#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b95 h LEU 3 N 0.00 -0.17 -0.26 1.04 5.85 -1.98 0.21 115.31 119.99 1b95 h LEU 3 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1b95 h LEU 3 Cb 0.00 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1b95 h LEU 3 CO 0.00 -0.06 0.17 -0.09 -0.34 0.00 0.00 178.44 178.12 1b95 h ARG 4 N 0.02 0.35 -0.23 1.25 2.43 -2.00 0.14 114.38 116.33 1b95 h ARG 4 Ca 0.10 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 1b95 h ARG 4 Cb 0.15 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1b95 h ARG 4 CO -0.21 0.24 -0.44 0.66 -1.51 0.00 0.00 179.97 178.71 1b95 h SER 5 N 0.35 0.63 -0.34 -3.80 4.64 -1.92 -1.22 113.55 111.87 1b95 h SER 5 Ca 0.09 -0.29 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 1b95 h SER 5 Cb -0.02 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1b95 h SER 5 CO -0.02 0.98 -0.28 0.44 -0.87 0.00 0.00 176.83 177.08 1b95 h ASP 6 N 0.47 0.89 -0.34 4.97 3.32 -0.23 -1.61 116.42 123.90 1b95 h ASP 6 Ca 0.03 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 1b95 h ASP 6 Cb 0.96 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1b95 h ASP 6 CO 0.09 1.11 0.03 0.25 -1.72 0.00 0.00 179.24 179.00 1b95 h LEU 7 N 0.73 0.56 -0.20 1.55 5.85 -0.64 -1.64 115.31 121.52 1b95 h LEU 7 Ca 0.09 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1b95 h LEU 7 Cb 0.83 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1b95 h LEU 7 CO 0.07 0.70 0.04 0.40 -0.34 0.00 0.00 178.44 179.31 1b95 h ILE 8 N 0.39 0.91 -0.27 4.05 2.04 -1.14 -1.04 117.51 122.45 1b95 h ILE 8 Ca 0.10 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1b95 h ILE 8 Cb 0.40 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1b95 h ILE 8 CO 0.01 0.02 0.17 0.78 0.00 0.00 0.00 178.15 179.13 1b95 h ASN 9 N 0.12 0.32 -0.76 1.72 2.35 -1.23 -2.23 115.58 115.87 1b95 h ASN 9 Ca 0.09 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1b95 h ASN 9 Cb 0.08 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1b95 h ASN 9 CO -0.12 0.26 0.43 0.00 -1.65 0.00 0.00 177.43 176.35 1b95 h ALA 10 N 1.07 0.97 -0.36 -0.83 0.00 -1.10 -1.93 119.26 117.08 1b95 h ALA 10 Ca 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b95 h ALA 10 Cb -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1b95 h ALA 10 CO -0.02 0.47 0.21 -0.07 0.00 0.00 0.00 179.25 179.84 1b95 h LEU 11 N 1.04 0.45 -0.69 0.00 3.38 -1.08 0.21 115.31 118.61 1b95 h LEU 11 Ca 0.27 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1b95 h LEU 11 Cb 0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1b95 h LEU 11 CO -0.05 0.39 0.24 1.88 0.09 0.00 0.00 178.44 180.99 1b95 h TYR 12 N 0.47 1.10 -0.25 1.13 0.05 -1.22 -1.86 116.97 116.38 1b95 h TYR 12 Ca 0.13 -0.10 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 1b95 h TYR 12 Cb 0.03 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 1b95 h TYR 12 CO -0.03 0.87 -0.38 0.22 -1.05 0.00 0.00 178.16 177.79 1b95 h ASP 13 N 1.01 0.76 -0.58 3.88 3.58 -1.01 -0.83 116.42 123.24 1b95 h ASP 13 Ca 0.23 -0.52 -0.09 0.00 0.42 0.00 0.00 57.03 57.07 1b95 h ASP 13 Cb 0.27 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1b95 h ASP 13 CO -0.01 1.13 0.03 -0.08 -2.88 0.00 0.00 179.24 177.44 1b95 h GLU 14 N 0.42 1.02 -0.34 0.28 4.57 -0.57 -1.55 114.58 118.40 1b95 h GLU 14 Ca 0.02 -0.30 -0.08 0.00 -1.18 0.00 0.00 59.36 57.83 1b95 h GLU 14 Cb 0.97 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.44 1b95 h GLU 14 CO 0.09 0.98 -0.11 -0.97 -1.18 0.00 0.00 179.01 177.81 1b95 h ASN 15 N 0.94 0.57 0.06 1.04 -1.24 -1.32 -1.22 115.58 114.42 1b95 h ASN 15 Ca 0.18 -0.15 -0.13 0.00 0.71 0.00 0.00 56.30 56.90 1b95 h ASN 15 Cb 0.50 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 1b95 h ASN 15 CO 0.02 0.72 -0.43 -0.61 -1.29 0.00 0.00 177.43 175.85 1b95 h GLN 16 N 0.54 0.46 0.00 6.67 4.15 -0.73 -3.36 115.11 122.84 1b95 h GLN 16 Ca 0.10 -0.24 -0.10 0.00 0.77 0.00 0.00 58.65 59.18 1b95 h GLN 16 Cb 0.52 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1b95 h GLN 16 CO 0.03 0.80 -0.58 -0.22 -1.93 0.00 0.00 178.83 176.93 1b95 h LYS 17 N 0.37 0.00 -6.20 1.69 3.64 -0.91 -3.49 116.57 111.68 1b95 h LYS 17 Ca 0.03 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.89 1b95 h LYS 17 Cb 0.91 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 1b95 h LYS 17 CO 0.08 0.95 -0.56 0.71 -2.27 0.00 0.00 179.45 178.35 1b95 s TYR 18 N -2.27 2.98 -0.09 1.91 2.02 -0.49 -5.11 117.35 116.30 1b95 s TYR 18 Ca -0.23 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1b95 s TYR 18 Cb 0.01 -1.35 0.04 0.00 -0.40 0.00 0.00 41.96 40.26 1b95 s TYR 18 CO 0.61 0.54 0.07 -0.51 -1.57 0.00 0.00 175.55 174.69 1b95 s ASP 19 N -3.80 1.65 0.36 2.29 1.01 -1.26 -4.76 116.67 112.17 1b95 s ASP 19 Ca 0.33 -0.21 -0.27 0.00 0.71 0.00 0.00 52.55 53.11 1b95 s ASP 19 Cb -0.07 -0.20 -0.09 0.00 1.01 0.00 0.00 42.92 43.57 1b95 s ASP 19 CO 0.23 -0.29 1.19 -0.69 0.21 0.00 0.00 175.17 175.83 1b95 s VAL 20 N 2.14 3.09 0.00 -1.27 1.01 -1.26 -4.96 120.40 119.16 1b95 s VAL 20 Ca 0.04 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1b95 s VAL 20 Cb -0.14 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1b95 s VAL 20 CO -0.05 0.15 0.07 0.00 0.00 0.00 0.00 175.10 175.27 1b95 n GLY 22 N 0.02 -0.32 3.78 0.00 0.00 -1.26 -3.74 105.19 103.66 1b95 n GLY 22 Ca 0.00 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 1b95 n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b95 s ILE 23 N -2.00 5.02 -0.09 -0.61 -4.36 -0.22 -4.92 121.20 114.01 1b95 s ILE 23 Ca 0.00 0.03 0.02 0.00 -0.26 0.00 0.00 60.65 60.44 1b95 s ILE 23 Cb 0.00 -3.18 -0.02 0.00 1.25 0.00 0.00 42.46 40.51 1b95 s ILE 23 CO 0.00 0.59 -0.16 -0.51 0.24 0.00 0.00 174.94 175.09 1b95 s ILE 24 N -0.74 2.80 0.66 8.37 2.07 -1.26 -1.12 121.20 131.98 1b95 s ILE 24 Ca 0.13 -0.78 -0.05 0.00 -1.41 0.00 0.00 60.65 58.54 1b95 s ILE 24 Cb -0.12 -2.13 0.05 0.00 0.13 0.00 0.00 42.46 40.40 1b95 s ILE 24 CO 0.03 0.55 0.95 -0.94 -1.91 0.00 0.00 174.94 173.62 