#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 1.58 -0.24 3.04 0.00 -2.05 -1.34 119.26 120.25 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 -0.01 -0.16 1.49 0.00 0.00 0.00 179.25 180.57 2b95 h GLU 13 N 0.78 -0.15 -0.61 0.00 4.57 -2.06 0.98 114.58 118.10 2b95 h GLU 13 Ca 0.55 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.68 2b95 h GLU 13 Cb 0.79 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.39 2b95 h GLU 13 CO -0.36 -0.10 0.16 0.28 -1.18 0.00 0.00 179.01 177.81 2b95 h VAL 14 N -0.15 1.24 -0.78 0.32 2.07 -1.72 -2.70 116.25 114.53 2b95 h VAL 14 Ca 0.14 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2b95 h VAL 14 Cb 0.36 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2b95 h VAL 14 CO -0.34 0.33 0.37 -0.33 0.02 0.00 0.00 177.57 177.62 2b95 h GLU 15 N 0.91 1.13 -0.77 1.57 5.08 -0.38 0.18 114.58 122.29 2b95 h GLU 15 Ca 0.20 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2b95 h GLU 15 Cb 0.31 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2b95 h GLU 15 CO -0.00 0.88 0.36 1.49 -1.00 0.00 0.00 179.01 180.74 2b95 h GLU 16 N 1.11 1.12 0.00 2.33 4.22 -0.54 -1.55 114.58 121.26 2b95 h GLU 16 Ca 0.27 -0.17 -0.12 0.00 0.08 0.00 0.00 59.36 59.43 2b95 h GLU 16 Cb 0.13 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2b95 h GLU 16 CO -0.03 0.87 -0.55 1.15 -2.18 0.00 0.00 179.01 178.27 2b95 h THR 17 N 1.10 0.96 -0.30 0.32 2.02 -1.17 -3.28 112.91 112.57 2b95 h THR 17 Ca 0.27 -2.31 -0.18 0.00 0.77 0.00 0.00 66.41 64.95 2b95 h THR 17 Cb 0.13 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2b95 h THR 17 CO -0.03 0.54 -0.53 -0.07 0.37 0.00 0.00 175.52 175.80 2b95 h LEU 18 N 0.00 0.97 0.04 2.58 4.07 -0.14 -1.95 115.31 120.88 2b95 h LEU 18 Ca -0.01 -0.51 0.00 0.00 0.08 0.00 0.00 57.88 57.45 2b95 h LEU 18 Cb 1.40 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 2b95 h LEU 18 CO 0.07 1.31 -0.06 0.11 -1.08 0.00 0.00 178.44 178.79 2b95 h LYS 19 N 0.67 -0.12 -0.17 1.13 1.79 -1.36 0.19 116.57 118.71 2b95 h LYS 19 Ca 0.02 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 2b95 h LYS 19 Cb 1.13 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 2b95 h LYS 19 CO 0.12 -0.08 -0.21 -0.09 -1.08 0.00 0.00 179.45 178.11 2b95 h ARG 20 N -0.12 0.30 0.24 3.15 9.65 -1.61 -1.07 114.38 124.91 2b95 h ARG 20 Ca 0.01 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 2b95 h ARG 20 Cb 0.12 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2b95 h ARG 20 CO -0.03 0.50 -0.11 -0.07 2.80 0.00 0.00 179.97 183.06 2b95 h LEU 21 N 0.27 -0.27 -2.11 3.80 4.07 -0.87 -2.31 115.31 117.89 2b95 h LEU 21 Ca 0.05 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 2b95 h LEU 21 Cb 0.53 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.33 2b95 h LEU 21 CO 0.04 0.16 -0.06 -0.61 -1.08 0.00 0.00 178.44 176.88 2b95 h GLN 22 N -0.76 0.00 0.00 1.13 4.15 -0.60 -1.46 115.11 117.57 2b95 h GLN 22 Ca -0.03 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 2b95 h GLN 22 Cb 0.50 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2b95 h GLN 22 CO 0.05 0.06 -0.23 1.03 -1.93 0.00 0.00 178.83 177.82 2b95 h SER 23 N 0.00 0.00 -2.93 -0.69 0.87 -1.10 -3.45 113.55 106.26 2b95 h SER 23 Ca -0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 2b95 h SER 23 Cb 0.28 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 2b95 h SER 23 CO 0.01 0.23 -0.52 0.00 -0.53 0.00 0.00 176.83 176.01 2b95 s GLN 24 N -3.13 3.28 0.49 2.24 -2.07 -0.55 -5.07 119.66 114.86 2b95 s GLN 24 Ca 0.05 -0.54 -0.20 0.00 -1.82 0.00 0.00 55.36 52.86 2b95 s GLN 24 Cb 0.06 -2.94 -0.08 0.00 -1.09 0.00 0.00 33.01 28.96 2b95 s GLN 24 CO 0.70 0.58 1.04 0.21 -1.32 0.00 0.00 175.29 176.51 2b95 s LYS 25 N -2.59 3.75 0.00 9.60 2.20 -1.26 -4.01 119.74 127.44 2b95 s LYS 25 Ca 0.33 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 2b95 s LYS 25 Cb -0.12 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 2b95 s LYS 25 CO 0.26 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 2b95 n GLY 26 N -0.27 3.21 3.68 5.54 0.00 -1.26 -5.00 105.19 111.09 2b95 n GLY 26 Ca 0.09 -0.89 -0.51 0.00 0.00 0.00 0.00 46.02 44.71 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 0.48 -0.01 1.61 0.31 -1.26 -2.30 118.33 117.17 2b95 n VAL 27 Ca 0.00 -0.10 -0.06 0.00 -0.01 0.00 0.00 64.34 64.18 2b95 n VAL 27 Cb 0.00 -1.67 -0.12 0.00 -0.91 0.00 0.00 33.84 31.14 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 6.35 0.63 0.00 5.55 3.00 0.85 -4.93 117.38 128.82 2b95 n GLN 28 Ca 0.25 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 2b95 n GLN 28 Cb 0.24 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.71 2b95 n GLN 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2b95 n GLY 29 N 1.51 3.23 3.33 1.08 0.00 -0.98 -4.95 105.19 108.41 2b95 n GLY 29 Ca -0.16 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.55 2.70 0.04 -0.61 1.09 -1.26 -1.82 121.20 119.79 2b95 s ILE 30 Ca 0.00 -0.80 0.09 0.00 -1.10 0.00 0.00 60.65 58.84 2b95 s ILE 30 Cb 0.00 -2.09 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 2b95 s ILE 30 CO 0.00 0.54 -0.25 -0.63 -0.10 0.00 0.00 174.94 174.50 2b95 s ILE 31 N 0.24 2.05 -0.02 2.92 1.01 -0.54 -3.15 121.20 123.72 2b95 s ILE 31 Ca -0.11 -1.33 0.02 0.00 0.00 0.00 0.00 60.65 59.22 2b95 s ILE 31 Cb -0.16 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2b95 s ILE 31 CO 0.06 0.36 -0.07 -0.69 0.00 0.00 0.00 174.94 174.60 2b95 s VAL 32 N -0.78 0.63 -0.05 2.92 1.01 0.10 -1.66 120.40 122.57 2b95 s VAL 32 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 2b95 s VAL 32 Cb -0.10 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.73 2b95 s VAL 32 CO 0.02 0.20 0.13 -0.69 0.00 0.00 0.00 175.10 174.76 2b95 s VAL 33 N 0.20 -0.00 0.00 2.92 1.01 -1.22 -1.41 120.40 121.90 2b95 s VAL 33 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2b95 s VAL 33 Cb -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2b95 s VAL 33 CO 0.00 0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.70 2b95 n ASN 34 N 3.12 -1.27 0.10 3.32 3.02 -0.20 -0.09 115.26 123.26 2b95 n ASN 34 Ca -0.14 -0.36 -0.03 0.00 -0.03 0.00 0.00 54.58 54.03 2b95 n ASN 34 Cb 0.58 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 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 -1.63 1.41 -0.19 3.41 1.35 -1.66 -3.25 112.91 112.35 2b95 h THR 35 Ca 0.00 -2.86 -0.13 0.00 -0.55 0.00 0.00 66.41 62.87 2b95 h THR 35 Cb 0.00 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 