#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 -0.23 -5.12 0.00 -2.05 -1.26 119.26 112.14 2b95 h ALA 12 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2b95 h ALA 12 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2b95 h ALA 12 CO 0.00 -0.03 -0.18 1.49 0.00 0.00 0.00 179.25 180.53 2b95 h GLU 13 N 0.75 -0.17 -0.56 0.00 4.81 -2.06 0.20 114.58 117.55 2b95 h GLU 13 Ca 0.54 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.71 2b95 h GLU 13 Cb 0.79 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 2b95 h GLU 13 CO -0.37 -0.11 0.08 0.28 -0.73 0.00 0.00 179.01 178.16 2b95 h VAL 14 N -0.17 1.24 -0.73 0.32 2.07 -1.73 -2.66 116.25 114.59 2b95 h VAL 14 Ca 0.13 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 2b95 h VAL 14 Cb 0.37 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2b95 h VAL 14 CO -0.33 0.35 0.24 -0.33 0.02 0.00 0.00 177.57 177.52 2b95 h GLU 15 N 0.85 1.12 -0.39 1.57 5.08 -0.33 0.22 114.58 122.71 2b95 h GLU 15 Ca 0.17 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2b95 h GLU 15 Cb 0.40 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2b95 h GLU 15 CO 0.01 0.95 -0.01 1.49 -1.00 0.00 0.00 179.01 180.45 2b95 h GLU 16 N 1.08 0.62 0.00 2.33 4.22 -0.36 -1.74 114.58 120.73 2b95 h GLU 16 Ca 0.24 -0.15 -0.11 0.00 0.08 0.00 0.00 59.36 59.42 2b95 h GLU 16 Cb 0.28 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2b95 h GLU 16 CO -0.01 0.65 -0.54 1.15 -2.18 0.00 0.00 179.01 178.07 2b95 h THR 17 N 0.59 0.83 -0.01 0.32 2.02 -1.13 -3.24 112.91 112.30 2b95 h THR 17 Ca 0.12 -2.19 -0.19 0.00 0.77 0.00 0.00 66.41 64.93 2b95 h THR 17 Cb 0.38 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 2b95 h THR 17 CO 0.01 0.47 -0.83 -0.07 0.37 0.00 0.00 175.52 175.48 2b95 h LEU 18 N 0.00 0.22 0.08 2.58 4.07 -0.50 -2.37 115.31 119.39 2b95 h LEU 18 Ca -0.01 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.77 2b95 h LEU 18 Cb 1.39 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.06 2b95 h LEU 18 CO 0.06 0.95 -0.04 0.11 -1.08 0.00 0.00 178.44 178.44 2b95 h LYS 19 N 0.10 -0.11 -0.09 1.13 1.79 -1.37 0.01 116.57 118.04 2b95 h LYS 19 Ca -0.03 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 2b95 h LYS 19 Cb 1.43 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.10 2b95 h LYS 19 CO 0.12 0.22 -0.25 0.07 -1.08 0.00 0.00 179.45 178.53 2b95 h ARG 20 N -0.45 0.15 0.31 3.15 0.11 -1.63 -1.62 114.38 114.39 2b95 h ARG 20 Ca -0.01 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 2b95 h ARG 20 Cb 0.38 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.45 2b95 h ARG 20 CO 0.02 0.40 -0.15 -0.07 0.10 0.00 0.00 179.97 180.27 2b95 h LEU 21 N 0.14 -0.35 -2.08 0.08 4.07 -1.33 -2.32 115.31 113.52 2b95 h LEU 21 Ca 0.02 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2b95 h LEU 21 Cb 0.53 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2b95 h LEU 21 CO 0.04 0.11 0.00 -0.61 -1.08 0.00 0.00 178.44 176.90 2b95 h GLN 22 N -0.97 0.00 0.02 1.13 5.75 -0.97 -1.13 115.11 118.94 2b95 h GLN 22 Ca -0.04 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.21 2b95 h GLN 22 Cb 0.50 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 2b95 h GLN 22 CO 0.07 0.00 -1.28 0.77 -2.65 0.00 0.00 178.83 175.74 2b95 h SER 23 N 0.00 0.08 -3.45 -0.69 