#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b96 h LEU 3 N 0.00 0.15 -0.03 1.04 5.85 -1.98 0.37 115.31 120.72 1b96 h LEU 3 Ca 0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1b96 h LEU 3 Cb 0.00 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1b96 h LEU 3 CO 0.00 0.12 0.02 -0.09 -0.34 0.00 0.00 178.44 178.14 1b96 h ARG 4 N 0.33 0.04 -0.33 1.25 2.43 -2.00 0.53 114.38 116.63 1b96 h ARG 4 Ca 0.23 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.23 1b96 h ARG 4 Cb 0.24 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1b96 h ARG 4 CO -0.24 0.07 -0.44 0.66 -1.51 0.00 0.00 179.97 178.51 1b96 h SER 5 N -0.01 0.91 -0.03 -3.80 4.64 -1.91 0.15 113.55 113.50 1b96 h SER 5 Ca 0.01 -0.43 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1b96 h SER 5 Cb 0.04 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1b96 h SER 5 CO -0.00 1.21 0.02 0.44 -0.87 0.00 0.00 176.83 177.62 1b96 h ASP 6 N 0.67 0.03 -0.49 4.97 3.32 -0.12 -1.54 116.42 123.27 1b96 h ASP 6 Ca 0.04 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1b96 h ASP 6 Cb 1.02 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1b96 h ASP 6 CO 0.10 0.06 0.27 0.25 -1.72 0.00 0.00 179.24 178.20 1b96 h LEU 7 N 0.00 0.41 -0.53 1.55 5.85 0.18 -1.11 115.31 121.67 1b96 h LEU 7 Ca 0.01 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1b96 h LEU 7 Cb 0.03 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 1b96 h LEU 7 CO -0.00 0.29 0.26 0.40 -0.34 0.00 0.00 178.44 179.05 1b96 h ILE 8 N 0.53 0.95 -0.23 4.05 2.04 -0.70 -0.05 117.51 124.09 1b96 h ILE 8 Ca 0.20 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1b96 h ILE 8 Cb 0.07 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1b96 h ILE 8 CO -0.12 0.09 0.02 0.78 0.00 0.00 0.00 178.15 178.92 1b96 h ASN 9 N 0.51 0.39 -0.18 1.72 2.35 -0.94 -1.84 115.58 117.59 1b96 h ASN 9 Ca 0.23 -0.29 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1b96 h ASN 9 Cb 0.15 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 1b96 h ASN 9 CO -0.17 0.58 -0.09 0.00 -1.65 0.00 0.00 177.43 176.11 1b96 h ALA 10 N 0.82 0.06 -0.06 -0.83 0.00 -0.99 -0.37 119.26 117.90 1b96 h ALA 10 Ca 0.07 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1b96 h ALA 10 Cb 0.37 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1b96 h ALA 10 CO 0.01 -0.52 -0.12 -0.07 0.00 0.00 0.00 179.25 178.55 1b96 h LEU 11 N -0.07 -0.36 -0.62 0.00 3.38 -0.90 0.15 115.31 116.90 1b96 h LEU 11 Ca 0.10 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1b96 h LEU 11 Cb 0.22 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 1b96 h LEU 11 CO -0.22 -0.16 0.22 1.88 0.09 0.00 0.00 178.44 180.24 1b96 h TYR 12 N -0.17 0.38 -0.27 1.13 0.05 -0.91 -1.94 116.97 115.23 1b96 h TYR 12 Ca 0.06 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 1b96 h TYR 12 Cb 0.26 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1b96 h TYR 12 CO -0.21 0.08 0.07 -0.44 -1.05 0.00 0.00 178.16 176.62 1b96 h ASP 13 N 0.39 0.40 -0.47 3.88 5.19 -0.23 0.05 116.42 125.63 1b96 h ASP 13 Ca 0.32 -0.22 -0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1b96 h ASP 13 Cb 0.41 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1b96 h ASP 13 CO -0.33 0.51 0.11 -0.08 -3.12 0.00 0.00 179.24 176.34 1b96 h GLU 14 N 0.26 0.76 -0.77 3.56 4.57 -0.55 -1.59 114.58 120.82 1b96 h GLU 14 Ca 0.09 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1b96 h GLU 14 Cb 0.26 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1b96 h GLU 14 CO -0.00 0.75 0.33 -0.97 -1.18 0.00 0.00 179.01 177.94 1b96 h ASN 15 N 0.64 1.02 -0.44 1.04 -1.24 -1.30 -1.71 115.58 113.59 1b96 h ASN 15 Ca 0.15 -0.14 -0.09 0.00 0.71 0.00 0.00 56.30 56.93 1b96 h ASN 15 Cb 0.33 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1b96 h ASN 15 CO 0.00 0.89 -0.04 -0.61 -1.29 0.00 0.00 177.43 176.38 1b96 h GLN 16 N 1.10 0.87 0.08 6.67 4.15 -0.72 -3.33 115.11 123.94 1b96 h GLN 16 Ca 0.26 -0.27 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 1b96 h GLN 16 Cb 0.16 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.78 1b96 h GLN 16 CO -0.03 0.89 -0.55 0.87 -1.93 0.00 0.00 178.83 178.09 1b96 h LYS 17 N 0.80 0.23 -6.45 1.69 1.57 -0.71 -3.48 116.57 110.22 1b96 h LYS 17 Ca 0.15 -0.36 -0.64 0.00 -1.87 0.00 0.00 60.65 57.93 1b96 h LYS 17 Cb 0.53 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 32.83 1b96 h LYS 17 CO 0.03 1.14 -0.70 0.71 -0.57 0.00 0.00 179.45 180.06 1b96 s TYR 18 N -2.52 2.78 -0.27 -1.35 2.02 -0.70 -5.11 117.35 112.21 1b96 s TYR 18 Ca -0.15 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1b96 s TYR 18 Cb 0.00 -1.40 0.08 0.00 -0.40 0.00 0.00 41.96 40.24 1b96 s TYR 18 CO 0.79 0.47 0.04 -0.51 -1.57 0.00 0.00 175.55 174.77 1b96 s ASP 19 N -2.54 3.85 0.40 2.29 1.01 -1.26 -4.74 116.67 115.68 1b96 s ASP 19 Ca 0.24 -1.41 -0.27 0.00 0.71 0.00 0.00 52.55 51.82 1b96 s ASP 19 Cb -0.10 -0.98 -0.10 0.00 1.01 0.00 0.00 42.92 42.74 1b96 s ASP 19 CO 0.16 -0.34 1.45 0.52 0.21 0.00 0.00 175.17 177.17 1b96 n VAL 20 N 4.77 2.27 -1.06 -1.27 0.31 -1.26 -4.91 118.33 117.18 1b96 n VAL 20 Ca -0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1b96 n VAL 20 Cb 0.44 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1b96 n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b96 n GLY 22 N 0.00 0.30 3.74 0.00 0.00 -1.26 -4.18 105.19 103.79 1b96 n GLY 22 Ca 0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1b96 n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b96 s ILE 23 N -2.00 4.45 -0.02 -0.61 -4.36 0.07 -4.93 121.20 113.81 1b96 s ILE 23 Ca 0.00 -0.52 0.07 0.00 -0.26 0.00 0.00 60.65 59.95 1b96 s ILE 23 Cb 0.00 -3.02 -0.02 0.00 1.25 0.00 0.00 42.46 40.67 1b96 s ILE 23 CO 0.00 0.35 -0.24 -0.51 0.24 0.00 0.00 174.94 174.78 1b96 s ILE 24 N -1.15 1.90 0.61 8.37 2.07 -1.26 -1.01 121.20 130.72 1b96 s ILE 24 Ca 0.22 -1.02 -0.05 0.00 -1.41 0.00 0.00 60.65 58.38 1b96 s ILE 24 Cb -0.12 -1.58 0.03 0.00 0.13 0.00 0.00 42.46 40.92 1b96 s ILE 24 CO 0.13 0.54 0.91 -0.94 -1.91 0.00 0.00 174.94 173.66 1b96 s SER 25 N -0.51 5.33 0.53 4.50 1.04 -0.08 -4.95 113.70 119.55 1b96 s SER 25 Ca 0.08 0.52 0.32 0.00 0.48 0.00 0.00 55.95 57.34 1b96 s SER 25 Cb -0.10 -1.41 1.34 0.00 0.10 0.00 0.00 66.02 65.96 1b96 s SER 25 CO -0.00 -1.22 1.98 0.00 0.98 0.00 0.00 173.24 174.98 1b96 h ALA 26 N -0.24 1.03 -0.01 5.32 0.00 -2.01 -1.52 119.26 121.84 1b96 h ALA 26 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1b96 h ALA 26 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1b96 h ALA 26 CO 0.59 0.08 0.00 0.39 0.00 0.00 0.00 179.25 180.32 1b96 n GLU 27 N -3.22 1.31 -0.64 0.00 4.71 -1.26 -4.92 120.64 116.62 1b96 n GLU 27 Ca -0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 57.16 56.70 1b96 n GLU 27 Cb 0.31 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1b96 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b96 n GLY 28 N 1.08 0.70 3.67 0.62 0.00 -0.57 -5.05 105.19 105.64 1b96 n GLY 28 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1b96 n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b96 s LYS 29 N -0.36 4.27 -0.20 1.61 2.20 -1.26 -4.08 119.74 121.93 1b96 s LYS 29 Ca 0.00 0.74 -0.07 0.00 -0.36 0.00 0.00 55.97 56.28 1b96 s LYS 29 Cb 0.00 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1b96 s LYS 29 CO 0.00 -0.19 0.06 0.42 -0.36 0.00 0.00 175.35 175.28 1b96 s ILE 30 N 1.72 4.65 -0.20 5.43 1.01 0.59 -0.91 121.20 133.49 1b96 s ILE 30 Ca 0.32 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.82 1b96 s ILE 30 Cb -0.16 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1b96 s ILE 30 CO 0.12 0.43 0.06 -0.31 0.00 0.00 0.00 174.94 175.24 1b96 s TYR 31 N 0.67 3.19 0.96 3.97 1.51 -0.18 -0.41 117.35 127.06 1b96 s TYR 31 Ca 0.03 -0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 55.92 1b96 s TYR 31 Cb -0.13 -2.12 0.17 0.00 -0.11 0.00 0.00 41.96 39.77 1b96 s TYR 31 CO 0.02 0.01 1.10 -1.25 -1.11 0.00 0.00 175.55 174.32 1b96 s PRO 32 N 0.71 0.67 0.33 -1.71 0.04 -1.26 -0.75 135.00 133.04 1b96 s PRO 32 Ca 0.03 1.16 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 1b96 s PRO 32 Cb -0.13 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 1b96 s PRO 32 CO 0.02 -2.74 0.67 -0.51 0.04 0.00 0.00 177.00 174.48 1b96 s LEU 33 N -6.61 3.98 0.00 -3.56 1.43 -1.26 -4.71 118.68 107.95 1b96 s LEU 33 Ca 0.66 1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 54.60 1b96 s LEU 33 Cb -0.22 -3.85 0.24 0.00 0.03 0.00 0.00 46.19 42.39 1b96 s LEU 33 CO 0.59 -0.26 1.23 0.61 0.23 0.00 