2b95 h THR 35 CO 0.00 0.77 -0.44 -0.33 -0.25 0.00 0.00 175.52 175.28 2b95 h GLU 36 N 0.00 0.45 0.00 4.72 5.08 -1.92 -3.47 114.58 119.44 2b95 h GLU 36 Ca -0.01 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2b95 h GLU 36 Cb 1.55 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2b95 h GLU 36 CO 0.10 0.81 0.00 0.41 -1.00 0.00 0.00 179.01 179.33 2b95 n GLY 37 N -0.01 1.54 3.67 -3.84 0.00 -1.23 -5.13 105.19 100.20 2b95 n GLY 37 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.85 4.84 0.40 -0.61 1.01 -1.26 -4.84 121.20 118.89 2b95 s ILE 38 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 60.65 60.38 2b95 s ILE 38 Cb 0.00 -3.16 -0.08 0.00 0.01 0.00 0.00 42.46 39.22 2b95 s ILE 38 CO 0.00 0.49 1.19 -2.16 0.00 0.00 0.00 174.94 174.46 2b95 s PRO 39 N 0.12 4.03 -0.01 2.79 0.04 -1.26 -1.03 135.00 139.69 2b95 s PRO 39 Ca 0.05 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2b95 s PRO 39 Cb -0.12 -2.69 -0.01 0.00 0.04 0.00 0.00 34.50 31.73 2b95 s PRO 39 CO 0.00 -0.35 -0.00 0.44 0.04 0.00 0.00 177.00 177.13 2b95 n ILE 40 N 0.08 0.04 -3.72 0.56 -5.35 -0.50 -4.90 119.36 105.57 2b95 n ILE 40 Ca 0.04 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.38 2b95 n ILE 40 Cb 0.46 -0.78 -0.12 0.00 -1.74 0.00 0.00 39.64 37.45 2b95 n ILE 40 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2b95 s LYS 41 N -2.01 0.28 -0.30 6.28 -0.14 -1.23 -5.03 119.74 117.58 2b95 s LYS 41 Ca -0.01 0.61 -0.07 0.00 -1.36 0.00 0.00 55.97 55.15 2b95 s LYS 41 Cb 0.00 -0.07 0.18 0.00 -1.68 0.00 0.00 37.83 36.26 2b95 s LYS 41 CO 0.02 -0.15 0.78 0.45 -0.76 0.00 0.00 175.35 175.69 2b95 s SER 42 N 1.23 -1.01 0.31 2.83 0.15 -1.26 0.00 113.70 115.95 2b95 s SER 42 Ca -0.09 0.73 0.26 0.00 0.70 0.00 0.00 55.95 57.55 2b95 s SER 42 Cb -0.09 1.88 1.01 0.00 -1.71 0.00 0.00 66.02 67.11 2b95 s SER 42 CO -0.09 -0.19 1.77 0.71 1.20 0.00 0.00 173.24 176.64 2b95 h THR 43 N 5.74 0.00 -1.02 6.45 1.35 -1.96 -3.45 112.91 120.03 2b95 h THR 43 Ca -0.19 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2b95 h THR 43 Cb 1.16 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2b95 h THR 43 CO 0.12 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 175.62 2b95 n MET 44 N -2.43 -1.74 -1.76 4.72 2.81 -1.26 -5.00 117.12 112.46 2b95 n MET 44 Ca 0.02 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.62 2b95 n MET 44 Cb 0.28 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 32.90 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 -1.94 4.23 0.04 7.83 -1.08 -1.26 -4.85 116.67 119.64 2b95 s ASP 45 Ca 0.00 0.89 -0.30 0.00 -0.52 0.00 0.00 52.55 52.62 2b95 s ASP 45 Cb 0.00 -1.45 -0.17 0.00 -1.46 0.00 0.00 42.92 39.84 2b95 s ASP 45 CO 0.00 -2.09 1.38 -1.13 0.52 0.00 0.00 175.17 173.85 2b95 h ASN 46 N -1.18 -0.73 0.74 -0.34 -0.00 -1.94 -0.56 115.58 111.56 2b95 h ASN 46 Ca -0.48 -0.01 -0.05 0.00 -0.00 0.00 0.00 56.30 55.76 2b95 h ASN 46 Cb 1.32 0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 39.83 2b95 h ASN 46 CO 0.64 -0.43 -0.24 1.55 -0.00 0.00 0.00 177.43 178.96 2b95 h PRO 47 N -1.03 0.00 -0.02 6.67 0.13 -2.00 -2.85 132.00 132.90 2b95 h PRO 47 Ca -0.09 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.81 2b95 h PRO 47 