1b95 s SER 25 N -0.03 5.00 0.46 4.50 1.04 0.02 -4.96 113.70 119.74 1b95 s SER 25 Ca -0.04 0.37 0.31 0.00 0.48 0.00 0.00 55.95 57.07 1b95 s SER 25 Cb -0.14 -1.11 1.46 0.00 0.10 0.00 0.00 66.02 66.32 1b95 s SER 25 CO 0.04 -1.44 1.94 0.00 0.98 0.00 0.00 173.24 174.77 1b95 h ALA 26 N -0.40 1.00 -0.00 5.32 0.00 -2.00 -1.22 119.26 121.95 1b95 h ALA 26 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1b95 h ALA 26 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1b95 h ALA 26 CO 0.58 0.00 -0.21 0.39 0.00 0.00 0.00 179.25 180.02 1b95 n GLU 27 N -2.72 0.56 -0.52 0.00 4.71 -1.26 -4.92 120.64 116.48 1b95 n GLU 27 Ca -0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 57.16 56.89 1b95 n GLU 27 Cb 0.19 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 1b95 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b95 n GLY 28 N 1.35 0.72 3.73 0.62 0.00 -0.46 -5.05 105.19 106.10 1b95 n GLY 28 Ca 0.12 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1b95 n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b95 s LYS 29 N -0.62 4.36 -0.16 1.61 2.20 -1.26 -3.85 119.74 122.03 1b95 s LYS 29 Ca 0.00 0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 56.20 1b95 s LYS 29 Cb 0.00 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1b95 s LYS 29 CO 0.00 0.16 -0.05 0.42 -0.36 0.00 0.00 175.35 175.52 1b95 s ILE 30 N 0.57 3.76 -0.19 5.43 1.01 0.16 -0.80 121.20 131.15 1b95 s ILE 30 Ca 0.30 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1b95 s ILE 30 Cb -0.16 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1b95 s ILE 30 CO 0.14 0.49 -0.05 -0.31 0.00 0.00 0.00 174.94 175.21 1b95 s TYR 31 N 0.42 2.95 0.88 3.97 1.51 -0.27 0.10 117.35 126.91 1b95 s TYR 31 Ca -0.05 -0.70 -0.10 0.00 -1.01 0.00 0.00 57.07 55.21 1b95 s TYR 31 Cb -0.14 -2.03 0.13 0.00 -0.11 0.00 0.00 41.96 39.80 1b95 s TYR 31 CO 0.03 -0.35 1.13 -1.25 -1.11 0.00 0.00 175.55 174.00 1b95 s PRO 32 N 1.00 1.30 -0.05 -1.71 0.04 -1.26 -1.06 135.00 133.26 1b95 s PRO 32 Ca 0.00 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.34 1b95 s PRO 32 Cb -0.15 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1b95 s PRO 32 CO 0.00 -2.39 0.32 -0.51 0.04 0.00 0.00 177.00 174.46 1b95 s LEU 33 N -6.44 4.43 1.15 -3.56 1.43 -1.25 -4.78 118.68 109.67 1b95 s LEU 33 Ca 0.65 0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 54.37 1b95 s LEU 33 Cb -0.21 -2.41 0.26 0.00 0.03 0.00 0.00 46.19 43.85 1b95 s LEU 33 CO 0.58 0.33 1.07 -0.83 0.23 0.00 0.00 176.35 177.73 1b95 s GLY 34 N -0.95 1.55 0.00 -3.19 0.00 -1.26 -4.68 107.32 98.79 1b95 s GLY 34 Ca 0.21 -0.61 0.22 0.00 0.00 0.00 0.00 44.72 44.54 1b95 s GLY 34 CO 0.10 0.17 1.07 -1.14 0.00 0.00 0.00 173.10 173.29 1b95 n SER 35 N -4.67 1.98 -4.91 1.64 3.41 -1.26 -4.78 113.62 105.04 1b95 n SER 35 Ca 0.08 -1.49 -0.23 0.00 -0.26 0.00 0.00 58.87 56.97 1b95 n SER 35 Cb 0.58 0.50 0.06 0.00 -0.26 0.00 0.00 64.21 65.09 1b95 n SER 35 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1b95 s ASP 36 N -2.47 4.97 0.33 4.04 -4.77 -1.26 -4.88 116.67 112.64 1b95 s ASP 36 Ca 0.18 0.09 0.08 0.00 -3.30 0.00 0.00 52.55 49.60 1b95 s ASP 36 Cb 0.18 -0.82 0.58 0.00 -1.09 0.00 0.00 42.92 41.77 1b95 s ASP 36 CO 0.57 -1.41 1.78 0.74 0.70 0.00 0.00 175.17 177.56 1b95 h THR 37 N -0.25 1.27 -0.56 2.11 2.02 -1.97 -1.18 112.91 114.36 1b95 h THR 37 Ca -0.42 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 65.55 1b95 h THR 37 Cb 1.30 1.55 -0.06 0.00 -1.74 0.00 0.00 68.15 69.20 1b95 h THR 37 CO 0.53 0.38 0.22 0.50 0.37 0.00 0.00 175.52 177.53 1b95 h LYS 38 N 0.18 0.41 0.05 6.66 1.63 -1.99 0.41 116.57 123.92 1b95 h LYS 38 Ca 0.02 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1b95 h LYS 38 Cb 0.67 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1b95 h LYS 38 CO 0.05 0.27 -0.02 0.28 -3.45 0.00 0.00 179.45 176.58 1b95 h VAL 39 N 0.42 1.30 -0.14 2.00 2.07 -1.85 -3.31 116.25 116.73 1b95 h VAL 39 Ca 0.27 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 1b95 h VAL 39 Cb 0.28 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1b95 h VAL 39 CO -0.25 0.33 -0.31 -0.07 0.02 0.00 0.00 177.57 177.28 1b95 h LEU 40 N -0.68 0.28 -0.32 2.57 3.38 -0.84 -2.27 115.31 117.42 1b95 h LEU 40 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1b95 h LEU 40 Cb 0.59 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1b95 h LEU 40 CO 0.01 0.59 0.16 0.77 0.09 0.00 0.00 178.44 180.06 1b95 h SER 41 N 0.24 0.42 -0.43 -0.43 4.64 -0.35 0.13 113.55 117.77 1b95 h SER 41 Ca 0.03 -0.12 0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1b95 h SER 41 Cb 0.68 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 62.58 1b95 h SER 41 CO 0.05 0.42 -0.05 0.74 -0.87 0.00 0.00 176.83 177.12 1b95 h THR 42 N 0.39 0.62 -0.35 2.95 2.02 -1.60 -0.87 112.91 116.07 1b95 h THR 42 Ca 0.11 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1b95 h THR 42 Cb 0.10 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1b95 h THR 42 CO -0.02 0.01 0.12 0.40 0.37 0.00 0.00 175.52 176.40 1b95 h ILE 43 N 0.06 1.20 -0.36 3.11 1.08 -0.84 -2.05 117.51 119.71 1b95 h ILE 43 Ca 0.21 -0.66 -0.05 0.00 -0.39 0.00 0.00 64.86 63.97 1b95 h ILE 43 Cb 0.32 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1b95 h ILE 43 CO -0.40 0.23 -0.00 -0.26 -0.69 0.00 0.00 178.15 177.03 1b95 h PHE 44 N 0.42 0.60 0.41 1.37 0.04 -0.48 0.05 116.94 119.35 1b95 h PHE 44 Ca 0.11 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1b95 h PHE 44 Cb 0.24 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1b95 h PHE 44 CO 0.01 0.58 -0.20 0.93 -0.60 0.00 0.00 178.31 179.03 1b95 h GLU 45 N 0.55 -0.53 -0.49 1.51 4.39 -0.98 -2.30 114.58 116.71 1b95 h GLU 45 Ca 0.12 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.80 1b95 h GLU 45 Cb 0.36 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1b95 h GLU 45 CO 0.01 -0.34 0.10 -0.07 -1.16 0.00 0.00 179.01 177.55 1b95 h LEU 46 N -0.58 0.71 -0.50 1.33 3.38 -1.08 -2.75 115.31 115.83 1b95 h LEU 46 Ca -0.06 