0.00 176.35 178.74 1b96 n GLY 34 N -0.87 -1.85 0.00 -3.19 0.00 -1.26 -4.77 105.19 93.25 1b96 n GLY 34 Ca 0.01 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.49 1b96 n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b96 n SER 35 N -4.11 0.73 -4.80 1.61 7.64 -1.26 -4.71 113.62 108.73 1b96 n SER 35 Ca 0.16 -0.73 -0.29 0.00 1.01 0.00 0.00 58.87 59.02 1b96 n SER 35 Cb 0.56 1.25 0.11 0.00 -1.01 0.00 0.00 64.21 65.12 1b96 n SER 35 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1b96 s ASP 36 N -3.41 4.23 0.34 6.43 -4.77 -1.26 -4.95 116.67 113.29 1b96 s ASP 36 Ca 0.04 0.74 0.18 0.00 -3.30 0.00 0.00 52.55 50.21 1b96 s ASP 36 Cb 0.15 -1.19 0.45 0.00 -1.09 0.00 0.00 42.92 41.24 1b96 s ASP 36 CO 0.88 -2.07 1.62 0.74 0.70 0.00 0.00 175.17 177.04 1b96 h THR 37 N -1.17 0.83 -0.21 2.11 2.02 -1.97 -1.80 112.91 112.71 1b96 h THR 37 Ca -0.46 -1.77 0.03 0.00 0.77 0.00 0.00 66.41 64.98 1b96 h THR 37 Cb 1.32 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 69.82 1b96 h THR 37 CO 0.62 0.40 0.01 0.50 0.37 0.00 0.00 175.52 177.43 1b96 h LYS 38 N 0.00 0.08 -0.14 6.66 1.63 -1.99 1.24 116.57 124.05 1b96 h LYS 38 Ca -0.00 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1b96 h LYS 38 Cb 1.09 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1b96 h LYS 38 CO 0.05 0.06 -0.12 0.28 -3.45 0.00 0.00 179.45 176.26 1b96 h VAL 39 N 0.09 1.34 -0.09 2.00 2.07 -1.85 -3.18 116.25 116.63 1b96 h VAL 39 Ca 0.10 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.24 1b96 h VAL 39 Cb 0.12 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1b96 h VAL 39 CO -0.16 0.37 -0.47 -0.07 0.02 0.00 0.00 177.57 177.26 1b96 h LEU 40 N -0.03 0.23 -0.72 2.57 3.38 -0.95 -1.94 115.31 117.84 1b96 h LEU 40 Ca 0.02 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1b96 h LEU 40 Cb 0.64 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1b96 h LEU 40 CO 0.03 0.67 -0.08 0.77 0.09 0.00 0.00 178.44 179.92 1b96 h SER 41 N 0.17 0.89 -0.55 -0.43 4.64 0.15 0.11 113.55 118.52 1b96 h SER 41 Ca 0.01 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 1b96 h SER 41 Cb 0.90 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1b96 h SER 41 CO 0.07 0.99 0.23 0.74 -0.87 0.00 0.00 176.83 177.99 1b96 h THR 42 N 0.81 1.22 -0.18 2.95 2.02 -1.49 -1.79 112.91 116.45 1b96 h THR 42 Ca 0.14 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1b96 h THR 42 Cb 0.60 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1b96 h THR 42 CO 0.04 0.26 0.04 0.40 0.37 0.00 0.00 175.52 176.62 1b96 h ILE 43 N 0.75 1.21 -0.43 3.11 5.03 -0.72 -2.12 117.51 124.35 1b96 h ILE 43 Ca 0.18 -0.69 -0.05 0.00 -0.12 0.00 0.00 64.86 64.19 1b96 h ILE 43 Cb 0.19 1.33 -0.02 0.00 -3.03 0.00 0.00 36.82 35.29 1b96 h ILE 43 CO -0.02 0.21 0.06 -0.26 -0.68 0.00 0.00 178.15 177.47 1b96 h PHE 44 N 0.09 0.69 0.12 1.37 0.04 -0.73 -1.00 116.94 117.52 1b96 h PHE 44 Ca 0.05 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1b96 h PHE 44 Cb 0.29 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 1b96 h PHE 44 CO 0.01 0.61 -0.20 0.93 -0.60 0.00 0.00 178.31 179.07 1b96 h GLU 45 N 0.64 -0.37 0.00 1.51 4.39 -1.20 -1.78 114.58 117.77 1b96 h GLU 45 Ca 0.14 0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 1b96 h GLU 45 Cb 0.30 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1b96 h GLU 45 CO 0.00 -0.25 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.34 1b96 h LEU 46 N -0.38 0.00 -0.63 1.33 3.38 -0.69 -2.50 115.31 115.82 1b96 h LEU 46 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1b96 h LEU 46 Cb 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1b96 h LEU 46 CO -0.10 0.20 -0.67 0.15 0.09 0.00 0.00 178.44 178.11 1b96 h PHE 47 N 0.00 0.00 0.00 1.13 3.57 -0.93 -3.26 116.94 117.45 1b96 h PHE 47 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1b96 h PHE 47 Cb 0.71 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1b96 h PHE 47 CO 0.00 0.67 -0.93 0.77 -2.23 0.00 0.00 178.31 176.60 1b96 h SER 48 N 0.00 0.00 -0.02 0.41 0.02 -0.88 -3.41 113.55 109.68 1b96 h SER 48 Ca -0.01 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1b96 h SER 48 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1b96 h SER 48 CO 0.09 0.33 -0.47 0.03 -1.14 0.00 0.00 176.83 175.67 1b96 h ARG 49 N 0.00 -0.56 -0.53 3.45 3.08 -1.56 -1.76 114.38 116.50 1b96 h ARG 49 Ca -0.06 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1b96 h ARG 49 Cb 1.31 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 1b96 h ARG 49 CO 0.03 -0.37 0.34 -1.35 -1.07 0.00 0.00 179.97 177.56 1b96 h PRO 50 N -0.58 0.70 0.19 0.04 0.11 -1.79 -1.75 132.00 128.92 1b96 h PRO 50 Ca 0.01 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.09 1b96 h PRO 50 Cb 0.63 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.54 1b96 h PRO 50 CO -0.32 0.47 -0.43 0.82 -0.21 0.00 0.00 178.00 178.33 1b96 h ILE 51 N 0.72 0.14 -0.65 4.15 2.04 -1.75 0.40 117.51 122.56 1b96 h ILE 51 Ca 0.19 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.18 1b96 h ILE 51 Cb -0.07 0.14 -0.09 0.00 -0.74 0.00 0.00 36.82 36.06 1b96 h ILE 51 CO -0.04 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.67 1b96 h ILE 52 N -0.71 0.61 -0.40 -0.67 2.04 -1.26 -0.85 117.51 116.28 1b96 h ILE 52 Ca 0.01 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 1b96 h ILE 52 Cb 0.71 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1b96 h ILE 52 CO -0.21 0.05 -0.19 -1.13 0.00 0.00 0.00 178.15 176.67 1b96 h ASN 53 N 0.28 0.77 0.50 1.72 -1.24 -0.84 -0.66 115.58 116.10 1b96 h ASN 53 Ca 0.35 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1b96 h ASN 53 Cb 0.54 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1b96 h ASN 53 CO -0.43 0.95 -0.24 0.50 -1.29 0.00 0.00 177.43 176.92 1b96 h LYS 54 N 0.67 -0.64 -0.60 6.67 3.64 0.95 -2.70 116.57 124.56 1b96 h LYS 54 Ca 0.10 0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1b96 h LYS 54 Cb 0.69 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1b96 h LYS 54 CO 0.05 -0.41 0.11 0.82 -2.27 0.00 0.00 179.45 177.75 1b96 h ILE 55 N -0.71 1.26 -0.73 2.00 1.08 -1.20 -2.61 117.51 116.59 1b96 h ILE 55 Ca -0.07 -0.98 -0.03 0.00 -0.39 0.00 0.00 64.86 63.39 1b96 h ILE 55 Cb 0.53 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.98 1b96 h ILE 55 CO 0.11 0.36 0.33 0.00 -0.69 0.00 0.00 178.15 178.26 1b96 h ALA 56 N 1.02 0.95 -0.33 1.87 0.00 -1.13 -2.40 119.26 119.24 1b96 h ALA 56 Ca 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1b96 h ALA 56 Cb 0.41 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1b96 h ALA 56 CO 0.01 0.54 -0.01 0.93 0.00 0.00 0.00 179.25 180.72 1b96 h GLU 57 N 1.04 0.52 -0.13 0.00 5.08 -1.34 0.21 114.58 119.96 1b96 h GLU 57 Ca 0.25 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1b96 h GLU 57 Cb 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1b96 h GLU 57 CO -0.03 0.55 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.20 1b96 h LYS 58 N 0.50 0.20 -0.68 2.33 3.64 -1.05 -2.68 116.57 118.83 1b96 h LYS 58 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1b96 h LYS 58 Cb 0.34 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1b96 h LYS 58 CO 0.01 0.33 0.00 0.72 -2.27 0.00 0.00 179.45 178.24 1b96 n HIS 59 N -4.30 1.00 -1.44 1.91 8.25 -0.92 -4.97 115.22 114.75 1b96 n HIS 59 Ca -0.01 -0.52 0.00 0.00 -0.26 0.00 0.00 57.72 56.93 1b96 n HIS 59 Cb 0.25 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1b96 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b96 n GLY 60 N 1.45 0.44 3.64 -1.41 0.00 -0.75 -5.05 105.19 103.50 1b96 n GLY 60 Ca 0.23 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1b96 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b96 s TYR 61 N -2.00 3.24 0.36 1.61 1.51 0.68 -4.36 117.35 118.39 1b96 s TYR 61 Ca 0.00 0.07 -0.25 0.00 -1.01 0.00 0.00 57.07 55.88 1b96 s TYR 61 Cb 0.00 -2.03 -0.10 0.00 -0.11 0.00 0.00 41.96 39.72 1b96 s TYR 61 CO 0.00 0.19 1.00 0.42 -1.11 0.00 0.00 175.55 176.05 1b96 s ILE 62 N 0.19 3.99 -0.16 2.71 1.01 0.75 -3.82 121.20 125.86 1b96 s ILE 62 Ca 0.04 1.57 -0.03 0.00 0.00 0.00 0.00 60.65 62.23 1b96 s ILE 62 Cb -0.12 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1b96 s ILE 62 CO 0.01 0.05 -0.06 -0.69 0.00 0.00 0.00 174.94 174.25 1b96 s VAL 63 N -1.66 3.58 -0.08 2.92 1.01 -1.26 -2.03 120.40 122.89 1b96 s VAL 63 Ca 0.54 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1b96 s VAL 63 Cb -0.20 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1b96 s VAL 63 CO 0.25 0.49 -0.13 -1.61 0.00 0.00 