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2b95 h PRO 47 CO 0.15 0.24 -0.92 1.15 -0.23 0.00 0.00 178.00 178.39 2b95 h THR 48 N 0.00 1.37 0.07 1.56 2.02 -1.92 -2.87 112.91 113.13 2b95 h THR 48 Ca -0.00 -2.35 -0.00 0.00 0.77 0.00 0.00 66.41 64.83 2b95 h THR 48 Cb 0.67 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2b95 h THR 48 CO 0.03 0.71 -0.03 0.74 0.37 0.00 0.00 175.52 177.34 2b95 h THR 49 N 0.28 1.20 -0.17 3.16 2.02 -0.96 -2.49 112.91 115.95 2b95 h THR 49 Ca -0.08 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.14 2b95 h THR 49 Cb 1.55 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 69.76 2b95 h THR 49 CO 0.16 0.25 -0.10 0.74 0.37 0.00 0.00 175.52 176.94 2b95 h THR 50 N -0.55 0.68 -0.07 3.16 2.02 -1.61 0.13 112.91 116.68 2b95 h THR 50 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 2b95 h THR 50 Cb 0.47 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2b95 h THR 50 CO 0.02 0.00 -0.19 -0.61 0.37 0.00 0.00 175.52 175.10 2b95 h GLN 51 N -0.10 -0.27 0.19 6.66 -0.00 -1.57 0.18 115.11 120.20 2b95 h GLN 51 Ca 0.10 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 2b95 h GLN 51 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.77 2b95 h GLN 51 CO -0.23 -0.18 -0.17 1.88 0.00 0.00 0.00 178.83 180.13 2b95 h TYR 52 N -0.28 -0.44 0.00 3.99 -1.99 -1.10 -1.06 116.97 116.09 2b95 h TYR 52 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2b95 h TYR 52 Cb 0.39 0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.29 2b95 h TYR 52 CO -0.27 -0.26 0.00 0.00 -0.00 0.00 0.00 178.16 177.63 2b95 h ALA 53 N 0.39 1.00 0.05 3.88 0.00 -0.47 0.26 119.26 124.37 2b95 h ALA 53 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b95 h ALA 53 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2b95 h ALA 53 CO -0.03 0.00 -0.02 1.03 0.00 0.00 0.00 179.25 180.22 2b95 h SER 54 N 0.00 -0.06 1.65 0.00 0.87 0.63 -3.31 113.55 113.33 2b95 h SER 54 Ca 0.00 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.96 2b95 h SER 54 Cb 0.04 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2b95 h SER 54 CO 0.00 0.65 0.00 0.17 -0.53 0.00 0.00 176.83 177.12 2b95 h LEU 55 N -0.86 0.00 0.21 2.23 8.10 -1.00 -3.29 115.31 120.69 2b95 h LEU 55 Ca -0.01 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.99 2b95 h LEU 55 Cb 0.65 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.84 2b95 h LEU 55 CO 0.01 0.00 -0.33 -0.03 -4.11 0.00 0.00 178.44 173.98 2b95 h MET 56 N 0.00 -0.59 -0.03 0.17 4.05 -0.57 0.25 114.93 118.21 2b95 h MET 56 Ca 0.00 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2b95 h MET 56 Cb 0.82 0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.76 2b95 h MET 56 CO 0.00 -0.39 -0.00 1.25 0.23 0.00 0.00 176.91 178.00 2b95 h HIS 57 N -0.61 0.06 -0.21 1.39 -0.00 -1.67 -2.73 115.15 111.38 2b95 h HIS 57 Ca 0.01 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 2b95 h HIS 57 Cb 0.60 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 2b95 h HIS 57 CO -0.25 0.37 0.24 1.03 -0.00 0.00 0.00 177.93 179.32 2b95 h SER 58 N -0.26 0.00 0.15 3.26 0.87 -1.60 -2.07 113.55 113.90 2b95 h SER 58 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 2b95 h SER 58 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2b95 