4.39 135.00 132.56 2b95 s PRO 104 Ca 0.57 1.62 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 -0.84 -0.04 0.25 0.04 0.00 0.00 177.00 177.09 2b95 n THR 105 N -1.28 0.72 0.00 1.26 -2.24 -1.26 -5.03 114.28 106.44 2b95 n THR 105 Ca 0.12 -0.36 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 -0.62 -0.57 0.00 0.00 175.07 173.88