0.00 175.10 174.10 1b96 s GLU 64 N 0.56 1.87 0.33 2.72 2.02 -0.49 -4.98 118.70 120.73 1b96 s GLU 64 Ca -0.04 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.52 1b96 s GLU 64 Cb -0.15 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.52 1b96 s GLU 64 CO 0.03 0.02 0.49 -1.21 0.02 0.00 0.00 175.26 174.61 1b96 s GLU 65 N 0.72 3.25 0.53 1.61 2.02 -1.26 -0.72 118.70 124.85 1b96 s GLU 65 Ca -0.13 -0.74 -0.21 0.00 0.02 0.00 0.00 54.97 53.91 1b96 s GLU 65 Cb -0.16 -2.76 -0.07 0.00 0.10 0.00 0.00 34.13 31.24 1b96 s GLU 65 CO 0.03 0.11 1.10 -2.30 0.02 0.00 0.00 175.26 174.21 1b96 n PRO 66 N -1.69 1.28 -0.08 0.39 -0.02 -1.26 -4.89 135.00 128.74 1b96 n PRO 66 Ca -0.03 0.48 -0.06 0.00 -2.02 0.00 0.00 63.50 61.86 1b96 n PRO 66 Cb 0.57 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.65 1b96 n PRO 66 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1b96 n LYS 67 N -0.65 0.85 -4.25 -0.52 0.00 -1.26 -4.91 118.16 107.42 1b96 n LYS 67 Ca 0.11 -0.04 -0.30 0.00 -0.00 0.00 0.00 58.31 58.08 1b96 n LYS 67 Cb 0.44 -1.49 -0.10 0.00 -0.00 0.00 0.00 35.03 33.89 1b96 n LYS 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1b96 s GLN 68 N -2.61 2.28 0.71 -1.58 -0.21 -1.26 -5.11 119.66 111.89 1b96 s GLN 68 Ca -0.09 -0.94 -0.11 0.00 0.02 0.00 0.00 55.36 54.24 1b96 s GLN 68 Cb 0.07 -2.38 0.02 0.00 1.00 0.00 0.00 33.01 31.71 1b96 s GLN 68 CO 0.79 0.53 1.07 -2.00 -2.12 0.00 0.00 175.29 173.56 1b96 s GLU 69 N -2.11 2.73 -1.38 2.91 2.12 -1.26 -3.96 118.70 117.76 1b96 s GLU 69 Ca 0.22 1.05 -0.06 0.00 0.36 0.00 0.00 54.97 56.53 1b96 s GLU 69 Cb -0.11 -1.96 0.01 0.00 0.26 0.00 0.00 34.13 32.32 1b96 s GLU 69 CO 0.14 -1.27 0.82 0.27 -0.54 0.00 0.00 175.26 174.68 1b96 n ASN 70 N -3.18 -5.99 -4.01 -1.70 6.94 -1.26 -5.00 115.26 101.06 1b96 n ASN 70 Ca 0.08 -0.38 -0.26 0.00 -0.02 0.00 0.00 54.58 54.00 1b96 n ASN 70 Cb 0.53 -4.72 -0.17 0.00 -2.36 0.00 0.00 39.78 33.07 1b96 n ASN 70 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1b96 s HIS 71 N -3.21 1.61 0.32 -2.53 3.76 -1.25 -4.73 115.29 109.26 1b96 s HIS 71 Ca 0.41 -0.68 -0.12 0.00 -0.15 0.00 0.00 55.06 54.51 1b96 s HIS 71 Cb -0.18 -1.20 -0.08 0.00 1.11 0.00 0.00 32.58 32.24 1b96 s HIS 71 CO 0.50 -0.37 0.70 -0.47 -0.85 0.00 0.00 174.74 174.25 1b96 s TYR 72 N 0.93 3.41 0.44 1.40 6.14 -0.16 -4.63 117.35 124.89 1b96 s TYR 72 Ca -0.09 1.08 0.06 0.00 0.64 0.00 0.00 57.07 58.76 1b96 s TYR 72 Cb -0.15 -2.44 0.06 0.00 0.42 0.00 0.00 41.96 39.85 1b96 s TYR 72 CO 0.00 0.08 0.50 -0.35 0.64 0.00 0.00 175.55 176.43 1b96 n PRO 73 N -0.58 0.76 0.14 4.97 -0.04 -1.26 0.59 135.00 139.57 1b96 n PRO 73 Ca 0.02 -2.51 -0.13 0.00 -0.04 0.00 0.00 63.50 60.84 1b96 n PRO 73 Cb 0.53 -0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 1b96 n PRO 73 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1b96 h ASP 74 N 0.24 -0.42 -3.30 3.54 3.32 -1.78 -3.38 116.42 114.64 1b96 h ASP 74 Ca -0.23 0.04 -0.63 0.00 0.02 0.00 0.00 57.03 56.22 1b96 h ASP 74 Cb 0.97 0.14 -0.34 0.00 0.22 0.00 0.00 39.33 40.33 1b96 h ASP 74 CO 0.35 -0.25 -0.86 -0.36 -1.72 0.00 0.00 179.24 176.40 1b96 s PHE 75 N -6.12 2.27 -0.30 4.55 0.08 0.03 -4.10 117.98 114.39 1b96 s PHE 75 Ca -0.15 -1.01 -0.04 0.00 0.12 0.00 0.00 56.93 55.85 1b96 s PHE 75 Cb 0.06 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.98 1b96 s PHE 75 CO 0.65 -0.45 0.04 0.99 -0.10 0.00 0.00 175.22 176.34 1b96 s THR 76 N 0.65 3.47 -0.15 0.64 2.01 0.10 -0.44 115.64 121.93 1b96 s THR 76 Ca -0.13 -1.03 -0.07 0.00 0.31 0.00 0.00 61.69 60.78 1b96 s THR 76 Cb -0.16 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1b96 s THR 76 CO 0.03 -0.00 0.10 -0.76 -0.69 0.00 0.00 174.62 173.30 1b96 s LEU 77 N 1.38 4.10 -0.20 4.42 1.02 0.18 -1.40 118.68 128.18 1b96 s LEU 77 Ca -0.01 0.28 -0.27 0.00 0.02 0.00 0.00 54.13 54.15 1b96 s LEU 77 Cb -0.18 -2.01 0.07 0.00 0.02 0.00 0.00 46.19 44.09 1b96 s LEU 77 CO 0.00 0.30 0.73 -0.72 0.02 0.00 0.00 176.35 176.68 1b96 s TYR 78 N -0.35 -0.72 0.26 0.29 1.13 -0.86 -0.54 117.35 116.55 1b96 s TYR 78 Ca 0.10 1.62 -0.21 0.00 -1.41 0.00 0.00 57.07 57.17 1b96 s TYR 78 Cb -0.12 0.32 -0.09 0.00 -1.10 0.00 0.00 41.96 40.98 1b96 s TYR 78 CO 0.01 -0.44 0.79 0.15 -2.51 0.00 0.00 175.55 173.56 1b96 s LYS 79 N -0.12 4.33 0.48 -3.49 1.02 -1.26 -0.18 119.74 120.52 1b96 s LYS 79 Ca -0.03 0.99 0.28 0.00 0.02 0.00 0.00 55.97 57.23 1b96 s LYS 79 Cb -0.03 -2.82 0.90 0.00 -0.52 0.00 0.00 37.83 35.36 1b96 s LYS 79 CO 0.03 0.34 1.81 -1.00 -0.92 0.00 0.00 175.35 175.61 1b96 h PRO 80 N 3.25 0.00 0.00 -1.68 0.14 -1.99 -2.90 132.00 128.82 1b96 h PRO 80 Ca -0.48 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.64 1b96 h PRO 80 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.33 1b96 h PRO 80 CO 0.65 0.07 -0.12 0.66 0.14 0.00 0.00 178.00 179.40 1b96 h SER 81 N 0.00 0.00 -2.67 1.44 4.64 -1.96 -3.36 113.55 111.63 1b96 h SER 81 Ca -0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1b96 h SER 81 Cb 0.75 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.44 1b96 h SER 81 CO 0.01 0.12 -0.74 -0.62 -0.87 0.00 0.00 176.83 174.72 1b96 n GLU 82 N -3.17 1.32 0.19 4.77 -0.58 -1.09 -4.98 120.64 117.10 1b96 n GLU 82 Ca 0.02 -4.00 0.14 0.00 -0.42 0.00 0.00 57.16 52.90 1b96 n GLU 82 Cb 0.48 -2.01 0.65 0.00 -0.57 0.00 0.00 31.44 30.00 1b96 n GLU 82 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1b96 h PRO 83 N 5.21 0.00 -0.37 3.49 0.13 -1.73 -2.69 132.00 136.04 1b96 h PRO 83 Ca 0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 1b96 h PRO 83 Cb 0.80 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 1b96 h PRO 83 CO 0.60 0.00 0.03 0.09 -0.23 0.00 0.00 178.00 178.49 1b96 n ASN 84 N -2.51 3.99 -0.74 1.44 3.02 -1.26 -4.38 115.26 114.82 1b96 n ASN 84 Ca 0.00 -3.15 0.03 0.00 -0.03 0.00 0.00 54.58 51.44 1b96 n ASN 84 Cb 0.17 -0.60 0.20 0.00 -0.61 0.00 0.00 39.78 38.94 1b96 n ASN 84 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1b96 n LYS 85 N -0.45 1.73 -1.85 3.52 4.76 -1.02 -4.43 118.16 120.42 1b96 n LYS 85 Ca 0.26 -3.13 -0.40 0.00 -2.87 0.00 0.00 58.31 52.17 1b96 n LYS 85 Cb 1.01 -1.69 0.01 0.00 -1.84 0.00 0.00 35.03 32.52 1b96 n LYS 85 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1b96 s LYS 86 N -3.16 3.89 -0.13 1.97 1.02 -0.91 -4.64 119.74 117.79 1b96 s LYS 86 Ca 0.40 2.42 -0.01 0.00 0.02 0.00 0.00 55.97 58.80 1b96 s LYS 86 Cb 0.37 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1b96 s LYS 86 CO -0.02 -0.65 -0.11 0.42 -0.92 0.00 0.00 175.35 174.07 1b96 s ILE 87 N -1.18 3.22 -0.23 2.17 1.01 0.30 -0.79 121.20 125.69 1b96 s ILE 87 Ca 0.57 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 1b96 s ILE 87 Cb -0.44 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1b96 s ILE 87 CO 0.57 0.52 0.09 0.00 0.00 0.00 0.00 174.94 176.13 1b96 s ALA 88 N 0.26 3.35 -0.15 9.38 0.00 -0.44 -0.65 121.76 133.50 1b96 s ALA 88 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1b96 s ALA 88 Cb -0.15 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.89 1b96 s ALA 88 CO 0.05 -0.21 -0.19 0.42 0.00 0.00 0.00 175.76 175.83 1b96 s ILE 89 N 1.10 1.89 -0.07 0.00 1.01 0.42 0.50 121.20 126.06 1b96 s ILE 89 Ca 0.05 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1b96 s ILE 89 Cb -0.14 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 1b96 s ILE 89 CO 0.04 0.52 -0.24 -0.62 0.00 0.00 0.00 174.94 174.63 1b96 s ASP 90 N 1.08 3.00 -0.06 3.58 2.15 -0.66 -0.79 116.67 124.97 1b96 s ASP 90 Ca -0.02 -0.52 -0.18 0.00 0.43 0.00 0.00 52.55 52.27 1b96 s ASP 90 Cb -0.14 -1.05 -0.05 0.00 -0.30 0.00 0.00 42.92 41.38 1b96 s ASP 90 CO -0.06 0.20 0.48 -0.63 -0.17 0.00 0.00 175.17 174.99 1b96 s ILE 91 N 0.06 5.08 -0.03 4.11 1.09 -1.26 -0.13 121.20 130.12 1b96 s ILE 91 Ca -0.10 0.98 0.03 0.00 -1.10 0.00 0.00 60.65 60.46 1b96 s ILE 91 Cb -0.15 -3.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.44 1b96 s ILE 91 CO 0.06 0.41 -0.10 -0.54 -0.10 0.00 0.00 174.94 174.67 1b96 s LYS 92 N -0.00 1.13 0.14 2.79 -0.14 -0.22 -4.92 119.74 118.52 1b96 s LYS 92 Ca 0.26 -0.36 0.10 0.00 -1.36 0.00 0.00 55.97 54.62 1b96 s LYS 92 Cb -0.16 -1.