h SER 58 CO 0.00 0.00 -0.07 0.15 -0.53 0.00 0.00 176.83 176.38 2b95 h PHE 59 N 0.00 -0.18 0.11 2.24 3.57 -0.21 -2.75 116.94 119.71 2b95 h PHE 59 Ca 0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2b95 h PHE 59 Cb 0.59 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2b95 h PHE 59 CO 0.00 0.26 -0.36 0.82 -2.23 0.00 0.00 178.31 176.81 2b95 h ILE 60 N -0.86 0.26 -0.18 1.41 1.08 -1.13 -0.06 117.51 118.02 2b95 h ILE 60 Ca -0.02 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.50 2b95 h ILE 60 Cb 0.53 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 2b95 h ILE 60 CO 0.03 0.00 0.22 -0.07 -0.69 0.00 0.00 178.15 177.65 2b95 h LEU 61 N -0.58 0.00 0.20 1.44 4.07 -1.55 -0.46 115.31 118.43 2b95 h LEU 61 Ca 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2b95 h LEU 61 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 2b95 h LEU 61 CO -0.22 0.00 -0.10 0.50 -1.08 0.00 0.00 178.44 177.55 2b95 h LYS 62 N 0.00 -0.26 -0.43 1.13 1.63 -0.70 -2.41 116.57 115.53 2b95 h LYS 62 Ca 0.09 0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.77 2b95 h LYS 62 Cb 0.53 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2b95 h LYS 62 CO -0.00 0.07 -0.27 0.00 -3.45 0.00 0.00 179.45 175.80 2b95 h ALA 63 N 0.09 0.61 -0.09 5.00 0.00 -0.88 -2.81 119.26 121.17 2b95 h ALA 63 Ca -0.03 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.50 2b95 h ALA 63 Cb 0.45 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2b95 h ALA 63 CO 0.04 0.63 0.09 -0.09 0.00 0.00 0.00 179.25 179.92 2b95 h ARG 64 N 0.77 0.00 0.00 0.00 2.43 -1.15 0.69 114.38 117.12 2b95 h ARG 64 Ca 0.09 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 2b95 h ARG 64 Cb 0.85 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2b95 h ARG 64 CO 0.07 0.00 -0.57 1.03 -1.51 0.00 0.00 179.97 178.99 2b95 h SER 65 N 0.00 0.00 0.10 -3.80 0.87 -1.17 -3.27 113.55 106.28 2b95 h SER 65 Ca 0.04 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.41 2b95 h SER 65 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2b95 h SER 65 CO -0.00 0.57 -0.97 0.71 -0.53 0.00 0.00 176.83 176.61 2b95 h THR 66 N 0.00 1.32 -0.94 2.23 1.35 -0.84 -3.33 112.91 112.70 2b95 h THR 66 Ca -0.01 -2.43 0.21 0.00 -0.55 0.00 0.00 66.41 63.64 2b95 h THR 66 Cb 1.42 2.96 -0.07 0.00 -1.73 0.00 0.00 68.15 70.73 2b95 h THR 66 CO 0.07 0.66 0.61 -0.37 -0.25 0.00 0.00 175.52 176.25 2b95 h VAL 67 N -0.49 0.66 -0.85 6.82 -1.51 -1.19 0.17 116.25 119.86 2b95 h VAL 67 Ca -0.20 -0.15 0.23 0.00 -1.23 0.00 0.00 66.70 65.34 2b95 h VAL 67 Cb 1.57 0.18 -0.05 0.00 -2.13 0.00 0.00 31.29 30.87 2b95 h VAL 67 CO 0.07 0.08 0.59 0.03 -1.23 0.00 0.00 177.57 177.11 2b95 h ARG 68 N 0.44 0.14 0.05 5.19 2.47 -1.67 0.27 114.38 121.26 2b95 h ARG 68 Ca 0.50 -0.01 -0.24 0.00 -1.26 0.00 0.00 59.98 58.97 2b95 h ARG 68 Cb 1.20 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.47 2b95 h ARG 68 CO -0.21 0.09 -1.16 0.22 0.56 0.00 0.00 179.97 179.47 2b95 h ASP 69 N 0.14 0.15 -0.23 7.04 1.82 -0.86 -3.30 116.42 121.19 2b95 h ASP 69 Ca 0.42 -0.17 -0.09 0.00 -0.39 0.00 0.00 57.03 56.80 2b95 h ASP 69 Cb 1.43 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.37 2b95 h ASP 69 CO -0.07 1.14 -0.16 