0.02 -1.23 -3.46 113.55 104.82 2b95 h SER 23 Ca 0.00 -0.11 -0.52 0.00 -0.84 0.00 0.00 61.79 60.33 2b95 h SER 23 Cb 0.08 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2b95 h SER 23 CO 0.00 1.09 -0.04 0.00 -1.14 0.00 0.00 176.83 176.73 2b95 s GLN 24 N -2.66 3.75 0.24 3.45 -2.07 -0.43 -5.06 119.66 116.88 2b95 s GLN 24 Ca -0.02 0.27 -0.30 0.00 -1.82 0.00 0.00 55.36 53.48 2b95 s GLN 24 Cb 0.09 -2.56 -0.09 0.00 -1.09 0.00 0.00 33.01 29.36 2b95 s GLN 24 CO 0.83 0.17 0.98 0.21 -1.32 0.00 0.00 175.29 176.16 2b95 s LYS 25 N -3.36 4.79 0.00 9.60 2.20 -1.26 -3.97 119.74 127.73 2b95 s LYS 25 Ca 0.48 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 2b95 s LYS 25 Cb -0.11 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2b95 s LYS 25 CO 0.27 0.42 0.00 0.41 -0.36 0.00 0.00 175.35 176.08 2b95 n GLY 26 N 1.51 3.19 3.60 5.54 0.00 -1.26 -4.99 105.19 112.78 2b95 n GLY 26 Ca -0.01 -1.09 -0.44 0.00 0.00 0.00 0.00 46.02 44.48 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 0.41 0.09 1.61 0.31 -1.25 -1.82 118.33 117.67 2b95 n VAL 27 Ca 0.00 -0.37 -0.08 0.00 -0.01 0.00 0.00 64.34 63.88 2b95 n VAL 27 Cb 0.00 -2.40 -0.04 0.00 -0.91 0.00 0.00 33.84 30.50 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 13.75 0.12 0.00 5.55 7.50 -0.83 -3.47 115.11 137.72 2b95 h GLN 28 Ca -0.42 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 58.59 2b95 h GLN 28 Cb 1.25 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.83 2b95 h GLN 28 CO 0.96 0.95 0.00 0.41 -1.50 0.00 0.00 178.83 179.66 2b95 n GLY 29 N 1.02 3.95 3.47 3.46 0.00 -1.11 -4.82 105.19 111.16 2b95 n GLY 29 Ca -0.03 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.09 3.39 0.04 -0.61 1.09 -1.26 -1.71 121.20 121.05 2b95 s ILE 30 Ca 0.00 -0.56 0.06 0.00 -1.10 0.00 0.00 60.65 59.05 2b95 s ILE 30 Cb 0.00 -2.41 -0.02 0.00 -1.06 0.00 0.00 42.46 38.96 2b95 s ILE 30 CO 0.00 0.55 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.59 2b95 s ILE 31 N -0.11 1.35 -0.11 2.92 1.01 -0.12 -1.76 121.20 124.39 2b95 s ILE 31 Ca -0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 60.65 59.56 2b95 s ILE 31 Cb -0.13 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2b95 s ILE 31 CO 0.03 0.09 -0.08 -0.69 0.00 0.00 0.00 174.94 174.29 2b95 s VAL 32 N -0.83 1.06 -0.04 2.92 1.01 0.84 -1.18 120.40 124.17 2b95 s VAL 32 Ca 0.04 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.75 2b95 s VAL 32 Cb -0.08 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2b95 s VAL 32 CO 0.02 0.37 -0.17 -0.69 0.00 0.00 0.00 175.10 174.62 2b95 s VAL 33 N 1.63 2.79 0.34 2.92 1.01 -1.15 -0.89 120.40 127.05 2b95 s VAL 33 Ca 0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 2b95 s VAL 33 Cb -0.13 -2.07 0.07 0.00 0.00 0.00 0.00 36.38 34.26 2b95 s VAL 33 CO -0.08 0.59 0.47 -0.46 0.00 0.00 0.00 175.10 175.62 2b95 n ASN 34 N 2.39 0.42 -0.30 3.32 0.23 -0.91 -0.09 115.26 120.32 2b95 n ASN 34 Ca -0.17 -1.40 -0.05 0.00 -0.53 0.00 0.00 54.58 52.43 2b95 n ASN 34 Cb 0.52 -0.32 0.07 0.00 -2.08 0.00 0.00 39.78 37.97 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 -0.73 1.24 0.00 5.53 1.35 -1.79 -1.82 112.91 116.70 2b95 h THR 35 Ca -0.15 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 65.10 2b95 h THR 35 Cb 0.52 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.07 