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.91 1b96 s LYS 92 CO 0.12 0.13 -0.24 0.99 -0.76 0.00 0.00 175.35 175.59 1b96 s THR 93 N 0.20 2.12 0.28 2.17 2.01 -1.26 -1.22 115.64 119.94 1b96 s THR 93 Ca -0.04 -1.77 -0.18 0.00 0.31 0.00 0.00 61.69 60.01 1b96 s THR 93 Cb -0.10 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.52 1b96 s THR 93 CO 0.01 -0.02 0.63 0.28 -0.69 0.00 0.00 174.62 174.84 1b96 s THR 94 N -1.28 0.00 0.34 -0.82 -1.32 -0.67 -4.92 115.64 106.97 1b96 s THR 94 Ca 0.14 -1.15 0.07 0.00 -1.21 0.00 0.00 61.69 59.53 1b96 s THR 94 Cb -0.09 -2.13 -0.07 0.00 -1.51 0.00 0.00 72.50 68.70 1b96 s THR 94 CO 0.06 0.00 -0.02 -0.72 -2.21 0.00 0.00 174.62 171.73 1b96 s TYR 95 N -3.85 2.18 0.05 9.09 -0.85 -1.26 -2.07 117.35 120.64 1b96 s TYR 95 Ca 0.16 -0.72 0.05 0.00 -0.52 0.00 0.00 57.07 56.04 1b96 s TYR 95 Cb -0.04 -1.37 -0.02 0.00 0.38 0.00 0.00 41.96 40.90 1b96 s TYR 95 CO 0.08 0.31 -0.14 0.95 -1.52 0.00 0.00 175.55 175.23 1b96 s THR 96 N -2.93 1.11 0.05 -3.49 -4.23 0.76 -4.84 115.64 102.07 1b96 s THR 96 Ca 0.33 -1.13 -0.14 0.00 -1.18 0.00 0.00 61.69 59.57 1b96 s THR 96 Cb 0.06 -1.04 -0.31 0.00 1.34 0.00 0.00 72.50 72.56 1b96 s THR 96 CO 0.15 -0.09 1.08 0.78 -0.54 0.00 0.00 174.62 176.00 1b96 h ASN 97 N 4.66 0.83 -3.83 3.99 2.35 -1.93 -2.61 115.58 119.05 1b96 h ASN 97 Ca -0.39 -0.81 -0.38 0.00 -0.55 0.00 0.00 56.30 54.17 1b96 h ASN 97 Cb 1.18 -0.26 -0.14 0.00 0.05 0.00 0.00 38.32 39.15 1b96 h ASN 97 CO 0.42 1.62 -0.67 -0.54 -1.65 0.00 0.00 177.43 176.62 1b96 s LYS 98 N -2.83 1.31 0.00 0.81 3.01 -1.26 -4.69 119.74 116.09 1b96 s LYS 98 Ca -0.09 -1.65 0.02 0.00 -1.01 0.00 0.00 55.97 53.25 1b96 s LYS 98 Cb 0.05 -0.65 0.15 0.00 -1.01 0.00 0.00 37.83 36.37 1b96 s LYS 98 CO 0.93 -0.06 0.94 0.39 0.51 0.00 0.00 175.35 178.06 1b96 n GLU 99 N -0.40 0.84 -0.16 1.68 -0.58 -1.26 -3.66 120.64 117.10 1b96 n GLU 99 Ca -0.06 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.70 1b96 n GLU 99 Cb 0.63 -1.05 0.03 0.00 -0.57 0.00 0.00 31.44 30.48 1b96 n GLU 99 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1b96 n ASN 100 N -0.55 0.88 -4.89 1.62 5.03 -1.26 -5.06 115.26 111.02 1b96 n ASN 100 Ca 0.02 -1.91 -0.21 0.00 0.87 0.00 0.00 54.58 53.35 1b96 n ASN 100 Cb 0.01 -0.14 0.07 0.00 -1.02 0.00 0.00 39.78 38.69 1b96 n ASN 100 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1b96 s GLU 101 N -0.77 2.21 0.11 3.52 2.02 -1.24 -5.04 118.70 119.51 1b96 s GLU 101 Ca 0.06 -1.23 -0.19 0.00 0.02 0.00 0.00 54.97 53.63 1b96 s GLU 101 Cb 0.06 -2.52 -0.07 0.00 0.10 0.00 0.00 34.13 31.69 1b96 s GLU 101 CO 0.01 -0.95 0.61 0.15 0.02 0.00 0.00 175.26 175.09 1b96 s LYS 102 N -4.80 4.21 0.44 1.61 1.02 -1.26 -4.60 119.74 116.36 1b96 s LYS 102 Ca 0.61 0.76 0.06 0.00 0.02 0.00 0.00 55.97 57.42 1b96 s LYS 102 Cb -0.07 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1b96 s LYS 102 CO 0.40 0.58 0.07 0.96 -0.92 0.00 0.00 175.35 176.44 1b96 s ILE 103 N -1.22 1.87 -0.02 2.17 -4.36 0.51 -4.87 121.20 115.28 1b96 s ILE 103 Ca 0.33 -1.90 -0.25 0.00 -0.26 0.00 0.00 60.65 58.57 1b96 s ILE 103 Cb -0.19 -2.77 0.05 0.00 1.25 0.00 0.00 42.46 40.80 1b96 s ILE 103 CO 0.20 0.00 0.54 -1.59 0.24 0.00 0.00 174.94 174.33 1b96 s LYS 104 N -3.82 0.94 0.22 0.37 -2.85 -1.26 -2.07 119.74 111.25 1b96 s LYS 104 Ca 0.30 0.03 0.08 0.00 -1.00 0.00 0.00 55.97 55.38 1b96 s LYS 104 Cb 0.06 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.22 1b96 s LYS 104 CO 0.16 -0.29 -0.13 -0.06 0.10 0.00 0.00 175.35 175.12 1b96 s PHE 105 N -1.46 1.75 -0.24 1.78 0.40 -1.26 -4.86 117.98 114.09 1b96 s PHE 105 Ca -0.11 -0.59 -0.09 0.00 -0.60 0.00 0.00 56.93 55.55 1b96 s PHE 105 Cb -0.02 -0.84 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 1b96 s PHE 105 CO 0.06 0.35 0.11 0.95 0.70 0.00 0.00 175.22 177.40 1b96 s THR 106 N -2.97 4.82 -0.42 0.64 -4.23 -1.26 -1.74 115.64 110.48 1b96 s THR 106 Ca 0.24 -0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.79 1b96 s THR 106 Cb -0.00 -3.25 0.60 0.00 1.34 0.00 0.00 72.50 71.19 1b96 s THR 106 CO 0.08 0.34 1.79 0.18 -0.54 0.00 0.00 174.62 176.47 1b96 n LEU 107 N 4.60 6.08 0.00 4.79 4.77 -0.14 -4.95 117.00 132.14 1b96 n LEU 107 Ca -0.15 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.08 1b96 n LEU 107 Cb 0.52 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1b96 n LEU 107 CO 0.33 1.17 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 1b96 n GLY 108 N -1.12 1.29 3.66 -0.72 0.00 -1.26 -4.70 105.19 102.34 1b96 n GLY 108 Ca 0.53 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1b96 n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b96 s GLY 109 N -0.78 1.68 0.00 -0.02 0.00 -1.26 -0.23 107.32 106.71 1b96 s GLY 109 Ca 0.00 0.55 0.06 0.00 0.00 0.00 0.00 44.72 45.33 1b96 s GLY 109 CO 0.00 0.99 0.90 1.58 0.00 0.00 0.00 173.10 176.56 1b96 n TYR 110 N -4.30 0.12 -0.08 1.90 0.18 0.12 -4.55 117.16 110.53 1b96 n TYR 110 Ca 0.11 -0.22 0.00 0.00 1.88 0.00 0.00 57.90 59.67 1b96 n TYR 110 Cb 0.52 -0.02 0.00 0.00 -0.38 0.00 0.00 39.34 39.47 1b96 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1b96 n THR 111 N 0.24 0.07 0.00 -3.48 -2.24 -1.26 -4.63 114.28 102.97 1b96 n THR 111 Ca 0.05 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1b96 n THR 111 Cb 0.24 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1b96 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b96 n SER 112 N -0.04 0.00 0.28 3.42 3.41 -1.26 -4.54 113.62 114.90 1b96 n SER 112 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1b96 n SER 112 Cb 0.04 0.00 0.83 0.00 -0.26 0.00 0.00 64.21 64.82 1b96 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1b96 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.55 -0.66 116.94 116.91 1b96 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1b96 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1b96 h PHE 113 CO 0.00 0.07 0.00 -0.84 -2.00 0.00 0.00 178.31 175.54 1b96 h ILE 114 N 0.00 0.00 -0.00 0.88 3.07 -1.88 -3.21 117.51 116.37 1b96 h ILE 114 Ca -0.00 -0.42 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1b96 h ILE 114 Cb 0.24 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.11 1b96 h ILE 114 CO 0.01 0.00 -0.23 0.54 -1.05 0.00 0.00 178.15 177.42 1b96 n ARG 115 N -2.36 5.02 -3.64 0.16 1.74 -0.44 -4.89 116.66 112.25 1b96 n ARG 115 Ca 0.04 -0.04 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 1b96 n ARG 115 Cb 0.35 -0.76 -0.16 0.00 -1.02 0.00 0.00 32.46 30.87 1b96 n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1b96 s ASN 116 N -1.44 1.04 0.31 0.55 3.84 -0.39 -5.05 114.94 113.80 1b96 s ASN 116 Ca 0.02 0.14 0.07 0.00 0.21 0.00 0.00 52.86 53.30 1b96 s ASN 116 Cb 0.04 0.19 0.86 0.00 -0.55 0.00 0.00 41.25 41.79 1b96 s ASN 116 CO 0.21 -0.27 1.66 -1.13 -2.79 0.00 0.00 177.10 174.78 1b96 h ASN 117 N 8.37 0.23 -0.22 -4.21 -1.24 -1.86 -2.39 115.58 114.27 1b96 h ASN 117 Ca -0.14 0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1b96 h ASN 117 Cb 1.12 0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.38 1b96 h ASN 117 CO 0.18 -0.13 0.00 0.35 -1.29 0.00 0.00 177.43 176.53 1b96 n THR 118 N -5.14 2.07 -3.27 -3.57 -2.24 -1.26 -0.08 114.28 100.79 1b96 n THR 118 Ca 0.26 -1.84 -0.40 0.00 -2.27 0.00 0.00 64.05 59.79 1b96 n THR 118 Cb 0.80 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.78 1b96 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b96 s LYS 119 N -2.63 4.01 -1.41 -0.78 2.20 -0.90 -4.30 119.74 115.94 1b96 s LYS 119 Ca 0.38 0.22 -0.09 0.00 -0.36 0.00 0.00 55.97 56.11 1b96 s LYS 119 Cb 0.30 -3.67 0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1b96 s LYS 119 CO 0.08 -0.36 1.03 0.09 -0.36 0.00 0.00 175.35 175.83 1b96 n ASN 120 N 5.52 -4.65 -3.83 1.43 4.13 -1.26 -2.21 115.26 114.38 1b96 n ASN 120 Ca -0.05 -0.68 -0.13 0.00 1.68 0.00 0.00 54.58 55.40 1b96 n ASN 120 Cb 0.50 -4.47 -0.15 0.00 -1.54 0.00 0.00 39.78 34.13 1b96 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1b96 s ILE 121 N -3.36 -0.02 0.16 2.41 2.07 -1.26 -0.98 121.20 120.22 1b96 s ILE 121 Ca 0.48 0.08 -0.15 0.00 -1.41 0.00 0.00 60.65 59.65 1b96 s ILE 121 Cb -0.23 -0.04 0.04 0.00 0.13 0.00 0.00 42.46 42.35 1b96 s ILE 121 CO 0.78 0.03 1.78 0.58 -1.91 0.00 0.00 174.94 176.20 1b96 h VAL 122 N 5.56 0.98 -3.26 4.00 2.07 -0.15 -3.42 116.25 122.03 1b96 h VAL 122 Ca -0.32 -0.15 -0.56 0.00 0.82 0.00 0.00 66.70 66.50 1b96 h VAL 122 Cb 1.18 0.51 -0.18 0.00 -1.52 0.00 0.00 31.29 31.28 1b96 h VAL 122 CO 0.50 0.08 -0.79 -0.31 0.02 0.00 0.00 177.57 177.06 1b96 s TYR 123 N -6.15 1.94 0.19 1.57 1.51 -1.26 -5.09 117.35 110.06 1b96 s TYR 123 Ca -0.13 -0.44 -0.31 0.00 -1.01 0.00 0.00 57.07 55.18 1b96 s TYR 123 Cb 0.12 -0.96 -0.16 0.00 -0.11 0.00 0.00 41.96 40.85 1b96 s TYR 123 CO 0.72 0.38 0.99 -2.30 -1.11 0.00 0.00 175.55 174.23 1b96 n PRO 124 N 0.28 0.90 -0.32 -1.71 -0.02 -1.26 -4.85 135.00 128.01 1b96 n PRO 124 Ca -0.13 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.76 1b96 n PRO 