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1b95 h LEU 46 Cb 0.44 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1b95 h LEU 46 CO 0.09 0.71 0.32 0.15 0.09 0.00 0.00 178.44 179.80 1b95 h PHE 47 N 0.73 0.64 0.00 1.13 3.57 -0.86 -3.01 116.94 119.14 1b95 h PHE 47 Ca 0.16 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1b95 h PHE 47 Cb 0.30 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1b95 h PHE 47 CO 0.02 0.42 -0.17 0.77 -2.23 0.00 0.00 178.31 177.11 1b95 h SER 48 N 0.67 0.00 -0.16 0.41 0.02 -1.13 -3.36 113.55 110.00 1b95 h SER 48 Ca 0.18 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1b95 h SER 48 Cb -0.05 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.43 1b95 h SER 48 CO -0.04 0.17 -0.55 0.03 -1.14 0.00 0.00 176.83 175.31 1b95 h ARG 49 N 0.00 -0.55 -0.78 3.45 3.08 -1.36 -1.33 114.38 116.89 1b95 h ARG 49 Ca -0.00 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1b95 h ARG 49 Cb 0.69 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.80 1b95 h ARG 49 CO 0.02 -0.37 0.46 -1.35 -1.07 0.00 0.00 179.97 177.67 1b95 h PRO 50 N -0.57 0.81 0.56 0.04 0.11 -1.77 -1.59 132.00 129.59 1b95 h PRO 50 Ca 0.04 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1b95 h PRO 50 Cb 0.68 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1b95 h PRO 50 CO -0.45 0.54 -0.32 0.82 -0.21 0.00 0.00 178.00 178.38 1b95 h ILE 51 N 0.83 0.35 -0.33 4.15 2.04 -1.63 0.99 117.51 123.91 1b95 h ILE 51 Ca 0.35 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.27 1b95 h ILE 51 Cb 0.20 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 1b95 h ILE 51 CO -0.18 0.00 -0.09 0.40 0.00 0.00 0.00 178.15 178.27 1b95 h ILE 52 N -0.82 0.64 -0.57 -0.67 2.04 -1.20 -0.58 117.51 116.35 1b95 h ILE 52 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1b95 h ILE 52 Cb 0.66 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1b95 h ILE 52 CO 0.09 0.00 0.31 -1.13 0.00 0.00 0.00 178.15 177.42 1b95 h ASN 53 N -0.02 0.47 0.46 1.72 -1.24 -1.15 0.24 115.58 116.07 1b95 h ASN 53 Ca 0.16 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.17 1b95 h ASN 53 Cb 0.26 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.25 1b95 h ASN 53 CO -0.35 0.32 -0.22 0.50 -1.29 0.00 0.00 177.43 176.38 1b95 h LYS 54 N 0.60 -0.60 -0.60 6.67 3.64 0.06 -2.14 116.57 124.21 1b95 h LYS 54 Ca 0.25 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1b95 h LYS 54 Cb 0.13 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1b95 h LYS 54 CO -0.15 -0.37 0.33 0.82 -2.27 0.00 0.00 179.45 177.81 1b95 h ILE 55 N -0.68 1.19 -0.60 2.00 1.08 -1.04 -2.64 117.51 116.83 1b95 h ILE 55 Ca -0.06 -0.49 0.03 0.00 -0.39 0.00 0.00 64.86 63.95 1b95 h ILE 55 Cb 0.50 0.43 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 1b95 h ILE 55 CO 0.10 0.21 0.37 0.00 -0.69 0.00 0.00 178.15 178.14 1b95 h ALA 56 N 1.15 0.78 -0.88 1.87 0.00 -0.92 -2.60 119.26 118.66 1b95 h ALA 56 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1b95 h ALA 56 Cb 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1b95 h ALA 56 CO -0.03 0.11 0.53 0.93 0.00 0.00 0.00 179.25 180.78 1b95 h GLU 57 N 0.73 1.19 0.00 0.00 5.08 -1.14 0.05 114.58 120.49 1b95 h GLU 57 Ca 0.24 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1b95 h GLU 57 Cb 0.02 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1b95 h GLU 57 CO -0.10 0.84 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.46 1b95 h LYS 58 N 1.21 0.00 -0.10 2.33 3.64 -1.12 -1.32 116.57 121.20 1b95 h LYS 58 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1b95 h LYS 58 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1b95 h LYS 58 CO -0.06 0.07 0.00 0.72 -2.27 0.00 0.00 179.45 177.91 1b95 n HIS 59 N -4.44 0.11 -0.92 1.91 8.25 -0.82 -4.96 115.22 114.35 1b95 n HIS 59 Ca -0.03 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1b95 n HIS 59 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1b95 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b95 n GLY 60 N 1.28 0.45 3.81 -1.41 0.00 -0.50 -5.04 105.19 103.78 1b95 n GLY 60 Ca 0.17 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 1b95 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b95 s TYR 61 N -2.00 3.61 0.25 1.61 1.51 -0.09 -4.57 117.35 117.67 1b95 s TYR 61 Ca 0.00 0.74 -0.29 0.00 -1.01 0.00 0.00 57.07 56.52 1b95 s TYR 61 Cb 0.00 -2.22 -0.09 0.00 -0.11 0.00 0.00 41.96 39.54 1b95 s TYR 61 CO 0.00 0.53 0.92 0.42 -1.11 0.00 0.00 175.55 176.31 1b95 s ILE 62 N -0.54 4.13 -0.18 2.71 1.01 0.14 -3.94 121.20 124.54 1b95 s ILE 62 Ca 0.19 1.99 -0.04 0.00 0.00 0.00 0.00 60.65 62.79 1b95 s ILE 62 Cb -0.14 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 1b95 s ILE 62 CO 0.08 0.42 -0.04 -0.69 0.00 0.00 0.00 174.94 174.72 1b95 s VAL 63 N -1.27 3.74 -0.06 2.92 1.01 -1.26 -1.20 120.40 124.28 1b95 s VAL 63 Ca 0.42 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1b95 s VAL 63 Cb -0.24 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1b95 s VAL 63 CO 0.30 0.46 -0.12 -1.61 0.00 0.00 0.00 175.10 174.13 1b95 s GLU 64 N 0.74 1.63 0.30 2.72 2.02 0.53 -4.94 118.70 121.69 1b95 s GLU 64 Ca -0.02 -0.39 0.03 0.00 0.02 0.00 0.00 54.97 54.62 1b95 s GLU 64 Cb -0.14 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.70 1b95 s GLU 64 CO 0.02 0.02 0.46 -1.21 0.02 0.00 0.00 175.26 174.56 1b95 s GLU 65 N 0.69 3.44 0.42 1.61 2.02 -1.26 -0.34 118.70 125.28 1b95 s GLU 65 Ca -0.14 -0.57 -0.26 0.00 0.02 0.00 0.00 54.97 54.01 1b95 s GLU 65 Cb -0.16 -2.78 -0.09 0.00 0.10 0.00 0.00 34.13 31.20 1b95 s GLU 65 CO 0.03 0.27 1.46 -2.30 0.02 0.00 0.00 175.26 174.75 1b95 n PRO 66 N -1.60 2.44 0.03 0.39 -0.02 -1.26 -4.91 135.00 130.07 1b95 n PRO 66 Ca -0.07 0.86 0.05 0.00 -2.02 0.00 0.00 63.50 62.33 1b95 n PRO 66 Cb 0.57 -2.66 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 1b95 n PRO 66 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1b95 n LYS 67 N 0.05 0.63 -4.51 -0.52 2.85 -1.26 -4.83 118.16 110.57 1b95 n LYS 67 Ca 0.03 0.08 -0.34 0.00 -1.05 0.00 0.00 58.31 57.04 1b95 n LYS 67 Cb 0.40 -1.73 -0.12 0.00 -0.65 0.00 0.00 35.03 32.94 1b95 n LYS 67 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1b95 s GLN 68 N -3.14 3.32 0.82 -1.58 -0.21 -1.26 -5.11 119.66 112.50 1b95 s GLN 68 Ca -0.04 -0.54 -0.11 0.00 0.02 0.00 0.00 55.36 54.70 1b95 s GLN 68 Cb 0.10 -2.78 0.09 0.00 1.00 0.00 0.00 33.01 31.42 1b95 s GLN 68 CO 0.83 0.40 1.12 -0.65 -2.12 0.00 0.00 175.29 174.87 1b95 s GLN 69 N -0.08 1.79 -1.23 2.91 -0.21 -1.26 -3.37 119.66 118.20 1b95 s GLN 69 Ca 0.01 1.36 -0.05 0.00 0.02 0.00 0.00 55.36 56.70 1b95 s GLN 69 Cb -0.13 -1.83 0.01 0.00 1.00 0.00 0.00 33.01 32.05 1b95 s GLN 69 CO 0.03 -2.02 0.69 0.27 -2.12 0.00 0.00 175.29 172.13 1b95 n ASN 70 N -3.70 -5.48 -3.88 5.90 6.94 -1.26 -5.01 115.26 108.77 1b95 n ASN 70 Ca 0.10 -0.32 -0.24 0.00 -0.02 0.00 0.00 54.58 54.11 1b95 n ASN 70 Cb 0.52 -4.23 -0.17 0.00 -2.36 0.00 0.00 39.78 33.55 1b95 n ASN 70 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1b95 s HIS 71 N -3.15 1.09 0.43 -2.53 3.76 -1.22 -4.79 115.29 108.88 1b95 s HIS 71 Ca 0.34 -0.43 -0.21 0.00 -0.15 0.00 0.00 55.06 54.60 1b95 s HIS 71 Cb -0.15 -0.96 -0.11 0.00 1.11 0.00 0.00 32.58 32.47 1b95 s HIS 71 CO 0.42 -0.36 0.96 -0.47 -0.85 0.00 0.00 174.74 174.45 1b95 s TYR 72 N 1.47 3.31 0.42 1.40 5.04 -0.62 -4.60 117.35 123.76 1b95 s TYR 72 Ca -0.01 1.62 0.07 0.00 -2.44 0.00 0.00 57.07 56.31 1b95 s TYR 72 Cb -0.13 -2.89 0.07 0.00 0.35 0.00 0.00 41.96 39.36 1b95 s TYR 72 CO -0.04 -0.17 0.56 -0.35 -1.34 0.00 0.00 175.55 174.21 1b95 n PRO 73 N -0.56 0.73 -0.10 4.97 -0.04 -1.26 -0.69 135.00 138.05 1b95 n PRO 73 Ca 0.07 -2.32 -0.08 0.00 -0.04 0.00 0.00 63.50 61.13 1b95 n PRO 73 Cb 0.53 -0.14 -0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1b95 n PRO 73 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1b95 h ASP 74 N 0.11 0.30 -3.77 3.54 3.32 -1.79 -3.39 116.42 114.74 1b95 h ASP 74 Ca -0.20 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.37 1b95 h ASP 74 Cb 0.92 -0.06 -0.31 0.00 0.22 0.00 0.00 39.33 40.10 1b95 h ASP 74 CO 0.29 0.22 -0.81 -0.36 -1.72 0.00 0.00 179.24 176.87 1b95 s PHE 75 N -6.16 1.24 -0.21 4.55 0.08 -0.73 -4.37 117.98 112.38 1b95 s PHE 75 Ca -0.13 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 1b95 s PHE 75 Cb 0.10 -0.88 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 1b95 s PHE 75 CO 0.71 -0.15 -0.10 0.99 -0.10 0.00 0.00 175.22 176.57 1b95 s THR 76 N 0.24 2.79 -0.14 0.64 2.01 0.54 -1.44 115.64 120.27 1b95 s THR 76 Ca -0.05 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 1b95 s THR 76 Cb -0.11 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 1b95 s THR 76 CO 0.01 0.41 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.59 1b95 s LEU 77 N 1.37 3.49 -0.11 4.42 1.02 -0.10 -0.35 118.68 128.43 1b95 s LEU 77 Ca 0.04 0.01 -0.30 0.00 0.02 0.00 0.00 54.13 53.90 1b95 s LEU 77 Cb -0.14 -1.84 0.08 0.00 0.02 0.00 0.00 46.19 44.31 1b95 s LEU 77 CO -0.07 0.23 0.73 -0.72 0.02 0.00 0.00 176.35 176.55 1b95 s TYR 78 N -0.01 -0.64 0.09 0.29 1.13 -0.34 -0.85 117.35 117.01 1b95 s TYR 78 Ca 0.03 1.21 -0.13 0.00 -1.41 0.00 0.00 57.07 56.77 1b95 s TYR 78 Cb -0.13 0.39 -0.06 0.00 -1.10 0.00 0.00 41.96 41.06 1b95 s TYR 78 CO 0.02 -0.53 0.47 0.15 -2.51 0.00 0.00 175.55 173.15 1b95 s LYS 79 N -0.86 3.89 0.47 -3.49 1.02 -1.26 0.28 119.74 119.79 1b95 s LYS 79 Ca -0.08 0.37 0.23 0.00 0.02 0.00 0.00 55.97 56.51 1b95 s LYS 79 Cb -0.01 -3.02 1.15 0.00 -0.52 0.00 0.00 37.83 35.43 1b95 s LYS 79 CO 0.07 0.55 1.96 -1.35 -0.92 0.00 0.00 175.35 175.66 1b95 h PRO 80 N 3.85 0.00 0.00 -1.68 0.11 -1.99 -2.56 132.00 129.74 1b95 h PRO 80 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b95 h PRO 80 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1b95 h PRO 80 CO 0.65 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 179.31 1b95 h SER 81 N 0.00 0.00 -2.81 -2.05 4.64 -1.98 -3.37 113.55 107.98 1b95 h SER 81 Ca -0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1b95 h SER 81 Cb 0.50 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.19 1b95 h SER 81 CO 0.03 0.00 -0.72 -0.62 -0.87 0.00 0.00 176.83 174.65 1b95 n GLU 82 N -2.90 1.26 0.28 4.77 1.02 -0.96 -4.96 120.64 119.14 1b95 n GLU 82 Ca 0.04 -4.02 0.17 0.00 -0.02 0.00 0.00 57.16 53.32 1b95 n GLU 82 Cb 0.48 -2.06 0.78 0.00 -0.02 0.00 0.00 31.44 30.62 1b95 n GLU 82 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1b95 h PRO 83 N 5.45 0.00 -0.53 3.49 0.13 -1.74 -2.82 132.00 135.98 1b95 h PRO 83 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1b95 h PRO 83 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1b95 h PRO 83 CO 0.60 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 178.51 1b95 n ASN 84 N -3.24 5.22 -0.94 1.44 3.02 -1.26 -4.21 115.26 115.28 1b95 n ASN 84 Ca -0.01 -2.86 -0.00 0.00 -0.03 0.00 0.00 54.58 51.68 1b95 n ASN 84 Cb 0.26 -0.64 0.20 0.00 -0.61 0.00 0.00 39.78 38.99 1b95 n ASN 84 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1b95 n LYS 85 N 0.50 1.74 -1.93 3.52 4.76 -1.06 -4.47 118.16 121.22 1b95 n LYS 85 Ca 0.26 -3.23 -0.39 0.00 -2.87 0.00 0.00 58.31 52.07 1b95 n LYS 85 Cb 1.09 -1.74 0.01 0.00 -1.84 0.00 0.00 35.03 32.54 1b95 n LYS 85 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1b95 s LYS 86 N -3.24 3.79 -0.16 1.97 1.02 -0.77 -4.62 119.74 117.71 1b95 s LYS 86 Ca 0.42 2.27 -0.01 0.00 0.02 0.00 0.00 55.97 58.67 1b95 s LYS 86 Cb 0.39 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1b95 s LYS 86 CO -0.03 -0.68 -0.11 0.42 -0.92 0.00 0.00 175.35 174.02 1b95 s ILE 87 N -1.24 3.05 -0.24 2.17 1.01 -0.03 -0.43 121.20 125.49 1b95 s ILE 87 Ca 0.60 -0.64 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 1b95 s ILE 87 Cb -0.41 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1b95 s ILE 87 CO 0.52 0.50 0.14 0.00 0.00 0.00 0.00 174.94 176.10 1b95 s ALA 88 N 0.76 3.55 -0.18 9.38 0.00 0.78 -0.93 121.76 135.12 1b95 s ALA 88 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1b95 