2b95 h THR 35 CO 0.14 0.27 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.29 2b95 h GLU 36 N 1.14 0.00 0.00 4.72 5.08 -1.94 -3.46 114.58 120.13 2b95 h GLU 36 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2b95 h GLU 36 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2b95 h GLU 36 CO -0.05 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 2b95 n GLY 37 N -1.20 1.11 3.75 -3.84 0.00 -0.68 -5.09 105.19 99.24 2b95 n GLY 37 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 5.18 -1.14 -0.61 1.01 -1.26 -4.80 121.20 117.58 2b95 s ILE 38 Ca 0.00 0.80 -0.23 0.00 0.00 0.00 0.00 60.65 61.22 2b95 s ILE 38 Cb 0.00 -3.73 -0.08 0.00 0.01 0.00 0.00 42.46 38.66 2b95 s ILE 38 CO 0.00 0.41 1.94 -2.16 0.00 0.00 0.00 174.94 175.13 2b95 s PRO 39 N 0.12 2.50 0.42 2.79 0.04 -1.26 -2.14 135.00 137.47 2b95 s PRO 39 Ca 0.23 -1.04 0.19 0.00 0.04 0.00 0.00 61.00 60.42 2b95 s PRO 39 Cb -0.15 -5.22 1.13 0.00 0.04 0.00 0.00 34.50 30.30 2b95 s PRO 39 CO 0.09 -3.91 1.81 -0.84 0.04 0.00 0.00 177.00 174.19 2b95 h ILE 40 N 6.33 0.57 -3.07 0.56 3.07 -1.38 -3.42 117.51 120.18 2b95 h ILE 40 Ca 0.20 -0.13 -0.12 0.00 1.55 0.00 0.00 64.86 66.36 2b95 h ILE 40 Cb 0.95 0.17 -0.20 0.00 -0.27 0.00 0.00 36.82 37.47 2b95 h ILE 40 CO 1.22 0.07 -0.28 -0.75 -1.05 0.00 0.00 178.15 177.35 2b95 s LYS 41 N -5.43 0.67 -0.12 0.16 2.36 -1.12 -5.02 119.74 111.25 2b95 s LYS 41 Ca -0.08 -0.22 -0.30 0.00 -2.55 0.00 0.00 55.97 52.81 2b95 s LYS 41 Cb 0.24 0.29 0.11 0.00 -1.05 0.00 0.00 37.83 37.43 2b95 s LYS 41 CO 0.79 -0.18 0.93 -1.54 1.55 0.00 0.00 175.35 176.90 2b95 s SER 42 N -1.38 -0.41 0.00 1.43 1.04 -1.26 -0.11 113.70 113.01 2b95 s SER 42 Ca -0.13 0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.71 2b95 s SER 42 Cb -0.05 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2b95 s SER 42 CO 0.04 -0.43 0.25 0.35 0.98 0.00 0.00 173.24 174.43 2b95 n THR 43 N 0.59 0.00 -1.29 2.02 -2.24 -0.72 -5.00 114.28 107.64 2b95 n THR 43 Ca -0.11 -0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 61.17 2b95 n THR 43 Cb 0.58 1.02 0.03 0.00 -2.10 0.00 0.00 70.33 69.86 2b95 n THR 43 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2b95 n MET 44 N -0.72 -0.12 -1.12 -0.78 2.81 -1.26 -4.89 117.12 111.03 2b95 n MET 44 Ca 0.01 -0.35 -0.29 0.00 -1.81 0.00 0.00 57.70 55.27 2b95 n MET 44 Cb 0.05 -0.21 0.19 0.00 -0.71 0.00 0.00 33.22 32.54 2b95 n MET 44 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2b95 s ASP 45 N -1.77 2.30 0.02 7.83 2.15 -1.26 -4.78 116.67 121.16 2b95 s ASP 45 Ca 0.12 1.14 -0.28 0.00 0.43 0.00 0.00 52.55 53.97 2b95 s ASP 45 Cb -0.00 -1.79 -0.16 0.00 -0.30 0.00 0.00 42.92 40.66 2b95 s ASP 45 CO 0.08 -3.33 1.24 -1.13 -0.17 0.00 0.00 175.17 171.87 2b95 h ASN 46 N -2.03 -0.68 0.74 -0.34 -0.00 -1.99 -0.33 115.58 110.95 2b95 h ASN 46 Ca -0.55 -0.03 -0.05 0.00 -0.00 0.00 0.00 56.30 55.67 2b95 h ASN 46 Cb 1.33 0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 39.82 2b95 h ASN 46 CO 0.56 -0.33 -0.25 1.55 -0.00 0.00 0.00 177.43 178.96 2b95 h PRO 47 N -1.05 0.00 0.05 6.67 0.13 -2.00 -2.82 132.00 132.97 2b95 h PRO 47 Ca -0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.79 2b95 h PRO 47 Cb 0.67 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.81 2b95 h