124 Cb 0.57 -1.69 0.26 0.00 -0.02 0.00 0.00 33.50 32.62 1b96 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1b96 h PHE 125 N 2.54 0.90 0.00 6.00 3.57 -0.81 -1.23 116.94 127.92 1b96 h PHE 125 Ca -0.40 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1b96 h PHE 125 Cb 1.37 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1b96 h PHE 125 CO 0.50 0.21 0.00 -0.40 -2.23 0.00 0.00 178.31 176.40 1b96 n ASP 126 N -4.82 0.00 -0.04 0.41 5.68 -1.26 -1.77 116.55 114.74 1b96 n ASP 126 Ca 0.20 -0.01 0.13 0.00 -0.50 0.00 0.00 54.79 54.61 1b96 n ASP 126 Cb 0.49 -0.23 0.50 0.00 -1.14 0.00 0.00 41.12 40.73 1b96 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b96 n GLN 127 N -1.23 0.24 -3.68 0.11 6.02 -0.46 -4.84 117.38 113.54 1b96 n GLN 127 Ca 0.07 -0.08 -0.36 0.00 -0.01 0.00 0.00 57.00 56.62 1b96 n GLN 127 Cb 0.10 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.79 1b96 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b96 s TYR 128 N -2.81 3.47 -1.46 1.08 1.51 -0.73 -2.13 117.35 116.27 1b96 s TYR 128 Ca 0.18 0.47 0.17 0.00 -1.01 0.00 0.00 57.07 56.89 1b96 s TYR 128 Cb 0.19 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1b96 s TYR 128 CO 0.56 0.35 0.87 0.44 -1.11 0.00 0.00 175.55 176.67 1b96 n ILE 129 N 3.25 0.00 -3.70 2.71 -5.35 0.03 -4.91 119.36 111.39 1b96 n ILE 129 Ca -0.15 -0.28 -0.14 0.00 -0.27 0.00 0.00 62.75 61.91 1b96 n ILE 129 Cb 0.52 1.17 -0.08 0.00 -1.74 0.00 0.00 39.64 39.51 1b96 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b96 s ALA 130 N -2.13 -1.10 -0.32 -1.28 0.00 -1.23 -5.06 121.76 110.64 1b96 s ALA 130 Ca 0.13 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1b96 s ALA 130 Cb 0.14 -0.20 0.11 0.00 0.00 0.00 0.00 23.12 23.17 1b96 s ALA 130 CO 0.49 -0.27 0.15 -1.01 0.00 0.00 0.00 175.76 175.12 1b96 s HIS 131 N -0.81 0.73 0.03 0.00 3.76 -1.26 -1.33 115.29 116.41 1b96 s HIS 131 Ca -0.09 -1.29 -0.04 0.00 -0.15 0.00 0.00 55.06 53.49 1b96 s HIS 131 Cb -0.03 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.53 1b96 s HIS 131 CO 0.04 -0.83 0.25 -1.58 -0.85 0.00 0.00 174.74 171.77 1b96 s TRP 132 N 1.66 3.54 -0.15 1.40 0.51 0.18 -0.23 118.94 125.85 1b96 s TRP 132 Ca 0.12 0.44 -0.03 0.00 -2.12 0.00 0.00 56.10 54.52 1b96 s TRP 132 Cb -0.19 -1.90 -0.02 0.00 -0.81 0.00 0.00 33.47 30.55 1b96 s TRP 132 CO -0.23 0.59 -0.07 0.42 -0.51 0.00 0.00 176.95 177.16 1b96 s ILE 133 N -1.40 3.58 -0.36 2.03 -1.09 0.20 -1.65 121.20 122.52 1b96 s ILE 133 Ca 0.31 -0.47 -0.13 0.00 -2.23 0.00 0.00 60.65 58.14 1b96 s ILE 133 Cb -0.13 -2.55 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1b96 s ILE 133 CO 0.20 0.50 0.24 -0.63 -1.23 0.00 0.00 174.94 174.02 1b96 s ILE 134 N 0.43 5.07 -0.20 2.92 1.01 0.81 -1.70 121.20 129.54 1b96 s ILE 134 Ca -0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 1b96 s ILE 134 Cb -0.15 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1b96 s ILE 134 CO 0.04 -0.11 0.11 -0.83 0.00 0.00 0.00 174.94 174.14 1b96 s GLY 135 N 1.67 1.98 -0.13 6.18 0.00 -0.26 -1.05 107.32 115.71 1b96 s GLY 135 Ca 0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 1b96 s GLY 135 CO 0.09 0.15 -0.13 -0.19 0.00 0.00 0.00 173.10 173.02 1b96 s TYR 136 N 0.47 2.81 -0.12 1.90 2.02 -0.36 -1.34 117.35 122.73 1b96 s TYR 136 Ca 0.06 -0.63 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1b96 s TYR 136 Cb -0.12 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 1b96 s TYR 136 CO -0.00 -0.21 -0.22 0.08 -1.57 0.00 0.00 175.55 173.63 1b96 s VAL 137 N 0.34 2.01 0.11 0.71 1.01 -0.13 -1.67 120.40 122.79 1b96 s VAL 137 Ca -0.11 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1b96 s VAL 137 Cb -0.16 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1b96 s VAL 137 CO 0.06 0.54 -0.18 -0.72 0.00 0.00 0.00 175.10 174.80 1b96 s TYR 138 N 0.68 1.65 -0.24 5.22 1.13 -0.88 -0.00 117.35 124.90 1b96 s TYR 138 Ca -0.11 -0.46 -0.16 0.00 -1.41 0.00 0.00 57.07 54.94 1b96 s TYR 138 Cb -0.16 -0.88 -0.04 0.00 -1.10 0.00 0.00 41.96 39.78 1b96 s TYR 138 CO 0.02 0.20 0.40 0.99 -2.51 0.00 0.00 175.55 174.64 1b96 s THR 139 N -1.53 5.18 0.65 -3.49 2.01 -0.09 -0.17 115.64 118.19 1b96 s THR 139 Ca 0.08 0.66 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1b96 s THR 139 Cb -0.08 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1b96 s THR 139 CO 0.04 0.20 1.27 -0.13 -0.69 0.00 0.00 174.62 175.31 1b96 s ARG 140 N 1.73 2.57 0.40 4.92 0.52 -0.98 -1.56 118.95 126.54 1b96 s ARG 140 Ca 0.17 1.99 -0.13 0.00 -0.52 0.00 0.00 55.73 57.24 1b96 s ARG 140 Cb -0.15 -1.86 -0.08 0.00 0.52 0.00 0.00 34.95 33.38 1b96 s ARG 140 CO 0.09 -1.56 0.80 0.14 0.02 0.00 0.00 175.30 174.78 1b96 s VAL 141 N -1.49 4.69 0.41 3.52 -7.23 -1.26 -4.59 120.40 114.45 1b96 s VAL 141 Ca 0.81 0.87 0.18 0.00 -1.81 0.00 0.00 61.98 62.03 1b96 s VAL 141 Cb -0.35 -3.68 0.19 0.00 0.56 0.00 0.00 36.38 33.10 1b96 s VAL 141 CO 0.39 -0.42 1.97 0.00 -0.31 0.00 0.00 175.10 176.73 1b96 h ALA 142 N 1.57 1.46 -2.54 1.32 0.00 -1.96 -3.43 119.26 115.69 1b96 h ALA 142 Ca -0.47 -0.20 -0.53 0.00 0.00 0.00 0.00 54.91 53.71 1b96 h ALA 142 Cb 1.18 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1b96 h ALA 142 CO 0.64 0.27 0.57 -0.08 0.00 0.00 0.00 179.25 180.65 1b96 s THR 143 N -4.35 3.86 -0.39 0.00 -1.32 -1.26 -4.94 115.64 107.24 1b96 s THR 143 Ca -0.03 1.39 0.06 0.00 -1.21 0.00 0.00 61.69 61.89 1b96 s THR 143 Cb 0.14 -3.89 0.51 0.00 -1.51 0.00 0.00 72.50 67.75 1b96 s THR 143 CO 0.67 0.14 1.58 0.54 -2.21 0.00 0.00 174.62 175.33 1b96 n ARG 144 N 3.54 2.41 -3.06 7.08 1.74 -1.26 -4.71 116.66 122.40 1b96 n ARG 144 Ca 0.08 -3.39 -0.15 0.00 -0.77 0.00 0.00 57.85 53.61 1b96 n ARG 144 Cb 0.46 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1b96 n ARG 144 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1b96 n LYS 145 N -1.01 0.98 -0.77 5.56 5.02 -1.26 -5.13 118.16 121.55 1b96 n LYS 145 Ca 0.45 -2.98 -0.33 0.00 -2.02 0.00 0.00 58.31 53.43 1b96 n LYS 145 Cb 1.03 -1.52 0.13 0.00 -0.02 0.00 0.00 35.03 34.66 1b96 n LYS 145 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1b96 n SER 146 N 0.30 -1.90 -4.57 4.39 7.64 -1.26 -4.83 113.62 113.38 1b96 n SER 146 Ca 0.20 0.30 -0.45 0.00 1.01 0.00 0.00 58.87 59.92 1b96 n SER 146 Cb 0.67 -1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 1b96 n SER 146 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1b96 n SER 147 N -1.63 1.07 -0.07 6.43 2.88 -1.26 -4.90 113.62 116.14 1b96 n SER 147 Ca 0.07 1.17 0.06 0.00 -1.33 0.00 0.00 58.87 58.84 1b96 n SER 147 Cb 0.54 -1.25 0.09 0.00 -0.75 0.00 0.00 64.21 62.84 1b96 n SER 147 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1b96 n LEU 148 N 1.35 2.26 -4.53 2.46 4.77 -1.26 -4.83 117.00 117.23 1b96 n LEU 148 Ca 0.11 -2.70 -0.25 0.00 -0.03 0.00 0.00 56.01 53.14 1b96 n LEU 148 Cb 0.31 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1b96 n LEU 148 CO 0.60 0.64 -0.27 -1.59 -1.33 0.00 0.00 177.39 175.44 1b96 s LYS 149 N -2.22 1.80 0.29 3.23 -2.85 -1.26 -5.12 119.74 113.62 1b96 s LYS 149 Ca 0.21 -2.02 0.07 0.00 -1.00 0.00 0.00 55.97 53.22 1b96 s LYS 149 Cb 0.18 -1.12 -0.03 0.00 -2.06 0.00 0.00 37.83 34.80 1b96 s LYS 149 CO 0.02 -0.18 0.31 0.95 0.10 0.00 0.00 175.35 176.55 1b96 s THR 150 N -3.09 4.22 0.26 3.79 -4.23 -1.26 -4.37 115.64 110.96 1b96 s THR 150 Ca 0.33 -1.24 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1b96 s THR 150 Cb 0.08 -3.41 -0.06 0.00 1.34 0.00 0.00 72.50 70.45 1b96 s THR 150 CO 0.15 -0.25 0.01 -0.31 -0.54 0.00 0.00 174.62 173.68 1b96 s TYR 151 N -2.17 1.70 0.38 3.99 1.51 0.45 -4.97 117.35 118.25 1b96 s TYR 151 Ca 0.38 -0.91 0.08 0.00 -1.01 0.00 0.00 57.07 55.61 1b96 s TYR 151 Cb -0.08 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 40.75 1b96 s TYR 151 CO 0.27 0.01 0.40 0.54 -1.11 0.00 0.00 175.55 175.66 1b96 s ASN 152 N -3.36 5.37 0.39 2.29 2.20 -1.26 -0.30 114.94 120.26 1b96 s ASN 152 Ca 0.31 -0.53 0.09 0.00 -0.94 0.00 0.00 52.86 51.79 1b96 s ASN 152 Cb 0.06 -0.81 0.85 0.00 -2.00 0.00 0.00 41.25 39.35 1b96 s ASN 152 CO 0.11 -0.55 1.96 0.40 -2.94 0.00 0.00 177.10 176.08 1b96 h ILE 153 N 1.00 0.96 0.00 0.54 2.04 -1.99 -1.15 117.51 118.91 1b96 h ILE 153 Ca -0.43 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1b96 h ILE 153 Cb 1.26 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1b96 h ILE 153 CO 0.55 0.11 0.00 0.59 0.00 0.00 0.00 178.15 179.40 1b96 n ASN 154 N -4.48 0.00 -0.56 1.72 3.02 -1.26 -3.25 115.26 110.44 1b96 n ASN 154 Ca 0.11 -0.56 0.05 0.00 -0.03 0.00 0.00 54.58 54.15 1b96 n ASN 154 