s ALA 88 Cb -0.15 -2.27 0.01 0.00 0.00 0.00 0.00 23.12 20.71 1b95 s ALA 88 CO 0.01 -0.19 -0.17 0.42 0.00 0.00 0.00 175.76 175.84 1b95 s ILE 89 N 1.06 2.38 -0.05 0.00 1.01 -0.52 0.59 121.20 125.67 1b95 s ILE 89 Ca 0.07 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.92 1b95 s ILE 89 Cb -0.14 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1b95 s ILE 89 CO 0.04 0.52 -0.17 -0.62 0.00 0.00 0.00 174.94 174.71 1b95 s ASP 90 N 1.24 3.81 -0.24 3.58 2.15 -0.09 -1.78 116.67 125.35 1b95 s ASP 90 Ca 0.03 -0.27 -0.09 0.00 0.43 0.00 0.00 52.55 52.66 1b95 s ASP 90 Cb -0.14 -0.81 -0.04 0.00 -0.30 0.00 0.00 42.92 41.64 1b95 s ASP 90 CO -0.09 0.33 0.11 -0.63 -0.17 0.00 0.00 175.17 174.72 1b95 s ILE 91 N -0.62 4.86 0.05 4.11 1.01 -1.26 -0.45 121.20 128.90 1b95 s ILE 91 Ca 0.09 0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.83 1b95 s ILE 91 Cb -0.11 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1b95 s ILE 91 CO 0.01 0.35 -0.23 -0.54 0.00 0.00 0.00 174.94 174.52 1b95 s LYS 92 N 1.22 1.54 0.05 2.79 -0.14 0.47 -4.96 119.74 120.71 1b95 s LYS 92 Ca 0.06 -1.04 0.05 0.00 -1.36 0.00 0.00 55.97 53.67 1b95 s LYS 92 Cb -0.14 -1.71 -0.02 0.00 -1.68 0.00 0.00 37.83 34.27 1b95 s LYS 92 CO 0.05 0.44 -0.14 0.99 -0.76 0.00 0.00 175.35 175.93 1b95 s THR 93 N -0.83 1.09 0.27 2.17 2.01 -1.26 -0.36 115.64 118.73 1b95 s THR 93 Ca 0.10 -1.11 -0.13 0.00 0.31 0.00 0.00 61.69 60.86 1b95 s THR 93 Cb -0.09 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1b95 s THR 93 CO 0.02 -0.09 0.53 0.28 -0.69 0.00 0.00 174.62 174.67 1b95 s THR 94 N -1.01 0.00 0.37 -0.82 -1.32 -0.59 -4.95 115.64 107.31 1b95 s THR 94 Ca -0.00 -1.36 0.05 0.00 -1.21 0.00 0.00 61.69 59.17 1b95 s THR 94 Cb -0.09 -2.29 -0.07 0.00 -1.51 0.00 0.00 72.50 68.55 1b95 s THR 94 CO 0.02 0.00 0.04 -0.72 -2.21 0.00 0.00 174.62 171.74 1b95 s TYR 95 N -3.76 2.21 0.07 9.09 1.13 -1.26 -2.31 117.35 122.52 1b95 s TYR 95 Ca 0.22 -0.83 0.03 0.00 -1.41 0.00 0.00 57.07 55.07 1b95 s TYR 95 Cb -0.02 -1.52 -0.03 0.00 -1.10 0.00 0.00 41.96 39.30 1b95 s TYR 95 CO 0.10 0.21 -0.09 0.95 -2.51 0.00 0.00 175.55 174.22 1b95 s THR 96 N -3.01 0.71 -0.08 -3.49 -4.23 -0.46 -4.89 115.64 100.19 1b95 s THR 96 Ca 0.35 -1.39 0.14 0.00 -1.18 0.00 0.00 61.69 59.61 1b95 s THR 96 Cb 0.09 -1.03 -0.20 0.00 1.34 0.00 0.00 72.50 72.70 1b95 s THR 96 CO 0.16 -0.51 0.68 0.59 -0.54 0.00 0.00 174.62 175.01 1b95 n ASN 97 N 0.94 0.81 -4.13 3.99 3.02 -1.26 -1.37 115.26 117.26 1b95 n ASN 97 Ca -0.19 0.38 -0.14 0.00 -0.03 0.00 0.00 54.58 54.60 1b95 n ASN 97 Cb 0.56 0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.71 1b95 n ASN 97 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1b95 s LYS 98 N -2.71 0.73 0.27 3.52 3.01 -1.26 -4.68 119.74 118.62 1b95 s LYS 98 Ca -0.04 -1.01 0.00 0.00 -1.01 0.00 0.00 55.97 53.91 1b95 s LYS 98 Cb 0.08 -0.45 0.56 0.00 -1.01 0.00 0.00 37.83 37.01 1b95 s LYS 98 CO 0.82 0.07 1.78 0.93 0.51 0.00 0.00 175.35 179.47 1b95 h GLU 99 N 3.93 0.71 -1.62 1.68 4.39 -2.00 -3.21 114.58 118.46 1b95 h GLU 99 Ca -0.37 -0.04 -0.67 0.00 0.34 0.00 0.00 59.36 58.61 1b95 h GLU 99 Cb 1.19 -0.16 -0.34 0.00 -0.10 0.00 0.00 28.75 29.34 1b95 h GLU 99 CO 0.48 0.47 0.18 0.09 -1.16 0.00 0.00 179.01 179.08 1b95 n ASN 100 N -4.79 6.22 -4.83 1.42 3.02 -1.26 -4.99 115.26 110.05 1b95 n ASN 100 Ca 0.18 -3.78 -0.22 0.00 -0.03 0.00 0.00 54.58 50.74 1b95 n ASN 100 Cb 0.43 -0.76 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 1b95 n ASN 100 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1b95 s GLU 101 N -3.80 2.72 0.37 3.52 2.02 -1.22 -5.06 118.70 117.24 1b95 s GLU 101 Ca 0.51 -1.27 -0.24 0.00 0.02 0.00 0.00 54.97 53.99 1b95 s GLU 101 Cb 0.43 -2.45 -0.10 0.00 0.10 0.00 0.00 34.13 32.10 1b95 s GLU 101 CO -0.25 0.17 0.95 0.15 0.02 0.00 0.00 175.26 176.29 1b95 s LYS 102 N -3.94 4.43 0.40 1.61 1.02 -1.26 -4.61 119.74 117.39 1b95 s LYS 102 Ca 0.39 1.25 0.04 0.00 0.02 0.00 0.00 55.97 57.66 1b95 s LYS 102 Cb -0.06 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1b95 s LYS 102 CO 0.26 0.14 0.07 0.96 -0.92 0.00 0.00 175.35 175.86 1b95 s ILE 103 N -1.85 1.06 -0.03 2.17 -4.36 0.23 -4.89 121.20 113.53 1b95 s ILE 103 Ca 0.55 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.64 1b95 s ILE 103 Cb -0.15 -2.55 0.07 0.00 1.25 0.00 0.00 42.46 41.08 1b95 s ILE 103 CO 0.19 0.00 0.67 -1.59 0.24 0.00 0.00 174.94 174.46 1b95 s LYS 104 N -3.81 1.07 0.20 0.37 -2.85 -1.26 -2.12 119.74 111.34 1b95 s LYS 104 Ca 0.26 0.20 0.10 0.00 -1.00 0.00 0.00 55.97 55.54 1b95 s LYS 104 Cb 0.05 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1b95 s LYS 104 CO 0.13 -0.35 -0.20 -0.06 0.10 0.00 0.00 175.35 174.98 1b95 s PHE 105 N -1.38 2.06 -0.18 1.78 0.40 -1.26 -4.87 117.98 114.53 1b95 s PHE 105 Ca -0.10 -0.42 -0.17 0.00 -0.60 0.00 0.00 56.93 55.64 1b95 s PHE 105 Cb -0.00 -0.99 -0.04 0.00 0.51 0.00 0.00 43.02 42.50 1b95 s PHE 105 CO 0.08 0.46 0.46 0.95 0.70 0.00 0.00 175.22 177.88 1b95 s THR 106 N -2.09 5.16 -0.31 0.64 -4.23 -1.26 -1.61 115.64 111.95 1b95 s THR 106 Ca 0.21 0.86 0.10 0.00 -1.18 0.00 0.00 61.69 61.67 1b95 s THR 106 Cb -0.06 -3.79 0.59 0.00 1.34 0.00 0.00 72.50 70.58 1b95 s THR 106 CO 0.09 0.25 1.62 0.18 -0.54 0.00 0.00 174.62 176.22 1b95 n LEU 107 N 4.35 5.02 0.00 4.79 4.77 -0.07 -4.95 117.00 130.91 1b95 n LEU 107 Ca -0.07 -3.49 0.00 0.00 -0.03 0.00 0.00 56.01 52.42 1b95 n LEU 107 Cb 0.51 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1b95 n LEU 107 CO 0.41 1.02 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 1b95 n GLY 108 N -0.82 2.04 3.75 -0.72 0.00 -1.26 -4.73 105.19 103.46 1b95 n GLY 108 Ca 0.38 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 1b95 n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b95 s GLY 109 N 0.00 2.19 0.00 -0.02 0.00 -1.26 0.60 107.32 108.82 1b95 s GLY 109 Ca 0.00 0.65 0.13 0.00 0.00 0.00 0.00 44.72 45.50 1b95 s GLY 109 CO 0.00 1.03 0.90 1.58 0.00 0.00 0.00 173.10 176.61 1b95 n TYR 110 N -2.63 0.00 0.18 1.90 0.18 -0.87 -4.52 117.16 111.41 1b95 n TYR 110 Ca 0.11 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.92 1b95 n TYR 110 Cb 0.51 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.49 1b95 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1b95 n THR 111 N 0.71 0.00 0.00 -3.48 -2.24 -1.26 -4.62 114.28 103.39 1b95 n THR 111 Ca 0.07 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1b95 n THR 111 Cb 0.32 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1b95 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b95 n SER 112 N 0.13 0.00 0.32 3.42 3.41 -1.26 -4.61 113.62 115.02 1b95 n SER 112 Ca 0.02 0.00 0.21 0.00 -0.26 0.00 0.00 58.87 58.84 1b95 n SER 112 Cb 0.11 0.00 1.08 0.00 -0.26 0.00 0.00 64.21 65.13 1b95 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1b95 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.53 -0.56 116.94 117.03 1b95 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1b95 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1b95 h PHE 113 CO 0.00 0.01 0.00 0.44 -2.00 0.00 0.00 178.31 176.76 1b95 n ILE 114 N -3.18 0.60 -0.01 0.88 -5.35 -1.26 -3.46 119.36 107.58 1b95 n ILE 114 Ca -0.02 -0.21 0.04 0.00 -0.27 0.00 0.00 62.75 62.28 1b95 n ILE 114 Cb 0.12 -0.65 -0.08 0.00 -1.74 0.00 0.00 39.64 37.29 1b95 n ILE 114 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1b95 n ARG 115 N -2.23 0.62 -3.75 6.28 1.74 -0.71 -4.88 116.66 113.73 1b95 n ARG 115 Ca 0.05 -0.08 -0.28 0.00 -0.77 0.00 0.00 57.85 56.77 1b95 n ARG 115 Cb 0.40 -1.25 -0.16 0.00 -1.02 0.00 0.00 32.46 30.43 1b95 n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1b95 s ASN 116 N -3.35 2.93 0.34 0.55 3.84 -0.30 -5.05 114.94 113.90 1b95 s ASN 116 Ca -0.04 -0.82 0.13 0.00 0.21 0.00 0.00 52.86 52.34 1b95 s ASN 116 Cb 0.06 -0.62 1.05 0.00 -0.55 0.00 0.00 41.25 41.19 1b95 s ASN 116 CO 0.43 -0.30 1.65 -1.13 -2.79 0.00 0.00 177.10 174.96 1b95 h ASN 117 N 8.23 0.38 -0.45 -4.21 -1.24 -1.85 -1.57 115.58 114.86 1b95 h ASN 117 Ca -0.16 0.20 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1b95 h ASN 117 Cb 1.12 0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.35 1b95 h ASN 117 CO 0.34 -0.18 0.00 0.35 -1.29 0.00 0.00 177.43 176.65 1b95 n THR 118 N -5.12 1.28 -3.03 -3.57 -2.24 -1.26 0.15 114.28 100.49 1b95 n THR 118 Ca 0.31 -1.14 -0.42 0.00 -2.27 0.00 0.00 64.05 60.53 1b95 n THR 118 Cb 0.97 0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1b95 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b95 s LYS 119 N -1.35 3.76 -1.23 -0.78 2.20 -0.59 -4.27 119.74 117.48 1b95 s LYS 119 Ca 0.35 0.23 -0.07 0.00 -0.36 0.00 0.00 55.97 56.12 1b95 s LYS 119 Cb 0.20 -3.79 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1b95 s LYS 119 CO 0.20 -0.76 1.07 0.09 -0.36 0.00 0.00 175.35 175.58 1b95 n ASN 120 N 6.19 -5.25 -3.87 1.43 4.13 -1.26 -2.09 115.26 114.54 1b95 n ASN 120 Ca 0.01 -0.52 -0.11 0.00 1.68 0.00 0.00 54.58 55.64 1b95 n ASN 120 Cb 0.48 -4.74 -0.11 0.00 -1.54 0.00 0.00 39.78 33.87 1b95 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1b95 s ILE 121 N -3.31 0.05 0.09 2.41 2.07 -1.26 -1.59 121.20 119.66 1b95 s ILE 121 Ca 0.43 -0.41 -0.21 0.00 -1.41 0.00 0.00 60.65 59.06 1b95 s ILE 121 Cb -0.19 -0.28 -0.10 0.00 0.13 0.00 0.00 42.46 42.02 1b95 s ILE 121 CO 0.68 -0.23 1.66 0.58 -1.91 0.00 0.00 174.94 175.72 1b95 h VAL 122 N 4.66 1.13 -3.37 4.00 2.07 -1.19 -3.44 116.25 120.11 1b95 h VAL 122 Ca -0.28 -0.39 -0.63 0.00 0.82 0.00 0.00 66.70 66.22 1b95 h VAL 122 Cb 1.20 1.08 -0.19 0.00 -1.52 0.00 0.00 31.29 31.86 1b95 h VAL 122 CO 0.42 0.12 -0.82 -0.31 0.02 0.00 0.00 177.57 177.00 1b95 s TYR 123 N -5.69 2.17 0.15 1.57 2.02 -1.26 -5.09 117.35 111.22 1b95 s TYR 123 Ca -0.14 -0.39 -0.32 0.00 -0.37 0.00 0.00 57.07 55.86 1b95 s TYR 123 Cb 0.07 -1.10 -0.17 0.00 -0.40 0.00 0.00 41.96 40.36 1b95 s TYR 123 CO 0.70 0.42 0.86 -2.30 -1.57 0.00 0.00 175.55 173.66 1b95 n PRO 124 N 0.43 0.40 -0.29 -1.71 -0.02 -1.26 -4.83 135.00 127.71 1b95 n PRO 124 Ca -0.14 0.14 0.17 0.00 -2.02 0.00 0.00 63.50 61.65 1b95 n PRO 124 Cb 0.56 -1.42 0.43 0.00 -0.02 0.00 0.00 33.50 33.04 1b95 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1b95 h PHE 125 N 2.18 0.77 0.00 6.00 3.57 -0.60 -1.91 116.94 126.95 1b95 h PHE 125 Ca -0.39 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1b95 h PHE 125 Cb 1.41 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1b95 h PHE 125 CO 0.49 0.19 0.00 -0.40 -2.23 0.00 0.00 178.31 176.36 1b95 n ASP 126 N -4.61 0.00 -0.00 0.41 5.75 -1.26 -2.22 116.55 114.61 1b95 n ASP 126 Ca 0.21 -0.72 0.11 0.00 -0.01 0.00 0.00 54.79 54.38 1b95 n ASP 126 Cb 0.65 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.87 1b95 n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b95 n GLN 127 N -0.88 0.01 -3.35 0.11 6.02 -0.72 -4.89 117.38 113.69 1b95 n GLN 127 Ca 0.10 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.71 1b95 n GLN 127 Cb 0.05 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.75 1b95 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b95 s TYR 128 N -2.99 3.54 -1.04 1.08 1.51 -0.94 -1.85 117.35 116.65 1b95 s TYR 128 Ca 0.10 0.89 0.17 0.00 -1.01 0.00 0.00 57.07 57.22 1b95 s TYR 128 Cb 0.17 -2.51 -0.13 0.00 -0.11 0.00 0.00 41.96 39.39 1b95 s TYR 128 CO 0.75 0.23 0.77 0.44 -1.11 0.00 0.00 175.55 176.64 1b95 n ILE 129 N 3.42 0.00 -3.71 2.71 -5.35 0.43 -4.90 119.36 111.96 1b95 n ILE 129 Ca -0.08 -0.17 -0.14 0.00 -0.27 0.00 0.00 62.75 62.09 1b95 n ILE 129 Cb 0.52 1.06 -0.09 0.00 -1.74 0.00 0.00 39.64 39.39 1b95 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b95 s ALA 130 N -2.41 -1.10 -0.34 -1.28 0.00 -1.20 -5.05 121.76 110.39 1b95 s ALA 130 Ca 0.09 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.16 1b95 s ALA 130 Cb 0.13 -0.55 0.10 0.00 0.00 0.00 0.00 23.12 22.81 1b95 s ALA 130 CO 0.61 -0.23 0.11 -1.01 0.00 0.00 0.00 175.76 175.24 1b95 s HIS 131 N -0.13 2.18 -0.03 0.00 3.76 -1.26 -0.15 115.29 119.66 1b95 s HIS 131 Ca -0.03 -2.11 -0.02 0.00 -0.15 0.00 