PRO 47 CO 0.13 0.25 -1.08 1.15 -0.23 0.00 0.00 178.00 178.22 2b95 h THR 48 N 0.00 1.37 0.07 1.56 2.02 -1.92 -2.82 112.91 113.19 2b95 h THR 48 Ca -0.00 -2.51 -0.00 0.00 0.77 0.00 0.00 66.41 64.66 2b95 h THR 48 Cb 0.68 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 2b95 h THR 48 CO 0.03 0.75 -0.03 0.74 0.37 0.00 0.00 175.52 177.38 2b95 h THR 49 N 0.24 1.16 -0.03 3.16 2.02 -0.93 -2.09 112.91 116.44 2b95 h THR 49 Ca -0.12 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.24 2b95 h THR 49 Cb 1.74 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.83 2b95 h THR 49 CO 0.19 0.21 -0.08 0.74 0.37 0.00 0.00 175.52 176.95 2b95 h THR 50 N -0.48 0.78 -0.62 3.16 2.02 -1.62 0.21 112.91 116.36 2b95 h THR 50 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 2b95 h THR 50 Cb 0.41 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 2b95 h THR 50 CO 0.02 0.00 0.28 -0.61 0.37 0.00 0.00 175.52 175.58 2b95 h GLN 51 N -0.13 0.50 0.23 6.66 -0.00 -1.55 0.15 115.11 120.97 2b95 h GLN 51 Ca 0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2b95 h GLN 51 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.56 2b95 h GLN 51 CO -0.11 0.33 -0.11 1.88 0.00 0.00 0.00 178.83 180.82 2b95 h TYR 52 N 0.51 -0.28 0.00 3.99 -1.99 -0.98 -2.42 116.97 115.80 2b95 h TYR 52 Ca 0.30 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.02 2b95 h TYR 52 Cb 0.29 0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.12 2b95 h TYR 52 CO -0.13 0.02 0.00 0.00 -0.00 0.00 0.00 178.16 178.05 2b95 h ALA 53 N 0.10 1.00 0.14 3.88 0.00 -0.30 0.27 119.26 124.35 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 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2b95 h ALA 53 CO 0.05 0.00 -0.07 0.77 0.00 0.00 0.00 179.25 180.00 2b95 h SER 54 N 0.00 -0.16 1.27 0.00 0.02 -0.36 -3.20 113.55 111.12 2b95 h SER 54 Ca 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2b95 h SER 54 Cb 0.03 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2b95 h SER 54 CO 0.00 0.35 0.00 0.17 -1.14 0.00 0.00 176.83 176.21 2b95 h LEU 55 N -1.03 0.00 0.54 5.07 8.10 -1.21 -3.21 115.31 123.57 2b95 h LEU 55 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.94 2b95 h LEU 55 Cb 0.25 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.48 2b95 h LEU 55 CO 0.03 0.00 -0.26 0.24 -4.11 0.00 0.00 178.44 174.34 2b95 h MET 56 N 0.00 -0.70 -0.78 0.17 2.86 -0.56 0.25 114.93 116.17 2b95 h MET 56 Ca 0.00 0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.85 2b95 h MET 56 Cb 0.64 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 32.41 2b95 h MET 56 CO 0.00 -0.47 0.52 1.25 1.06 0.00 0.00 176.91 179.27 2b95 h HIS 57 N -0.86 0.45 0.00 -0.22 -0.00 -1.63 0.26 115.15 113.16 2b95 h HIS 57 Ca -0.07 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.21 2b95 h HIS 57 Cb 0.56 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 2b95 h HIS 57 CO 0.06 0.16 -0.49 1.03 -0.00 0.00 0.00 177.93 178.69 2b95 h SER 58 N 0.37 0.00 0.40 3.26 0.87 -1.54 -3.10 113.55 113.82 2b95 h SER 58 Ca 0.38 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 2b95 h SER 58 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2b95 h SER 58 CO -0.12 0.49 -0.19 0.15 -0.53 0.00 0.00 176.83 176.63 2b95 h PHE 59 N 0.00 -0.50 -0.75 2.24 3.57 0.31 -1.87 116.94 