Cb 0.30 -0.09 0.12 0.00 -0.61 0.00 0.00 39.78 39.49 1b96 n ASN 154 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1b96 n GLU 155 N -1.09 2.15 -0.43 3.52 1.02 -0.43 -4.78 120.64 120.59 1b96 n GLU 155 Ca 0.17 -1.76 0.36 0.00 -0.02 0.00 0.00 57.16 55.91 1b96 n GLU 155 Cb 0.12 -1.24 0.64 0.00 -0.02 0.00 0.00 31.44 30.93 1b96 n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1b96 h LEU 156 N 2.00 0.26 -0.25 -4.62 3.38 -1.65 0.64 115.31 115.07 1b96 h LEU 156 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1b96 h LEU 156 Cb 0.64 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1b96 h LEU 156 CO 0.00 -0.22 0.00 0.59 0.09 0.00 0.00 178.44 178.90 1b96 n ASN 157 N -4.78 0.39 0.00 -0.43 4.13 -1.26 -3.06 115.26 110.25 1b96 n ASN 157 Ca 0.37 -1.19 0.11 0.00 1.68 0.00 0.00 54.58 55.56 1b96 n ASN 157 Cb 1.41 -0.00 0.09 0.00 -1.54 0.00 0.00 39.78 39.73 1b96 n ASN 157 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1b96 n GLU 158 N -0.67 0.02 -2.68 3.52 1.02 0.22 -4.91 120.64 117.17 1b96 n GLU 158 Ca 0.21 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.92 1b96 n GLU 158 Cb 0.17 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 1b96 n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b96 s ILE 159 N -3.01 4.42 0.26 -3.67 1.01 -1.17 -5.00 121.20 114.03 1b96 s ILE 159 Ca 0.09 1.36 -0.31 0.00 0.00 0.00 0.00 60.65 61.80 1b96 s ILE 159 Cb 0.17 -4.46 -0.11 0.00 0.01 0.00 0.00 42.46 38.06 1b96 s ILE 159 CO 0.77 -0.70 1.63 -2.16 0.00 0.00 0.00 174.94 174.49 1b96 s PRO 160 N 3.89 4.13 -0.11 2.79 0.04 -1.26 -4.99 135.00 139.49 1b96 s PRO 160 Ca 0.44 2.57 -0.06 0.00 0.04 0.00 0.00 61.00 63.99 1b96 s PRO 160 Cb -0.10 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1b96 s PRO 160 CO 0.22 -0.67 0.12 0.15 0.04 0.00 0.00 177.00 176.87 1b96 s LYS 161 N 0.14 3.36 0.00 4.56 1.02 -1.26 -4.69 119.74 122.86 1b96 s LYS 161 Ca 0.67 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1b96 s LYS 161 Cb -0.48 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1b96 s LYS 161 CO 0.42 0.76 0.74 -0.35 -0.92 0.00 0.00 175.35 176.00 1b96 n PRO 162 N 1.93 0.88 -3.59 -1.68 -0.04 -1.26 -4.75 135.00 126.49 1b96 n PRO 162 Ca -0.19 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.10 1b96 n PRO 162 Cb 0.55 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.75 1b96 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1b96 s TYR 163 N -0.25 -0.54 -0.03 0.54 -0.85 -1.26 -4.08 117.35 110.89 1b96 s TYR 163 Ca 0.00 0.96 0.17 0.00 -0.52 0.00 0.00 57.07 57.67 1b96 s TYR 163 Cb 0.00 0.31 -0.26 0.00 0.38 0.00 0.00 41.96 42.39 1b96 s TYR 163 CO 0.00 -0.53 0.36 1.17 -1.52 0.00 0.00 175.55 175.03 1b96 n LYS 164 N 1.17 0.52 -3.58 -3.49 4.81 -0.60 -4.84 118.16 112.15 1b96 n LYS 164 Ca -0.19 -0.15 -0.15 0.00 -0.87 0.00 0.00 58.31 56.94 1b96 n LYS 164 Cb 0.57 -1.40 -0.06 0.00 0.02 0.00 0.00 35.03 34.15 1b96 n LYS 164 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1b96 s GLY 165 N -3.95 -0.53 -0.01 3.14 0.00 -1.26 -4.98 107.32 99.74 1b96 s GLY 165 Ca -0.06 1.75 0.03 0.00 0.00 0.00 0.00 44.72 46.44 1b96 s GLY 165 CO 0.70 1.38 -0.11 0.14 0.00 0.00 0.00 173.10 175.20 1b96 s VAL 166 N -0.38 0.85 0.07 1.40 1.01 -1.26 -0.91 120.40 121.18 1b96 s VAL 166 Ca -0.05 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1b96 s VAL 166 Cb -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1b96 s VAL 166 CO 0.05 0.24 -0.15 -0.54 0.00 0.00 0.00 175.10 174.69 1b96 s LYS 167 N -0.24 0.88 0.04 2.72 1.02 0.99 -4.96 119.74 120.19 1b96 s LYS 167 Ca 0.04 -0.98 0.03 0.00 0.02 0.00 0.00 55.97 55.08 1b96 s LYS 167 Cb -0.04 -0.93 -0.02 0.00 -0.52 0.00 0.00 37.83 36.32 1b96 s LYS 167 CO -0.00 0.21 -0.09 0.54 -0.92 0.00 0.00 175.35 175.09 1b96 s VAL 168 N -1.23 0.65 0.05 3.17 0.11 -1.26 -0.96 120.40 120.93 1b96 s VAL 168 Ca -0.00 -1.07 -0.02 0.00 -2.93 0.00 0.00 61.98 57.96 1b96 s VAL 168 Cb -0.10 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1b96 s VAL 168 CO 0.03 -0.32 -0.00 0.72 -3.33 0.00 0.00 175.10 172.20 1b96 s PHE 169 N -1.28 0.45 -0.11 1.54 -0.12 -0.45 -4.90 117.98 113.11 1b96 s PHE 169 Ca -0.08 -0.95 0.02 0.00 -0.05 0.00 0.00 56.93 55.87 1b96 s PHE 169 Cb -0.09 -0.33 0.01 0.00 -0.63 0.00 0.00 43.02 41.98 1b96 s PHE 169 CO 0.01 -0.38 -0.16 -1.17 -0.05 0.00 0.00 175.22 173.47 1b96 s LEU 170 N -2.76 1.75 0.07 -1.99 0.20 -1.26 -1.10 118.68 113.58 1b96 s LEU 170 Ca 0.04 -0.45 -0.15 0.00 0.69 0.00 0.00 54.13 54.26 1b96 s LEU 170 Cb 0.06 -1.13 0.03 0.00 -0.43 0.00 0.00 46.19 44.72 1b96 s LEU 170 CO -0.09 0.01 0.35 -1.58 -0.29 0.00 0.00 176.35 174.75 1b96 s GLN 171 N 1.01 0.91 0.42 1.98 2.00 -0.69 -4.98 119.66 120.32 1b96 s GLN 171 Ca -0.06 -0.54 -0.25 0.00 -2.00 0.00 0.00 55.36 52.51 1b96 s GLN 171 Cb -0.15 0.40 -0.08 0.00 0.80 0.00 0.00 33.01 33.98 1b96 s GLN 171 CO -0.02 -0.31 1.22 -0.51 -0.50 0.00 0.00 175.29 175.17 1b96 s ASP 172 N -2.28 6.31 0.16 6.67 1.01 -1.26 0.61 116.67 127.90 1b96 s ASP 172 Ca -0.02 2.47 -0.13 0.00 0.71 0.00 0.00 52.55 55.57 1b96 s ASP 172 Cb 0.00 -2.62 0.05 0.00 1.01 0.00 0.00 42.92 41.37 1b96 s ASP 172 CO -0.06 -0.83 1.74 0.50 0.21 0.00 0.00 175.17 176.73 1b96 h LYS 173 N 2.48 0.78 -0.49 8.23 3.64 -0.93 -3.11 116.57 127.17 1b96 h LYS 173 Ca -0.49 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 58.74 1b96 h LYS 173 Cb 1.24 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1b96 h LYS 173 CO 0.62 0.65 0.18 0.11 -2.27 0.00 0.00 179.45 178.73 1b96 h TRP 174 N 0.72 0.71 -0.45 1.91 5.08 -1.93 -2.64 115.95 119.35 1b96 h TRP 174 Ca 0.18 -0.04 -0.05 0.00 1.08 0.00 0.00 58.89 60.06 1b96 h TRP 174 Cb 0.13 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 26.05 1b96 h TRP 174 CO -0.00 0.57 0.07 0.28 -1.28 0.00 0.00 178.44 178.08 1b96 h VAL 175 N 0.70 1.21 -0.03 0.12 2.07 -1.93 -3.02 116.25 115.37 1b96 h VAL 175 Ca 0.17 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1b96 h VAL 175 Cb 0.17 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1b96 h VAL 175 CO -0.01 0.29 -0.03 2.30 0.02 0.00 0.00 177.57 180.14 1b96 n ILE 176 N -4.28 0.00 -2.02 4.57 -5.35 -1.10 -2.98 119.36 108.21 1b96 n ILE 176 Ca 0.03 -0.46 -0.39 0.00 -0.27 0.00 0.00 62.75 61.66 1b96 n ILE 176 Cb 0.24 1.40 0.01 0.00 -1.74 0.00 0.00 39.64 39.54 1b96 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b96 s ALA 177 N -2.03 3.07 0.00 -1.28 0.00 -1.01 0.45 121.76 120.95 1b96 s ALA 177 Ca 0.28 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1b96 s ALA 177 Cb 0.20 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1b96 s ALA 177 CO 0.32 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1b96 n GLY 178 N 0.62 3.35 0.18 0.00 0.00 0.14 -4.11 105.19 105.37 1b96 n GLY 178 Ca 0.06 -2.14 0.02 0.00 0.00 0.00 0.00 46.02 43.97 1b96 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b96 n ASP 179 N -1.64 1.31 -4.71 1.61 5.75 -1.26 -4.71 116.55 112.89 1b96 n ASP 179 Ca 0.00 -1.15 -0.35 0.00 -0.01 0.00 0.00 54.79 53.27 1b96 n ASP 179 Cb 0.00 0.10 -0.09 0.00 -1.03 0.00 0.00 41.12 40.10 1b96 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1b96 s LEU 180 N -0.59 3.84 0.61 -2.12 1.43 -1.26 -4.64 118.68 115.95 1b96 s LEU 180 Ca 0.06 0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.17 1b96 s LEU 180 Cb 0.04 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 1b96 s LEU 180 CO 0.07 0.31 0.89 0.00 0.23 0.00 0.00 176.35 177.86 1b96 n ALA 181 N 2.59 -0.06 0.42 4.21 0.00 -1.26 -2.71 120.51 123.70 1b96 n ALA 181 Ca -0.18 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.35 1b96 n ALA 181 Cb 0.53 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.90 1b96 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b96 n GLY 182 N 1.36 -1.21 3.42 0.00 0.00 0.27 -4.54 105.19 104.49 1b96 n GLY 182 Ca 0.14 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 1b96 n GLY 182 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b96 s SER 183 N -4.21 -0.49 0.00 1.61 1.04 -1.17 -4.88 113.70 105.60 1b96 s SER 183 Ca 0.01 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1b96 s SER 183 Cb 0.14 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1b96 s SER 183 CO 0.82 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1b96 n GLY 184 N 0.86 -0.03 0.27 7.32 0.00 -1.26 -3.40 105.19 108.95 1b96 n GLY 184 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1b96 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1b96 h ASN 185 N 0.00 0.00 -0.59 1.61 7.08 -2.00 -2.54 115.58 119.14 1b96 h ASN 185 Ca 0.00 