0.40 -1.61 0.00 0.00 179.24 178.94 2b95 h ILE 70 N 0.03 1.26 -3.36 2.25 2.04 -0.42 -3.46 117.51 115.84 2b95 h ILE 70 Ca -0.08 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.55 2b95 h ILE 70 Cb 1.86 1.15 -0.13 0.00 -0.74 0.00 0.00 36.82 38.97 2b95 h ILE 70 CO 0.15 0.39 -0.04 -1.81 0.00 0.00 0.00 178.15 176.84 2b95 s ASP 71 N -6.74 -0.26 0.43 1.72 1.01 -0.58 -5.04 116.67 107.20 2b95 s ASP 71 Ca -0.08 -0.31 0.22 0.00 0.71 0.00 0.00 52.55 53.09 2b95 s ASP 71 Cb 0.14 0.49 0.94 0.00 1.01 0.00 0.00 42.92 45.50 2b95 s ASP 71 CO 0.81 -0.88 1.85 1.55 0.21 0.00 0.00 175.17 178.71 2b95 h PRO 72 N 2.32 0.00 -2.32 8.23 0.13 -1.87 -3.39 132.00 135.10 2b95 h PRO 72 Ca -0.34 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.31 2b95 h PRO 72 Cb 1.26 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.03 2b95 h PRO 72 CO 0.45 0.27 -0.77 -0.65 -0.23 0.00 0.00 178.00 177.07 2b95 s GLN 73 N -3.82 0.56 -0.01 0.86 -0.21 -1.26 -5.04 119.66 110.74 2b95 s GLN 73 Ca -0.01 -1.06 0.06 0.00 0.02 0.00 0.00 55.36 54.37 2b95 s GLN 73 Cb 0.12 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.08 2b95 s GLN 73 CO 0.65 -1.19 -0.20 1.21 -2.12 0.00 0.00 175.29 173.64 2b95 s ASN 74 N 1.31 2.30 -0.11 5.90 3.84 -1.26 -5.13 114.94 121.79 2b95 s ASN 74 Ca 0.17 -0.37 -0.02 0.00 0.21 0.00 0.00 52.86 52.85 2b95 s ASN 74 Cb -0.19 -0.25 0.04 0.00 -0.55 0.00 0.00 41.25 40.29 2b95 s ASN 74 CO -0.04 0.23 0.01 -0.62 -2.79 0.00 0.00 177.10 173.90 2b95 s ASP 75 N -0.51 1.99 -0.01 -4.21 2.15 -1.26 -4.86 116.67 109.97 2b95 s ASP 75 Ca 0.07 -0.31 -0.30 0.00 0.43 0.00 0.00 52.55 52.45 2b95 s ASP 75 Cb -0.08 -0.49 -0.03 0.00 -0.30 0.00 0.00 42.92 42.02 2b95 s ASP 75 CO -0.01 -0.23 0.96 -0.76 -0.17 0.00 0.00 175.17 174.97 2b95 s LEU 76 N 1.94 4.36 0.00 -1.34 2.01 -1.26 -4.91 118.68 119.48 2b95 s LEU 76 Ca 0.03 1.63 0.00 0.00 0.01 0.00 0.00 54.13 55.80 2b95 s LEU 76 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.52 2b95 s LEU 76 CO -0.06 -0.26 0.14 1.07 1.01 0.00 0.00 176.35 178.25 2b95 n THR 77 N 3.91 0.00 -3.73 5.49 5.66 -1.26 -4.70 114.28 119.65 2b95 n THR 77 Ca 0.06 -0.45 -0.13 0.00 -3.05 0.00 0.00 64.05 60.47 2b95 n THR 77 Cb 0.51 1.03 -0.14 0.00 -1.55 0.00 0.00 70.33 70.18 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 -0.63 -0.24 -0.29 1.09 2.19 -1.26 -4.19 117.98 114.64 2b95 s PHE 78 Ca 0.00 0.63 -0.03 0.00 0.33 0.00 0.00 56.93 57.87 2b95 s PHE 78 Cb 0.00 -0.03 0.10 0.00 -1.31 0.00 0.00 43.02 41.78 2b95 s PHE 78 CO 0.00 -0.20 0.11 -0.51 1.83 0.00 0.00 175.22 176.45 2b95 s LEU 79 N 1.27 1.32 0.11 6.12 1.02 -0.14 -5.00 118.68 123.38 2b95 s LEU 79 Ca -0.09 -1.40 0.08 0.00 0.02 0.00 0.00 54.13 52.74 2b95 s LEU 79 Cb -0.11 -0.59 -0.04 0.00 0.02 0.00 0.00 46.19 45.47 2b95 s LEU 79 CO -0.07 -0.42 -0.15 -0.13 0.02 0.00 0.00 176.35 175.60 2b95 s ARG 80 N 1.88 1.94 -0.35 1.70 0.52 -1.26 -0.10 118.95 123.27 2b95 s ARG 80 Ca 0.09 -1.10 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 2b95 s ARG 80 Cb -0.17 -2.20 0.14 0.00 0.52 0.00 0.00 34.95 33.25 2b95 s ARG 80 CO -0.30 0.50 0.28 0.42 0.02 0.00 0.00 175.30 176.22 2b95 s ILE 81 N -1.16 -0.09 -0.29 1.52 1.01 -0.18 -5.00 121.20 117.01 2b95 s ILE 81 Ca 0.19 -1.33 -0.28 0.00 0.00 