119.94 2b95 h PHE 59 Ca -0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.59 2b95 h PHE 59 Cb 1.23 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 40.05 2b95 h PHE 59 CO 0.00 -0.18 0.37 0.82 -2.23 0.00 0.00 178.31 177.09 2b95 h ILE 60 N -1.00 0.80 0.00 1.41 1.08 -1.52 0.16 117.51 118.45 2b95 h ILE 60 Ca -0.05 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 64.17 2b95 h ILE 60 Cb 0.54 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 2b95 h ILE 60 CO 0.09 0.11 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.41 2b95 h LEU 61 N 0.60 0.00 0.08 1.44 4.07 -1.58 0.14 115.31 120.05 2b95 h LEU 61 Ca 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.34 2b95 h LEU 61 Cb 0.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.20 2b95 h LEU 61 CO -0.30 0.18 -0.04 0.11 -1.08 0.00 0.00 178.44 177.31 2b95 h LYS 62 N 0.00 -0.10 -0.11 1.13 6.56 0.14 -2.89 116.57 121.29 2b95 h LYS 62 Ca -0.00 0.01 -0.12 0.00 -1.06 0.00 0.00 60.65 59.48 2b95 h LYS 62 Cb 0.48 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.15 2b95 h LYS 62 CO 0.02 0.45 -0.45 0.00 -2.06 0.00 0.00 179.45 177.41 2b95 h ALA 63 N -0.17 1.03 -0.73 3.86 0.00 -1.13 -3.00 119.26 119.12 2b95 h ALA 63 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2b95 h ALA 63 Cb 0.60 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2b95 h ALA 63 CO 0.02 0.62 0.36 -0.09 0.00 0.00 0.00 179.25 180.16 2b95 h ARG 64 N 0.22 1.05 0.00 0.00 2.43 -0.82 -0.17 114.38 117.08 2b95 h ARG 64 Ca 0.02 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 2b95 h ARG 64 Cb 0.88 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2b95 h ARG 64 CO 0.07 0.81 -0.18 1.03 -1.51 0.00 0.00 179.97 180.19 2b95 h SER 65 N 1.02 0.00 0.09 -3.80 0.87 -1.40 -2.66 113.55 107.66 2b95 h SER 65 Ca 0.25 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.68 2b95 h SER 65 Cb 0.10 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2b95 h SER 65 CO -0.03 0.18 -0.63 0.74 -0.53 0.00 0.00 176.83 176.56 2b95 h THR 66 N 0.00 1.53 -0.57 2.23 2.02 -1.23 -3.28 112.91 113.61 2b95 h THR 66 Ca -0.00 -2.45 0.03 0.00 0.77 0.00 0.00 66.41 64.76 2b95 h THR 66 Cb 0.60 3.17 -0.03 0.00 -1.74 0.00 0.00 68.15 70.15 2b95 h THR 66 CO 0.02 0.66 0.38 0.58 0.37 0.00 0.00 175.52 177.54 2b95 h VAL 67 N -0.60 1.09 0.00 3.16 2.07 -1.00 -0.38 116.25 120.59 2b95 h VAL 67 Ca -0.12 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2b95 h VAL 67 Cb 1.43 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2b95 h VAL 67 CO 0.08 0.13 -0.11 0.03 0.02 0.00 0.00 177.57 177.71 2b95 h ARG 68 N 0.69 0.00 0.00 1.57 -0.00 -1.58 -1.96 114.38 113.10 2b95 h ARG 68 Ca 0.22 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.63 2b95 h ARG 68 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.00 2b95 h ARG 68 CO -0.06 0.11 -0.35 0.22 0.00 0.00 0.00 179.97 179.89 2b95 h ASP 69 N 0.00 0.00 -0.42 7.04 1.82 -1.12 -3.13 116.42 120.61 2b95 h ASP 69 Ca -0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 2b95 h ASP 69 Cb 0.39 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 2b95 h ASP 69 CO 0.01 0.35 -0.13 0.40 -1.61 0.00 0.00 179.24 178.27 2b95 h ILE 70 N 0.00 1.26 -3.03 2.25 2.04 -1.33 -3.46 117.51 115.24 2b95 h ILE 70 Ca -0.00 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 