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.96 1b96 h ASN 185 Cb 0.00 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 36.08 1b96 h ASN 185 CO 0.00 0.10 0.20 0.35 -2.08 0.00 0.00 177.43 176.00 1b96 n THR 186 N -3.78 2.78 -2.36 6.14 -2.24 -1.26 -5.01 114.28 108.54 1b96 n THR 186 Ca -0.02 -2.21 -0.05 0.00 -2.27 0.00 0.00 64.05 59.50 1b96 n THR 186 Cb 0.20 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1b96 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b96 n THR 187 N -0.89 -0.59 -4.48 4.28 -2.24 -0.96 -4.77 114.28 104.64 1b96 n THR 187 Ca 0.41 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.85 1b96 n THR 187 Cb 1.27 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 1b96 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1b96 s ASN 188 N -1.63 4.89 0.53 3.42 0.02 -1.22 -0.71 114.94 120.23 1b96 s ASN 188 Ca 0.02 0.00 -0.23 0.00 -1.02 0.00 0.00 52.86 51.64 1b96 s ASN 188 Cb -0.00 -1.44 -0.06 0.00 0.02 0.00 0.00 41.25 39.77 1b96 s ASN 188 CO 0.16 0.31 1.39 -0.38 0.02 0.00 0.00 177.10 178.59 1b96 n ILE 189 N 2.57 3.61 -4.16 0.60 5.41 0.68 0.98 119.36 129.05 1b96 n ILE 189 Ca -0.18 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.75 1b96 n ILE 189 Cb 0.53 -1.72 -0.08 0.00 -0.71 0.00 0.00 39.64 37.66 1b96 n ILE 189 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1b96 s GLY 190 N -0.80 1.95 0.96 7.39 0.00 -1.10 -0.97 107.32 114.76 1b96 s GLY 190 Ca 0.69 -0.97 -0.15 0.00 0.00 0.00 0.00 44.72 44.30 1b96 s GLY 190 CO 0.51 -0.88 1.31 -1.35 0.00 0.00 0.00 173.10 172.69 1b96 s SER 191 N -1.91 3.01 1.06 1.64 1.04 -0.71 0.23 113.70 118.07 1b96 s SER 191 Ca 0.24 0.08 -0.12 0.00 0.48 0.00 0.00 55.95 56.63 1b96 s SER 191 Cb -0.12 -0.08 0.23 0.00 0.10 0.00 0.00 66.02 66.15 1b96 s SER 191 CO 0.15 -2.78 1.07 0.27 0.98 0.00 0.00 173.24 172.93 1b96 s ILE 192 N -3.86 2.11 -0.56 -1.02 -4.36 0.17 -3.86 121.20 109.83 1b96 s ILE 192 Ca 0.75 0.04 -0.06 0.00 -0.26 0.00 0.00 60.65 61.12 1b96 s ILE 192 Cb -0.03 -2.15 0.14 0.00 1.25 0.00 0.00 42.46 41.68 1b96 s ILE 192 CO 0.53 -0.05 0.40 -2.28 0.24 0.00 0.00 174.94 173.78 1b96 s HIS 193 N -2.58 3.49 0.36 1.37 5.65 -1.26 -4.52 115.29 117.80 1b96 s HIS 193 Ca 0.67 -2.33 -0.05 0.00 0.25 0.00 0.00 55.06 53.61 1b96 s HIS 193 Cb -0.23 -3.36 0.02 0.00 -1.18 0.00 0.00 32.58 27.82 1b96 s HIS 193 CO 0.62 -0.93 0.55 0.00 -0.65 0.00 0.00 174.74 174.32 1b96 s ALA 194 N 0.63 0.52 0.59 1.58 0.00 -0.88 -4.88 121.76 119.32 1b96 s ALA 194 Ca 0.12 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.52 1b96 s ALA 194 Cb -0.21 1.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 1b96 s ALA 194 CO -0.03 -0.83 1.08 -1.01 0.00 0.00 0.00 175.76 174.96 1b96 s HIS 195 N -2.81 2.86 0.31 0.00 3.76 -1.26 -0.36 115.29 117.80 1b96 s HIS 195 Ca 0.28 1.53 0.07 0.00 -0.15 0.00 0.00 55.06 56.79 1b96 s HIS 195 Cb -0.02 -3.09 0.88 0.00 1.11 0.00 0.00 32.58 31.47 1b96 s HIS 195 CO 0.19 -1.28 1.65 -0.92 -0.85 0.00 0.00 174.74 173.53 1b96 h TYR 196 N 0.56 0.57 -0.41 1.40 3.20 -1.95 -1.54 116.97 118.80 1b96 h TYR 196 Ca -0.48 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.41 1b96 h TYR 196 Cb 1.23 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 1b96 h TYR 196 CO 0.56 -0.22 0.14 1.57 -1.64 0.00 0.00 178.16 178.57 1b96 h LYS 197 N 0.24 0.59 -0.63 1.82 2.10 -1.99 -2.25 116.57 116.45 1b96 h LYS 197 Ca 0.63 -0.09 -0.02 0.00 -2.00 0.00 0.00 60.65 59.18 1b96 h LYS 197 Cb 1.37 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 1b96 h LYS 197 CO -0.65 0.51 0.32 -0.44 -2.00 0.00 0.00 179.45 177.19 1b96 h ASP 198 N 0.58 0.78 0.05 7.07 5.19 -1.65 1.05 116.42 129.48 1b96 h ASP 198 Ca 0.14 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1b96 h ASP 198 Cb 0.17 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1b96 h ASP 198 CO -0.01 0.64 -0.02 -0.26 -3.12 0.00 0.00 179.24 176.47 1b96 h PHE 199 N 0.87 -0.06 0.29 4.55 -1.00 -1.44 0.55 116.94 120.70 1b96 h PHE 199 Ca 0.22 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.99 1b96 h PHE 199 Cb 0.05 0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 1b96 h PHE 199 CO 0.01 0.19 -0.16 0.28 -1.61 0.00 0.00 178.31 177.01 1b96 h VAL 200 N -0.30 0.66 0.00 -0.55 2.07 -0.87 -2.44 116.25 114.82 1b96 h VAL 200 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1b96 h VAL 200 Cb 0.27 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1b96 h VAL 200 CO 0.01 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.98 1b96 n GLU 201 N -5.29 0.02 -3.36 1.57 1.02 0.36 -4.88 120.64 110.08 1b96 n GLU 201 Ca -0.10 0.27 -0.18 0.00 -0.02 0.00 0.00 57.16 57.14 1b96 n GLU 201 Cb 0.20 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1b96 n GLU 201 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b96 n GLY 202 N -0.23 -0.30 3.43 0.62 0.00 0.18 -4.92 105.19 103.96 1b96 n GLY 202 Ca 0.03 0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1b96 n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b96 n LYS 203 N -4.10 3.38 -0.95 1.61 5.02 -0.29 -4.92 118.16 117.91 1b96 n LYS 203 Ca -0.10 -3.82 -0.06 0.00 -2.02 0.00 0.00 58.31 52.31 1b96 n LYS 203 Cb 0.59 -3.04 0.04 0.00 -0.02 0.00 0.00 35.03 32.59 1b96 n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b96 n GLY 204 N 4.03 0.25 0.00 0.72 0.00 -1.16 -4.91 105.19 104.13 1b96 n GLY 204 Ca 0.37 -1.90 0.05 0.00 0.00 0.00 0.00 46.02 44.54 1b96 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b96 n ILE 205 N -1.93 0.00 -3.00 -0.61 -5.35 -1.26 -5.00 119.36 102.22 1b96 n ILE 205 Ca 0.04 -0.25 -0.34 0.00 -0.27 0.00 0.00 62.75 61.93 1b96 n ILE 205 Cb 0.15 0.56 -0.06 0.00 -1.74 0.00 0.00 39.64 38.54 1b96 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1b96 s PHE 206 N -2.43 3.47 -0.24 4.28 0.08 -1.26 -4.98 117.98 116.89 1b96 s PHE 206 Ca -0.01 1.44 0.23 0.00 0.12 0.00 0.00 56.93 58.71 1b96 s PHE 206 Cb 0.07 -2.69 -0.02 0.00 -0.57 0.00 0.00 43.02 39.81 1b96 s PHE 206 CO 0.44 0.11 0.99 -0.25 -0.10 0.00 0.00 175.22 176.41 1b96 n ASP 207 N -0.05 0.73 -3.58 1.36 8.00 -1.26 -4.96 116.55 116.79 1b96 n ASP 207 Ca 0.03 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.69 1b96 n ASP 207 Cb 0.52 0.63 -0.02 0.00 -0.02 0.00 0.00 41.12 42.24 1b96 n ASP 207 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1b96 s SER 208 N -5.15 -0.45 0.31 -2.24 1.04 -1.26 -5.01 113.70 100.95 1b96 s SER 208 Ca -0.01 -0.22 0.14 0.00 0.48 0.00 0.00 55.95 56.35 1b96 s SER 208 Cb 0.10 0.63 0.47 0.00 0.10 0.00 0.00 66.02 67.33 1b96 s SER 208 CO 0.80 -1.08 1.65 -0.08 0.98 0.00 0.00 173.24 175.51 1b96 h GLU 209 N 2.00 0.00 -0.65 4.02 4.81 -1.93 -1.46 114.58 121.37 1b96 h GLU 209 Ca -0.28 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1b96 h GLU 209 Cb 1.28 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 1b96 h GLU 209 CO 0.32 0.52 0.33 0.22 -0.73 0.00 0.00 179.01 179.67 1b96 h ASP 210 N 0.00 0.84 -0.12 1.04 3.58 -1.99 -1.26 116.42 118.51 1b96 h ASP 210 Ca -0.01 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.18 1b96 h ASP 210 Cb 1.04 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1b96 h ASP 210 CO 0.07 0.72 -0.44 -0.08 -2.88 0.00 0.00 179.24 176.63 1b96 h GLU 211 N 0.90 0.67 0.11 0.28 4.81 -1.86 -1.76 114.58 117.72 1b96 h GLU 211 Ca 0.23 -0.36 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1b96 h GLU 211 Cb 0.09 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1b96 h GLU 211 CO -0.03 0.97 -0.14 0.35 -0.73 0.00 0.00 179.01 179.44 1b96 h PHE 212 N 0.54 -0.36 -0.50 0.92 3.57 -0.95 -2.22 116.94 117.94 1b96 h PHE 212 Ca 0.04 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1b96 h PHE 212 Cb 0.98 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 1b96 h PHE 212 CO 0.05 -0.21 0.18 -0.07 -2.23 0.00 0.00 178.31 176.03 1b96 h LEU 213 N -0.29 0.70 -0.62 0.59 3.38 -1.20 -2.42 115.31 115.45 1b96 h LEU 213 Ca 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1b96 h LEU 213 Cb 0.29 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1b96 h LEU 213 CO -0.06 0.69 0.34 -0.78 0.09 0.00 0.00 178.44 178.73 1b96 h ASP 214 N 0.66 0.78 0.49 -0.43 3.58 -1.29 -0.61 116.42 119.59 1b96 h ASP 214 Ca 0.16 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1b96 h ASP 214 Cb 0.23 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1b96 h ASP 214 CO -0.01 0.65 -0.30 0.22 -2.88 0.00 0.00 179.24 176.92 1b96 h TYR 215 N 0.85 -0.79 0.00 0.28 5.03 -1.30 -2.54 116.97 118.50 1b96 h TYR 215 Ca 0.22 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 1b96 h TYR 215 Cb 0.04 