0.00 55.06 52.75 1b95 s HIS 131 Cb -0.03 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.62 1b95 s HIS 131 CO 0.02 -0.88 0.12 -1.58 -0.85 0.00 0.00 174.74 171.57 1b95 s TRP 132 N 1.28 3.42 -0.22 1.40 0.51 0.20 -1.03 118.94 124.50 1b95 s TRP 132 Ca 0.11 0.32 -0.03 0.00 -2.12 0.00 0.00 56.10 54.37 1b95 s TRP 132 Cb -0.19 -1.81 -0.00 0.00 -0.81 0.00 0.00 33.47 30.66 1b95 s TRP 132 CO -0.18 0.61 -0.06 0.42 -0.51 0.00 0.00 176.95 177.23 1b95 s ILE 133 N -1.18 3.23 -0.41 2.03 -1.09 0.14 -0.92 121.20 123.00 1b95 s ILE 133 Ca 0.22 -0.56 -0.19 0.00 -2.23 0.00 0.00 60.65 57.89 1b95 s ILE 133 Cb -0.12 -2.47 0.02 0.00 -1.58 0.00 0.00 42.46 38.30 1b95 s ILE 133 CO 0.13 0.42 0.53 -0.63 -1.23 0.00 0.00 174.94 174.16 1b95 s ILE 134 N 1.45 4.98 -0.18 2.92 1.01 0.41 -1.60 121.20 130.19 1b95 s ILE 134 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.63 1b95 s ILE 134 Cb -0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1b95 s ILE 134 CO -0.04 -0.43 0.08 -0.83 0.00 0.00 0.00 174.94 173.72 1b95 s GLY 135 N 1.86 1.95 -0.14 6.18 0.00 -0.56 -0.40 107.32 116.22 1b95 s GLY 135 Ca 0.17 -0.73 -0.00 0.00 0.00 0.00 0.00 44.72 44.16 1b95 s GLY 135 CO 0.15 0.04 -0.12 -0.19 0.00 0.00 0.00 173.10 172.99 1b95 s TYR 136 N 0.28 2.83 -0.20 1.90 2.02 0.51 -1.60 117.35 123.09 1b95 s TYR 136 Ca 0.05 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 1b95 s TYR 136 Cb -0.12 -1.86 0.04 0.00 -0.40 0.00 0.00 41.96 39.62 1b95 s TYR 136 CO -0.00 -0.22 -0.13 0.08 -1.57 0.00 0.00 175.55 173.71 1b95 s VAL 137 N 0.41 1.79 0.08 0.71 1.01 0.24 -1.55 120.40 123.09 1b95 s VAL 137 Ca -0.10 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 60.92 1b95 s VAL 137 Cb -0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1b95 s VAL 137 CO 0.05 0.25 -0.18 -0.72 0.00 0.00 0.00 175.10 174.49 1b95 s TYR 138 N 1.34 2.53 -0.24 5.22 1.13 -0.98 -0.34 117.35 126.02 1b95 s TYR 138 Ca -0.00 -0.27 -0.17 0.00 -1.41 0.00 0.00 57.07 55.22 1b95 s TYR 138 Cb -0.16 -1.39 -0.03 0.00 -1.10 0.00 0.00 41.96 39.28 1b95 s TYR 138 CO -0.09 0.32 0.47 0.99 -2.51 0.00 0.00 175.55 174.74 1b95 s THR 139 N -1.04 5.11 0.47 -3.49 2.01 -0.36 -1.35 115.64 116.99 1b95 s THR 139 Ca 0.16 0.81 -0.24 0.00 0.31 0.00 0.00 61.69 62.73 1b95 s THR 139 Cb -0.10 -3.79 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 1b95 s THR 139 CO 0.08 0.14 1.39 -0.13 -0.69 0.00 0.00 174.62 175.41 1b95 s ARG 140 N 2.01 3.58 0.32 4.92 0.52 -0.47 -1.07 118.95 128.76 1b95 s ARG 140 Ca 0.20 2.33 -0.27 0.00 -0.52 0.00 0.00 55.73 57.48 1b95 s ARG 140 Cb -0.15 -2.56 -0.09 0.00 0.52 0.00 0.00 34.95 32.66 1b95 s ARG 140 CO 0.09 -0.87 1.00 0.14 0.02 0.00 0.00 175.30 175.68 1b95 s VAL 141 N -1.24 3.91 0.27 3.52 -7.23 -1.26 -4.58 120.40 113.79 1b95 s VAL 141 Ca 0.63 1.66 -0.03 0.00 -1.81 0.00 0.00 61.98 62.44 1b95 s VAL 141 Cb -0.42 -3.96 0.20 0.00 0.56 0.00 0.00 36.38 32.77 1b95 s VAL 141 CO 0.53 0.20 1.88 0.00 -0.31 0.00 0.00 175.10 177.40 1b95 h ALA 142 N 3.25 1.26 -2.32 1.32 0.00 -1.96 -3.43 119.26 117.40 1b95 h ALA 142 Ca -0.47 -0.14 -0.58 0.00 0.00 0.00 0.00 54.91 53.73 1b95 h ALA 142 Cb 1.20 -0.29 0.06 0.00 0.00 0.00 0.00 17.79 18.76 1b95 h ALA 142 CO 0.65 0.57 0.81 0.25 0.00 0.00 0.00 179.25 181.53 1b95 n THR 143 N -4.33 0.06 -1.48 0.00 -2.24 -1.26 -4.90 114.28 100.13 1b95 n THR 143 Ca 0.07 -0.01 -0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1b95 n THR 143 Cb 0.13 -1.58 0.20 0.00 -2.10 0.00 0.00 70.33 66.98 1b95 n THR 143 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1b95 n ARG 144 N 3.38 1.77 -3.05 -0.78 1.74 -1.26 -4.75 116.66 113.71 1b95 n ARG 144 Ca 0.16 -3.20 -0.18 0.00 -0.77 0.00 0.00 57.85 53.87 1b95 n ARG 144 Cb 0.30 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 1b95 n ARG 144 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1b95 n LYS 145 N -1.11 0.64 -1.32 5.56 5.02 -1.26 -5.14 118.16 120.55 1b95 n LYS 145 Ca 0.28 -2.68 -0.32 0.00 -2.02 0.00 0.00 58.31 53.57 1b95 n LYS 145 Cb 0.91 -1.38 0.09 0.00 -0.02 0.00 0.00 35.03 34.64 1b95 n LYS 145 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1b95 s SER 146 N -0.97 4.29 0.13 4.39 1.04 -1.26 -4.89 113.70 116.42 1b95 s SER 146 Ca 0.33 2.05 -0.34 0.00 0.48 0.00 0.00 55.95 58.48 1b95 s SER 146 Cb 0.15 -2.55 -0.17 0.00 0.10 0.00 0.00 66.02 63.55 1b95 s SER 146 CO -0.16 -2.19 1.08 -0.24 0.98 0.00 0.00 173.24 172.72 1b95 n SER 147 N -3.20 0.75 -1.00 7.02 2.88 -1.26 -4.90 113.62 113.91 1b95 n SER 147 Ca 0.11 1.14 0.06 0.00 -1.33 0.00 0.00 58.87 58.85 1b95 n SER 147 Cb 0.52 -1.11 0.25 0.00 -0.75 0.00 0.00 64.21 63.12 1b95 n SER 147 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1b95 n LEU 148 N 1.96 4.06 -4.65 2.46 4.77 -1.26 -4.80 117.00 119.54 1b95 n LEU 148 Ca 0.17 -3.15 -0.27 0.00 -0.03 0.00 0.00 56.01 52.73 1b95 n LEU 148 Cb 0.20 -0.57 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1b95 n LEU 148 CO 0.61 0.77 -0.26 -1.59 -1.33 0.00 0.00 177.39 175.59 1b95 s LYS 149 N -2.91 2.04 0.23 3.23 -2.85 -1.26 -5.13 119.74 113.09 1b95 s LYS 149 Ca 0.43 -1.99 0.06 0.00 -1.00 0.00 0.00 55.97 53.48 1b95 s LYS 149 Cb 0.36 -1.77 -0.04 0.00 -2.06 0.00 0.00 37.83 34.32 1b95 s LYS 149 CO 0.08 -0.04 0.19 0.95 0.10 0.00 0.00 175.35 176.63 1b95 s THR 150 N -2.66 4.51 0.26 3.79 -4.23 -1.26 -4.43 115.64 111.62 1b95 s THR 150 Ca 0.37 -1.31 0.05 0.00 -1.18 0.00 0.00 61.69 59.61 1b95 s THR 150 Cb 0.07 -3.41 -0.06 0.00 1.34 0.00 0.00 72.50 70.44 1b95 s THR 150 CO 0.19 -0.30 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.64 1b95 s TYR 151 N -2.05 1.75 0.42 3.99 1.51 0.11 -4.95 117.35 118.14 1b95 s TYR 151 Ca 0.33 -0.83 0.07 0.00 -1.01 0.00 0.00 57.07 55.63 1b95 s TYR 151 Cb -0.08 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1b95 s TYR 151 CO 0.25 0.10 0.24 0.54 -1.11 0.00 0.00 175.55 175.57 1b95 s ASN 152 N -3.37 4.59 0.47 2.29 2.20 -1.26 0.40 114.94 120.24 1b95 s ASN 152 Ca 0.29 -1.01 0.16 0.00 -0.94 0.00 0.00 52.86 51.36 1b95 s ASN 152 Cb 0.05 -0.44 1.14 0.00 -2.00 