2b95 h ILE 70 Cb 0.95 1.04 -0.12 0.00 -0.74 0.00 0.00 36.82 37.95 2b95 h ILE 70 CO 0.05 0.43 0.19 -1.81 0.00 0.00 0.00 178.15 177.00 2b95 s ASP 71 N -6.69 -0.53 0.00 1.72 1.01 -1.18 -5.07 116.67 105.94 2b95 s ASP 71 Ca -0.10 -0.06 -0.24 0.00 0.71 0.00 0.00 52.55 52.86 2b95 s ASP 71 Cb 0.13 0.60 -0.18 0.00 1.01 0.00 0.00 42.92 44.48 2b95 s ASP 71 CO 0.84 -0.98 1.30 1.55 0.21 0.00 0.00 175.17 178.09 2b95 h PRO 72 N 2.03 0.15 -4.05 8.23 0.13 -1.91 -3.38 132.00 133.20 2b95 h PRO 72 Ca -0.33 -0.08 -0.77 0.00 -0.87 0.00 0.00 66.00 63.95 2b95 h PRO 72 Cb 1.30 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.19 2b95 h PRO 72 CO 0.38 0.59 0.45 -0.65 -0.23 0.00 0.00 178.00 178.55 2b95 s GLN 73 N -4.27 3.83 0.22 0.86 -0.21 -1.26 -5.00 119.66 113.83 2b95 s GLN 73 Ca -0.15 -2.58 0.01 0.00 0.02 0.00 0.00 55.36 52.65 2b95 s GLN 73 Cb 0.03 -4.61 -0.05 0.00 1.00 0.00 0.00 33.01 29.38 2b95 s GLN 73 CO 0.71 -1.41 0.08 -0.80 -2.12 0.00 0.00 175.29 171.75 2b95 s ASN 74 N 2.23 0.97 -0.30 5.90 0.01 -1.26 -5.16 114.94 117.33 2b95 s ASN 74 Ca 0.27 -1.32 -0.19 0.00 -0.71 0.00 0.00 52.86 50.91 2b95 s ASN 74 Cb -0.08 0.20 0.20 0.00 0.41 0.00 0.00 41.25 41.97 2b95 s ASN 74 CO -0.08 -0.71 1.30 -0.62 -1.51 0.00 0.00 177.10 175.49 2b95 s ASP 75 N -3.24 -0.04 0.39 -1.22 -1.08 -1.26 -5.01 116.67 105.21 2b95 s ASP 75 Ca 0.34 0.05 -0.21 0.00 -0.52 0.00 0.00 52.55 52.21 2b95 s ASP 75 Cb 0.07 1.04 -0.10 0.00 -1.46 0.00 0.00 42.92 42.47 2b95 s ASP 75 CO 0.10 -0.01 0.90 -0.76 0.52 0.00 0.00 175.17 175.93 2b95 s LEU 76 N 1.86 4.04 -0.06 -1.34 2.01 -1.26 -4.99 118.68 118.95 2b95 s LEU 76 Ca -0.01 1.63 0.03 0.00 0.01 0.00 0.00 54.13 55.80 2b95 s LEU 76 Cb -0.01 -4.34 -0.06 0.00 0.01 0.00 0.00 46.19 41.79 2b95 s LEU 76 CO -0.15 -0.27 -0.01 0.35 1.01 0.00 0.00 176.35 177.28 2b95 n THR 77 N -0.34 0.40 -3.79 5.49 -2.24 -1.26 -4.85 114.28 107.68 2b95 n THR 77 Ca 0.05 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2b95 n THR 77 Cb 0.53 -0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 67.82 2b95 n THR 77 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2b95 s PHE 78 N -2.14 -0.24 -0.31 4.78 -0.71 -1.26 -4.29 117.98 113.80 2b95 s PHE 78 Ca -0.05 0.59 0.00 0.00 -1.04 0.00 0.00 56.93 56.43 2b95 s PHE 78 Cb 0.02 0.07 0.10 0.00 -1.21 0.00 0.00 43.02 42.00 2b95 s PHE 78 CO 0.21 -0.13 0.08 -1.17 -1.34 0.00 0.00 175.22 172.87 2b95 s LEU 79 N 0.28 2.88 0.08 -1.99 2.96 0.97 -4.98 118.68 118.88 2b95 s LEU 79 Ca -0.01 -1.73 0.06 0.00 -0.22 0.00 0.00 54.13 52.23 2b95 s LEU 79 Cb -0.03 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 2b95 s LEU 79 CO -0.01 -0.40 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.93 2b95 s ARG 80 N 1.43 2.21 -0.37 1.98 3.52 -1.26 -1.29 118.95 125.16 2b95 s ARG 80 Ca 0.09 -0.97 0.03 0.00 -0.13 0.00 0.00 55.73 54.75 2b95 s ARG 80 Cb -0.18 -2.34 0.15 0.00 -1.56 0.00 0.00 34.95 31.03 2b95 s ARG 80 CO -0.20 0.53 0.36 0.96 -0.81 0.00 0.00 175.30 176.14 2b95 s ILE 81 N -1.17 -0.29 -0.14 4.11 -4.36 -1.24 -5.02 121.20 113.09 2b95 s ILE 81 Ca 0.20 -1.06 -0.29 0.00 -0.26 0.00 0.00 60.65 59.25 2b95 s ILE 81 Cb -0.11 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.86 2b95 s ILE 81 CO 0.12 -0.62 1.30 0.00 0.24 0.00 0.00 174.94 175.98 2b95 s ARG 82 N 