0.00 0.00 60.65 59.23 2b95 s ILE 81 Cb -0.11 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2b95 s ILE 81 CO 0.11 -0.79 1.95 -0.60 0.00 0.00 0.00 174.94 175.61 2b95 s ARG 82 N 1.31 3.25 0.00 2.79 3.52 -1.26 -2.93 118.95 125.63 2b95 s ARG 82 Ca 0.17 1.64 0.00 0.00 -0.13 0.00 0.00 55.73 57.41 2b95 s ARG 82 Cb -0.19 -4.26 0.00 0.00 -1.56 0.00 0.00 34.95 28.93 2b95 s ARG 82 CO -0.04 -1.96 0.00 0.43 -0.81 0.00 0.00 175.30 172.92 2b95 n SER 83 N 10.85 0.66 -0.09 -2.12 7.64 -1.15 -5.01 113.62 124.40 2b95 n SER 83 Ca 0.25 -1.00 -0.17 0.00 1.01 0.00 0.00 58.87 58.97 2b95 n SER 83 Cb 0.46 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.76 1.43 1.57 -2.03 -3.38 116.57 113.40 2b95 h LYS 84 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2b95 h LYS 84 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2b95 h LYS 84 CO 0.00 0.78 0.39 1.57 -0.57 0.00 0.00 179.45 181.63 2b95 h LYS 85 N -1.00 1.06 -1.06 3.15 2.10 -2.00 -3.47 116.57 115.35 2b95 h LYS 85 Ca -0.23 -0.13 0.37 0.00 -2.00 0.00 0.00 60.65 58.66 2b95 h LYS 85 Cb 1.08 -0.21 -0.16 0.00 -0.90 0.00 0.00 32.23 32.04 2b95 h LYS 85 CO -0.14 0.79 0.98 0.54 -2.00 0.00 0.00 179.45 179.62 2b95 s ASN 86 N -6.37 -0.01 -0.02 7.07 2.20 -1.26 -4.84 114.94 111.70 2b95 s ASN 86 Ca -0.11 -0.01 -0.17 0.00 -0.94 0.00 0.00 52.86 51.62 2b95 s ASN 86 Cb 0.17 0.02 -0.05 0.00 -2.00 0.00 0.00 41.25 39.38 2b95 s ASN 86 CO 0.81 -0.04 0.49 -0.70 -2.94 0.00 0.00 177.10 174.72 2b95 s GLU 87 N -2.06 4.15 -0.22 3.55 2.12 -0.32 -2.93 118.70 122.99 2b95 s GLU 87 Ca 0.14 0.53 0.00 0.00 0.36 0.00 0.00 54.97 56.01 2b95 s GLU 87 Cb 0.05 -3.30 0.03 0.00 0.26 0.00 0.00 34.13 31.17 2b95 s GLU 87 CO -0.05 0.49 -0.13 0.42 -0.54 0.00 0.00 175.26 175.45 2b95 s ILE 88 N -0.50 2.39 -0.09 -3.70 1.01 -1.15 -3.06 121.20 116.10 2b95 s ILE 88 Ca 0.26 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.85 2b95 s ILE 88 Cb -0.17 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 2b95 s ILE 88 CO 0.14 0.31 -0.18 0.00 0.00 0.00 0.00 174.94 175.22 2b95 s MET 89 N 1.27 2.98 -0.11 2.79 0.23 -1.18 -1.01 119.30 124.27 2b95 s MET 89 Ca 0.01 -0.76 -0.06 0.00 -1.03 0.00 0.00 55.69 53.84 2b95 s MET 89 Cb -0.16 -2.43 0.04 0.00 -1.53 0.00 0.00 34.83 30.75 2b95 s MET 89 CO -0.08 0.33 0.26 0.08 -2.03 0.00 0.00 175.02 173.57 2b95 s VAL 90 N 0.03 -0.03 0.04 5.16 1.01 0.85 -2.36 120.40 125.10 2b95 s VAL 90 Ca -0.06 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 2b95 s VAL 90 Cb -0.15 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2b95 s VAL 90 CO 0.05 0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.19 2b95 s ALA 91 N 0.98 0.30 -0.58 5.51 0.00 -1.23 -0.97 121.76 125.77 2b95 s ALA 91 Ca -0.07 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.68 2b95 s ALA 91 Cb -0.08 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 2b95 s ALA 91 CO -0.07 -0.32 1.85 -1.25 0.00 0.00 0.00 175.76 175.97 2b95 s PRO 92 N -3.20 2.71 0.00 0.00 0.04 -1.26 -3.48 135.00 129.82 2b95 s PRO 92 Ca 0.00 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2b95 s PRO 92 Cb 0.03 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2b95 s PRO 92 CO -0.07 -2.63 0.00 -3.47 0.04 0.00 0.00 177.00 170.86 2b95 n ASP 93 N 