0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.60 1b96 h TYR 215 CO -0.01 -0.46 -0.11 -1.49 -1.32 0.00 0.00 178.16 174.77 1b96 h TRP 216 N -0.75 0.00 0.00 -3.82 4.06 -1.39 -1.46 115.95 112.59 1b96 h TRP 216 Ca -0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1b96 h TRP 216 Cb 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.78 1b96 h TRP 216 CO -0.10 0.11 0.00 0.00 -3.56 0.00 0.00 178.44 174.89 1b96 h ARG 217 N 0.00 0.00 -0.00 0.49 3.08 -0.94 -3.28 114.38 113.74 1b96 h ARG 217 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b96 h ARG 217 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1b96 h ARG 217 CO 0.01 0.00 -0.03 0.09 -1.07 0.00 0.00 179.97 178.97 1b96 n ASN 218 N -2.86 0.71 -4.71 7.04 3.02 -0.97 -5.03 115.26 112.47 1b96 n ASN 218 Ca 0.03 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.30 1b96 n ASN 218 Cb 0.42 0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.97 1b96 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b96 s TYR 219 N -0.56 2.89 0.40 3.10 6.14 -0.58 -4.99 117.35 123.75 1b96 s TYR 219 Ca 0.02 0.51 -0.13 0.00 0.64 0.00 0.00 57.07 58.11 1b96 s TYR 219 Cb 0.01 -3.97 -0.07 0.00 0.42 0.00 0.00 41.96 38.35 1b96 s TYR 219 CO 0.04 -3.66 0.80 -1.21 0.64 0.00 0.00 175.55 172.16 1b96 s GLU 220 N 1.50 3.87 0.24 4.97 0.41 -1.26 -5.01 118.70 123.42 1b96 s GLU 220 Ca 0.72 0.61 0.04 0.00 -0.41 0.00 0.00 54.97 55.93 1b96 s GLU 220 Cb -0.44 -2.36 0.27 0.00 -1.78 0.00 0.00 34.13 29.83 1b96 s GLU 220 CO 0.32 -0.02 1.58 0.00 -0.49 0.00 0.00 175.26 176.65 1b96 h ARG 221 N 1.48 0.26 -5.98 1.61 3.08 -1.97 -3.44 114.38 109.40 1b96 h ARG 221 Ca -0.47 -0.17 -0.55 0.00 0.07 0.00 0.00 59.98 58.86 1b96 h ARG 221 Cb 1.18 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.18 1b96 h ARG 221 CO 0.64 0.76 -0.50 0.95 -1.07 0.00 0.00 179.97 180.75 1b96 s THR 222 N -3.83 2.52 0.24 2.04 -4.23 -1.26 -5.03 115.64 106.09 1b96 s THR 222 Ca -0.04 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1b96 s THR 222 Cb 0.12 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 71.11 1b96 s THR 222 CO 0.80 -0.05 1.76 -1.28 -0.54 0.00 0.00 174.62 175.31 1b96 h SER 223 N 1.42 0.89 0.10 3.99 0.87 -1.99 -2.46 113.55 116.38 1b96 h SER 223 Ca -0.43 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1b96 h SER 223 Cb 1.25 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1b96 h SER 223 CO 0.67 0.89 -0.07 -0.61 -0.53 0.00 0.00 176.83 177.18 1b96 h GLN 224 N 0.90 -0.17 -0.42 2.24 4.15 -1.98 0.85 115.11 120.68 1b96 h GLN 224 Ca 0.19 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.51 1b96 h GLN 224 Cb 0.37 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1b96 h GLN 224 CO 0.01 -0.11 -0.16 -0.07 -1.93 0.00 0.00 178.83 176.56 1b96 h LEU 225 N -0.17 0.88 -1.19 -2.39 3.38 -1.95 -3.05 115.31 110.82 1b96 h LEU 225 Ca -0.00 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 1b96 h LEU 225 Cb 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1b96 h LEU 225 CO -0.00 1.07 -0.09 0.03 0.09 0.00 0.00 178.44 179.53 1b96 h ARG 226 N 0.68 0.45 0.00 1.13 3.08 -1.35 -2.67 114.38 115.70 1b96 h ARG 226 Ca 0.10 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1b96 h ARG 226 Cb 0.72 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1b96 h ARG 226 CO 0.05 0.55 0.00 -0.91 -1.07 0.00 0.00 179.97 178.60 1b96 h ASN 227 N 0.42 0.00 -0.69 7.04 4.21 -0.71 0.11 115.58 125.96 1b96 h ASN 227 Ca 0.08 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.59 1b96 h ASN 227 Cb 0.43 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 1b96 h ASN 227 CO 0.02 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.63 1b96 n ASP 228 N -2.52 3.72 0.00 5.81 8.00 -1.01 -4.80 116.55 125.74 1b96 n ASP 228 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1b96 n ASP 228 Cb 0.18 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1b96 n ASP 228 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1b96 n LYS 229 N 1.54 0.00 -3.55 -1.24 4.81 0.11 -5.09 118.16 114.74 1b96 n LYS 229 Ca 0.23 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.50 1b96 n LYS 229 Cb 0.59 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.57 1b96 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1b96 s TYR 230 N 0.00 -0.68 -0.04 5.64 -0.85 0.14 -4.74 117.35 116.82 1b96 s TYR 230 Ca 0.00 1.30 0.09 0.00 -0.52 0.00 0.00 57.07 57.94 1b96 s TYR 230 Cb 0.00 0.38 -0.14 0.00 0.38 0.00 0.00 41.96 42.58 1b96 s TYR 230 CO 0.00 -0.54 0.16 0.09 -1.52 0.00 0.00 175.55 173.73 1b96 n ASN 231 N 1.32 2.75 -2.12 -0.18 3.02 -1.26 -4.69 115.26 114.10 1b96 n ASN 231 Ca -0.18 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.29 1b96 n ASN 231 Cb 0.57 1.23 -0.02 0.00 -0.61 0.00 0.00 39.78 40.95 1b96 n ASN 231 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1b96 n ASN 232 N -2.00 -0.81 -0.31 6.41 0.23 -1.26 -4.70 115.26 112.82 1b96 n ASN 232 Ca -0.06 -2.06 -0.05 0.00 -0.53 0.00 0.00 54.58 51.88 1b96 n ASN 232 Cb 0.42 1.50 0.08 0.00 -2.08 0.00 0.00 39.78 39.69 1b96 n ASN 232 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1b96 h ILE 233 N 1.57 1.26 -0.26 1.53 6.09 -1.98 -0.34 117.51 125.38 1b96 h ILE 233 Ca -0.16 -0.73 -0.01 0.00 -1.37 0.00 0.00 64.86 62.59 1b96 h ILE 233 Cb 0.67 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.13 1b96 h ILE 233 CO 0.21 0.31 0.10 0.28 -3.07 0.00 0.00 178.15 175.99 1b96 h SER 234 N 1.21 0.36 -0.38 2.19 0.02 -1.98 0.16 113.55 115.13 1b96 h SER 234 Ca 0.29 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1b96 h SER 234 Cb 0.12 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1b96 h SER 234 CO -0.04 0.42 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.74 1b96 h GLU 235 N 0.27 0.76 -0.53 3.45 5.08 -1.89 0.41 114.58 122.13 1b96 h GLU 235 Ca 0.09 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1b96 h GLU 235 Cb 0.18 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1b96 h GLU 235 CO -0.01 0.78 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.83 1b96 h TYR 236 N 0.71 1.05 -0.21 4.33 3.20 -0.57 0.24 116.97 125.72 1b96 h TYR 236 Ca 0.14 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 1b96 h TYR 236 Cb 0.45 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1b96 h TYR 236 CO 0.02 0.97 -0.16 0.00 -1.64 0.00 0.00 178.16 177.35 1b96 h ARG 237 N 0.83 0.36 -0.13 1.82 3.08 0.16 0.43 114.38 120.93 1b96 h ARG 237 Ca 0.15 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 1b96 h ARG 237 Cb 0.57 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1b96 h ARG 237 CO 0.03 0.52 -0.54 -0.97 -1.07 0.00 0.00 179.97 177.95 1b96 h ASN 238 N 0.33 0.43 0.11 7.04 -0.73 0.11 -2.55 115.58 120.33 1b96 h ASN 238 Ca 0.06 -0.22 -0.11 0.00 1.87 0.00 0.00 56.30 57.90 1b96 h ASN 238 Cb 0.49 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 1b96 h ASN 238 CO 0.03 0.89 -0.36 -0.25 -0.37 0.00 0.00 177.43 177.37 1b96 h TRP 239 N 0.30 0.40 -0.30 0.67 7.01 0.47 -1.92 115.95 122.58 1b96 h TRP 239 Ca 0.01 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 60.85 1b96 h TRP 239 Cb 1.04 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 1b96 h TRP 239 CO 0.03 0.67 -0.02 0.82 -2.79 0.00 0.00 178.44 177.15 1b96 h ILE 240 N 0.30 1.26 -0.67 2.65 1.08 -0.80 -1.22 117.51 120.11 1b96 h ILE 240 Ca 0.03 -0.99 0.04 0.00 -0.39 0.00 0.00 64.86 63.55 1b96 h ILE 240 Cb 0.77 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.79 1b96 h ILE 240 CO 0.06 0.32 0.44 0.22 -0.69 0.00 0.00 178.15 178.50 1b96 h TYR 241 N 0.33 0.77 0.00 1.37 3.20 -1.09 -2.03 116.97 119.53 1b96 h TYR 241 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1b96 h TYR 241 Cb 0.47 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1b96 h TYR 241 CO 0.04 0.45 0.00 0.54 -1.64 0.00 0.00 178.16 177.55 1b96 n ARG 242 N -4.46 0.14 0.00 1.82 1.74 -0.76 -4.82 116.66 110.33 1b96 n ARG 242 Ca 0.08 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1b96 n ARG 242 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1b96 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b96 n GLY 243 N 0.51 1.70 3.47 -0.13 0.00 -0.77 -4.37 105.19 105.62 1b96 n GLY 243 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1b96 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b96 n ARG 244 N -1.04 -6.76 0.00 1.61 1.74 -0.48 -5.04 116.66 106.70 1b96 n ARG 244 Ca 0.00 0.83 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 1b96 n ARG 244 Cb 0.00 -5.84 0.00 0.00 -1.02 0.00 0.00 32.46 25.60 1b96 n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47