1.41 4.24 0.00 0.37 1.70 -1.26 -3.85 118.95 121.55 2b95 s ARG 82 Ca 0.17 1.72 0.00 0.00 -0.47 0.00 0.00 55.73 57.15 2b95 s ARG 82 Cb -0.16 -3.77 0.00 0.00 -0.57 0.00 0.00 34.95 30.45 2b95 s ARG 82 CO -0.03 -0.70 0.00 0.43 -1.08 0.00 0.00 175.30 173.92 2b95 n SER 83 N 6.54 0.07 0.15 -2.89 7.64 -0.96 -4.96 113.62 119.21 2b95 n SER 83 Ca 0.14 -1.01 0.13 0.00 1.01 0.00 0.00 58.87 59.14 2b95 n SER 83 Cb 0.45 -0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.93 2b95 n SER 83 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2b95 h LYS 84 N 0.00 0.00 0.00 1.43 1.57 -2.04 -3.35 116.57 114.18 2b95 h LYS 84 Ca -0.00 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 2b95 h LYS 84 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2b95 h LYS 84 CO 0.00 0.00 -1.97 1.63 -0.57 0.00 0.00 179.45 178.54 2b95 n LYS 85 N -2.60 0.58 -3.63 3.15 4.76 -1.26 -5.08 118.16 114.08 2b95 n LYS 85 Ca 0.05 0.40 -0.03 0.00 -2.87 0.00 0.00 58.31 55.86 2b95 n LYS 85 Cb 0.47 -1.61 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 2b95 n LYS 85 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2b95 s ASN 86 N -7.21 -0.17 0.16 4.39 4.22 -1.26 -4.63 114.94 110.44 2b95 s ASN 86 Ca -0.34 -0.17 -0.04 0.00 -2.14 0.00 0.00 52.86 50.17 2b95 s ASN 86 Cb 0.11 0.30 -0.05 0.00 1.28 0.00 0.00 41.25 42.89 2b95 s ASN 86 CO 0.54 -0.53 0.38 -1.61 -2.04 0.00 0.00 177.10 173.83 2b95 s GLU 87 N -2.82 3.59 -0.25 3.55 2.02 -0.93 -2.27 118.70 121.58 2b95 s GLU 87 Ca 0.11 -0.16 -0.03 0.00 0.02 0.00 0.00 54.97 54.91 2b95 s GLU 87 Cb 0.01 -2.85 0.08 0.00 0.10 0.00 0.00 34.13 31.48 2b95 s GLU 87 CO -0.03 0.45 0.10 0.42 0.02 0.00 0.00 175.26 176.22 2b95 s ILE 88 N -1.72 0.18 0.10 -1.63 1.01 -1.25 -2.51 121.20 115.38 2b95 s ILE 88 Ca 0.40 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 2b95 s ILE 88 Cb -0.12 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 2b95 s ILE 88 CO 0.26 -0.54 1.11 -0.04 0.00 0.00 0.00 174.94 175.73 2b95 s MET 89 N 1.99 4.53 -0.14 2.79 -1.94 -1.02 -3.68 119.30 121.83 2b95 s MET 89 Ca 0.06 1.68 -0.04 0.00 -1.71 0.00 0.00 55.69 55.67 2b95 s MET 89 Cb -0.16 -3.34 0.07 0.00 2.01 0.00 0.00 34.83 33.41 2b95 s MET 89 CO -0.24 -0.07 0.24 0.08 -0.01 0.00 0.00 175.02 175.02 2b95 s VAL 90 N 0.49 -0.38 0.04 -6.03 1.01 -0.42 -2.51 120.40 112.60 2b95 s VAL 90 Ca 0.53 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.75 2b95 s VAL 90 Cb -0.28 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2b95 s VAL 90 CO 0.31 0.06 -0.08 0.00 0.00 0.00 0.00 175.10 175.40 2b95 s ALA 91 N 2.39 0.56 -0.45 5.51 0.00 -1.23 -0.02 121.76 128.51 2b95 s ALA 91 Ca 0.03 -0.72 -0.28 0.00 0.00 0.00 0.00 51.96 50.99 2b95 s ALA 91 Cb -0.13 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2b95 s ALA 91 CO -0.09 -0.01 1.76 -1.25 0.00 0.00 0.00 175.76 176.17 2b95 s PRO 92 N -1.45 3.11 0.00 0.00 0.04 -1.26 -3.52 135.00 131.91 2b95 s PRO 92 Ca -0.09 1.04 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2b95 s PRO 92 Cb -0.09 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2b95 s PRO 92 CO 0.00 -2.14 0.00 -3.47 0.04 0.00 0.00 177.00 171.44 2b95 n ASP 93 N 10.96 0.00 -0.09 6.66 -0.08 0.72 -4.95 116.55 129.77 2b95 n ASP 93 Ca 0.21 -0.82 -0.07 0.00 -1.51 0.00 0.00 54.79 52.60 2b95 n ASP 93 Cb 0.49 