12.46 -0.35 -0.10 6.66 -0.08 0.67 -4.93 116.55 130.87 2b95 n ASP 93 Ca 0.21 -0.63 -0.07 0.00 -1.51 0.00 0.00 54.79 52.79 2b95 n ASP 93 Cb 0.52 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.97 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 -0.11 -0.18 -0.25 -0.57 0.00 0.00 179.45 178.34 2b95 n ASP 95 N -5.38 0.00 -3.66 0.86 8.00 -1.26 -5.12 116.55 109.99 2b95 n ASP 95 Ca 0.01 -1.35 -0.14 0.00 0.71 0.00 0.00 54.79 54.01 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 1.18 -0.35 1.24 1.13 -1.26 -1.70 117.35 117.58 2b95 s TYR 96 Ca 0.00 -1.34 -0.00 0.00 -1.41 0.00 0.00 57.07 54.32 2b95 s TYR 96 Cb 0.00 -0.35 0.09 0.00 -1.10 0.00 0.00 41.96 40.60 2b95 s TYR 96 CO 0.00 -0.90 0.09 -0.06 -2.51 0.00 0.00 175.55 172.17 2b95 s PHE 97 N -3.61 3.53 0.27 -3.49 0.08 0.87 -0.24 117.98 115.39 2b95 s PHE 97 Ca 0.35 -2.42 -0.29 0.00 0.12 0.00 0.00 56.93 54.68 2b95 s PHE 97 Cb 0.02 -2.78 -0.09 0.00 -0.57 0.00 0.00 43.02 39.60 2b95 s PHE 97 CO 0.18 -0.92 1.13 -1.17 -0.10 0.00 0.00 175.22 174.34 2b95 s LEU 98 N 1.11 4.53 -0.26 -0.37 0.20 -1.23 -3.42 118.68 119.25 2b95 s LEU 98 Ca 0.04 2.29 -0.02 0.00 0.69 0.00 0.00 54.13 57.14 2b95 s LEU 98 Cb -0.21 -3.63 0.08 0.00 -0.43 0.00 0.00 46.19 42.01 2b95 s LEU 98 CO -0.04 -0.20 0.07 -0.63 -0.29 0.00 0.00 176.35 175.25 2b95 s ILE 99 N -1.00 0.65 -0.35 6.68 1.09 -0.66 -3.53 121.20 124.08 2b95 s ILE 99 Ca 0.46 -0.97 -0.11 0.00 -1.10 0.00 0.00 60.65 58.93 2b95 s ILE 99 Cb -0.33 -1.33 0.01 0.00 -1.06 0.00 0.00 42.46 39.75 2b95 s ILE 99 CO 0.41 -0.46 0.19 -0.69 -0.10 0.00 0.00 174.94 174.29 2b95 s VAL 100 N 1.76 4.68 -0.18 2.92 1.01 -1.00 -1.46 120.40 128.13 2b95 s VAL 100 Ca 0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2b95 s VAL 100 Cb -0.17 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2b95 s VAL 100 CO -0.19 -0.09 -0.00 -0.63 0.00 0.00 0.00 175.10 174.19 2b95 s ILE 101 N 1.60 4.09 0.21 2.22 1.01 -0.75 -3.12 121.20 126.46 2b95 s ILE 101 Ca 0.04 -0.28 -0.23 0.00 0.00 0.00 0.00 60.65 60.18 2b95 s ILE 101 Cb -0.18 -2.83 0.06 0.00 0.01 0.00 0.00 42.46 39.52 2b95 s ILE 101 CO 0.07 0.46 0.91 0.00 0.00 0.00 0.00 174.94 176.38 2b95 s GLN 102 N 0.64 1.45 0.97 2.79 -2.07 -1.17 -0.11 119.66 122.15 2b95 s GLN 102 Ca -0.00 -0.84 -0.13 0.00 -1.82 0.00 0.00 55.36 52.56 2b95 s GLN 102 Cb -0.14 0.46 0.03 0.00 -1.09 0.00 0.00 33.01 32.28 2b95 s GLN 102 CO 0.02 -0.67 0.32 0.09 -1.32 0.00 0.00 175.29 173.73 2b95 n ASN 103 N -0.69 -2.27 -4.77 12.60 3.02 -0.97 -1.18 115.26 120.99 2b95 n ASN 103 Ca -0.05 0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 2b95 n ASN 103 Cb 0.60 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 -0.15 3.52 0.04 -1.26 -4.37 135.00 132.61 2b95 s PRO 104 Ca 0.56 1.62 0.07 0.00 0.04 0.00 0.00 61.00 63.28 2b95 s PRO 104 Cb -0.20 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 2b95 s PRO 104 CO 0.68 -0.83 -0.05 0.25 0.04 0.00 0.00 177.00 177.10 2b95 n THR 105 N -1.26 0.94 0.00 1.26 -2.24 -1.26 -5.02 114.28 106.69 2b95 n THR 105 Ca 0.11 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2b95 n THR 105 Cb 0.51 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2b95 n THR 105 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71