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.95 2b95 n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2b95 h LYS 94 N 0.00 -0.17 0.00 -0.67 1.57 -2.02 -3.36 116.57 111.91 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 -0.12 -0.17 -0.40 -0.57 0.00 0.00 179.45 178.19 2b95 n ASP 95 N -5.38 0.00 -3.83 0.86 5.68 -1.26 -5.12 116.55 107.50 2b95 n ASP 95 Ca 0.01 -1.35 -0.14 0.00 -0.50 0.00 0.00 54.79 52.81 2b95 n ASP 95 Cb 0.29 -0.07 -0.08 0.00 -1.14 0.00 0.00 41.12 40.13 2b95 n ASP 95 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2b95 s TYR 96 N 0.00 1.16 -0.29 2.11 1.13 -1.26 -2.17 117.35 118.03 2b95 s TYR 96 Ca 0.00 -1.33 0.03 0.00 -1.41 0.00 0.00 57.07 54.36 2b95 s TYR 96 Cb 0.00 -0.40 0.07 0.00 -1.10 0.00 0.00 41.96 40.53 2b95 s TYR 96 CO 0.00 -0.83 -0.05 -0.06 -2.51 0.00 0.00 175.55 172.11 2b95 s PHE 97 N -3.80 3.45 0.07 -3.49 0.08 0.88 -0.20 117.98 114.97 2b95 s PHE 97 Ca 0.35 -2.57 -0.30 0.00 0.12 0.00 0.00 56.93 54.53 2b95 s PHE 97 Cb 0.04 -2.31 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 2b95 s PHE 97 CO 0.16 -0.90 1.13 -1.17 -0.10 0.00 0.00 175.22 174.34 2b95 s LEU 98 N 1.03 4.39 -0.09 -0.37 0.20 -1.23 -2.92 118.68 119.69 2b95 s LEU 98 Ca -0.02 1.94 0.01 0.00 0.69 0.00 0.00 54.13 56.76 2b95 s LEU 98 Cb -0.20 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 42.00 2b95 s LEU 98 CO -0.06 -0.37 -0.10 -0.63 -0.29 0.00 0.00 176.35 174.90 2b95 s ILE 99 N 0.81 1.06 -0.18 6.68 1.09 -0.33 -3.57 121.20 126.76 2b95 s ILE 99 Ca 0.55 -0.37 -0.01 0.00 -1.10 0.00 0.00 60.65 59.73 2b95 s ILE 99 Cb -0.27 -1.02 0.05 0.00 -1.06 0.00 0.00 42.46 40.15 2b95 s ILE 99 CO 0.30 0.36 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.77 2b95 s VAL 100 N 1.21 1.03 -0.11 2.92 1.01 -1.04 -0.94 120.40 124.47 2b95 s VAL 100 Ca -0.04 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 2b95 s VAL 100 Cb -0.14 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2b95 s VAL 100 CO -0.03 0.02 0.10 -0.63 0.00 0.00 0.00 175.10 174.57 2b95 s ILE 101 N 1.65 5.17 0.02 2.22 1.01 -0.69 -2.43 121.20 128.15 2b95 s ILE 101 Ca -0.01 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 2b95 s ILE 101 Cb -0.16 -3.24 0.10 0.00 0.01 0.00 0.00 42.46 39.17 2b95 s ILE 101 CO -0.07 0.61 1.02 0.00 0.00 0.00 0.00 174.94 176.49 2b95 s GLN 102 N -1.01 0.81 0.97 2.79 -2.07 -1.04 -0.09 119.66 120.03 2b95 s GLN 102 Ca 0.15 -0.38 -0.14 0.00 -1.82 0.00 0.00 55.36 53.17 2b95 s GLN 102 Cb -0.12 0.32 0.04 0.00 -1.09 0.00 0.00 33.01 32.16 2b95 s GLN 102 CO 0.04 -0.37 0.31 0.09 -1.32 0.00 0.00 175.29 174.04 2b95 n ASN 103 N -0.34 -2.26 -4.77 12.60 3.02 -0.76 -2.19 115.26 120.56 2b95 n ASN 103 Ca -0.07 0.27 -0.36 0.00 -0.03 0.00 0.00 54.58 54.40 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 -3.56 3.46 -0.17 3.52 0.04 -1.26 -4.51 135.00 132.53 2b95 s PRO 104 Ca 0.56 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2b95 s PRO 104 Cb -0.20 -2.11 -0.12 0.00 0.04 0.00 0.00 34.50 32.11 2b95 s PRO 104 CO 0.68 -0.77 -0.14 0.25 0.04 0.00 0.00 177.00 177.06 2b95 n THR 105 N -1.08 1.00 -0.28 1.26 -2.24 -1.26 -5.05 114.28 106.62 2b95 n THR 105 Ca 0.10 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2b95 n THR 105 Cb 0.50 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71