0.00 0.00 41.25 40.00 1b95 s ASN 152 CO 0.10 -0.60 2.03 0.40 -2.94 0.00 0.00 177.10 176.09 1b95 h ILE 153 N 1.29 0.90 0.00 0.54 2.04 -1.98 -1.34 117.51 118.96 1b95 h ILE 153 Ca -0.42 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1b95 h ILE 153 Cb 1.26 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1b95 h ILE 153 CO 0.66 0.05 0.00 0.59 0.00 0.00 0.00 178.15 179.45 1b95 n ASN 154 N -4.46 0.00 -1.10 1.72 3.02 -1.26 -3.32 115.26 109.85 1b95 n ASN 154 Ca 0.06 0.18 0.08 0.00 -0.03 0.00 0.00 54.58 54.87 1b95 n ASN 154 Cb 0.33 -0.39 0.27 0.00 -0.61 0.00 0.00 39.78 39.38 1b95 n ASN 154 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1b95 n GLU 155 N -1.39 3.25 -0.30 3.52 1.02 -0.51 -4.73 120.64 121.50 1b95 n GLU 155 Ca 0.10 -2.62 0.12 0.00 -0.02 0.00 0.00 57.16 54.74 1b95 n GLU 155 Cb 0.28 -1.68 0.26 0.00 -0.02 0.00 0.00 31.44 30.28 1b95 n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1b95 h LEU 156 N 2.81 -0.16 0.00 -4.62 3.38 -1.61 0.12 115.31 115.23 1b95 h LEU 156 Ca 0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1b95 h LEU 156 Cb 1.22 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1b95 h LEU 156 CO 0.16 -0.20 0.00 0.59 0.09 0.00 0.00 178.44 179.08 1b95 n ASN 157 N -5.30 0.00 0.01 -0.43 5.03 -1.26 -2.69 115.26 110.62 1b95 n ASN 157 Ca 0.20 -1.11 0.11 0.00 0.87 0.00 0.00 54.58 54.65 1b95 n ASN 157 Cb 0.65 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.34 1b95 n ASN 157 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1b95 n GLU 158 N -0.85 0.37 -2.35 3.52 1.02 0.42 -4.93 120.64 117.85 1b95 n GLU 158 Ca 0.14 -0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 1b95 n GLU 158 Cb 0.06 -1.56 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 1b95 n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b95 s ILE 159 N -3.27 4.10 0.18 -3.67 1.01 -1.09 -4.97 121.20 113.49 1b95 s ILE 159 Ca 0.00 1.29 -0.33 0.00 0.00 0.00 0.00 60.65 61.62 1b95 s ILE 159 Cb 0.14 -3.96 -0.13 0.00 0.01 0.00 0.00 42.46 38.52 1b95 s ILE 159 CO 0.85 -0.26 1.63 -2.65 0.00 0.00 0.00 174.94 174.52 1b95 n PRO 160 N 7.02 2.39 -2.57 2.79 -0.02 -1.26 -4.94 135.00 138.41 1b95 n PRO 160 Ca 0.15 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 62.08 1b95 n PRO 160 Cb 0.45 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 1b95 n PRO 160 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1b95 s LYS 161 N 1.02 4.56 -0.01 -0.52 3.01 -1.26 -4.76 119.74 121.78 1b95 s LYS 161 Ca 0.77 1.62 0.00 0.00 -1.01 0.00 0.00 55.97 57.36 1b95 s LYS 161 Cb -0.61 -3.36 0.02 0.00 -1.01 0.00 0.00 37.83 32.88 1b95 s LYS 161 CO 0.36 -0.02 0.74 -0.35 0.51 0.00 0.00 175.35 176.58 1b95 n PRO 162 N 3.23 1.09 -3.48 -1.68 -0.04 -1.26 -4.79 135.00 128.07 1b95 n PRO 162 Ca 0.05 -0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 1b95 n PRO 162 Cb 0.48 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 1b95 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1b95 s TYR 163 N -0.66 -0.57 0.03 0.54 -0.85 -1.26 -4.49 117.35 110.09 1b95 s TYR 163 Ca 0.02 0.66 0.03 0.00 -0.52 0.00 0.00 57.07 57.27 1b95 s TYR 163 Cb 0.01 0.49 -0.25 0.00 0.38 0.00 0.00 41.96 42.60 1b95 s TYR 163 CO 0.00 -0.70 0.93 0.87 -1.52 0.00 0.00 175.55 175.13 1b95 h LYS 164 N 2.44 0.12 -1.39 -3.49 1.57 -1.35 -3.46 116.57 111.01 1b95 h LYS 164 Ca -0.29 -0.20 0.18 0.00 -1.87 0.00 0.00 60.65 58.46 1b95 h LYS 164 Cb 1.23 0.08 -0.23 0.00 0.08 0.00 0.00 32.23 33.38 1b95 h LYS 164 CO 0.38 0.94 0.76 0.20 -0.57 0.00 0.00 179.45 181.15 1b95 s GLY 165 N -4.93 -0.15 -0.03 3.86 0.00 -1.26 -4.98 107.32 99.83 1b95 s GLY 165 Ca -0.05 2.17 0.05 0.00 0.00 0.00 0.00 44.72 46.89 1b95 s GLY 165 CO 0.84 0.91 -0.17 0.14 0.00 0.00 0.00 173.10 174.82 1b95 s VAL 166 N -1.48 1.38 0.06 1.40 1.01 -1.26 -1.22 120.40 120.30 1b95 s VAL 166 Ca 0.05 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1b95 s VAL 166 Cb -0.01 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1b95 s VAL 166 CO -0.04 0.40 -0.23 -0.54 0.00 0.00 0.00 175.10 174.69 1b95 s LYS 167 N -0.11 1.45 0.07 2.72 1.02 0.54 -4.97 119.74 120.46 1b95 s LYS 167 Ca -0.00 -1.06 0.04 0.00 0.02 0.00 0.00 55.97 54.98 1b95 s LYS 167 Cb -0.10 -1.64 -0.03 0.00 -0.52 0.00 0.00 37.83 35.54 1b95 s LYS 167 CO 0.01 0.41 -0.12 0.54 -0.92 0.00 0.00 175.35 175.27 1b95 s VAL 168 N -0.88 0.98 0.09 3.17 0.11 -1.26 -0.59 120.40 122.02 1b95 s VAL 168 Ca 0.09 -1.29 -0.07 0.00 -2.93 0.00 0.00 61.98 57.78 1b95 s VAL 168 Cb -0.09 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1b95 s VAL 168 CO 0.03 -0.29 0.15 0.72 -3.33 0.00 0.00 175.10 172.38 1b95 s PHE 169 N -1.39 0.27 -0.09 1.54 -0.12 -0.63 -4.95 117.98 112.61 1b95 s PHE 169 Ca -0.03 -0.72 0.02 0.00 -0.05 0.00 0.00 56.93 56.15 1b95 s PHE 169 Cb -0.09 -0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.17 1b95 s PHE 169 CO 0.02 -0.52 -0.15 -1.17 -0.05 0.00 0.00 175.22 173.34 1b95 s LEU 170 N -2.89 1.72 0.04 -1.99 0.20 -1.26 -1.50 118.68 113.01 1b95 s LEU 170 Ca 0.07 -0.39 -0.21 0.00 0.69 0.00 0.00 54.13 54.29 1b95 s LEU 170 Cb 0.05 -1.02 0.05 0.00 -0.43 0.00 0.00 46.19 44.84 1b95 s LEU 170 CO -0.09 0.04 0.48 -1.58 -0.29 0.00 0.00 176.35 174.90 1b95 s GLN 171 N 0.80 0.99 0.41 1.98 2.00 -0.63 -4.94 119.66 120.26 1b95 s GLN 171 Ca -0.11 -0.27 -0.26 0.00 -2.00 0.00 0.00 55.36 52.72 1b95 s GLN 171 Cb -0.16 0.45 -0.08 0.00 0.80 0.00 0.00 33.01 34.02 1b95 s GLN 171 CO 0.02 -0.35 1.29 -0.51 -0.50 0.00 0.00 175.29 175.24 1b95 s ASP 172 N -1.96 6.29 0.10 6.67 1.01 -1.26 0.24 116.67 127.76 1b95 s ASP 172 Ca -0.06 2.62 -0.28 0.00 0.71 0.00 0.00 52.55 55.54 1b95 s ASP 172 Cb -0.01 -2.63 -0.12 0.00 1.01 0.00 0.00 42.92 41.17 1b95 s ASP 172 CO -0.02 -0.86 1.65 0.50 0.21 0.00 0.00 175.17 176.65 1b95 h LYS 173 N 2.61 -0.47 -0.75 8.23 3.64 -1.42 -3.00 116.57 125.41 1b95 h LYS 173 Ca -0.50 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.04 1b95 h LYS 173 Cb 1.25 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.09 1b95 h LYS 173 CO 0.62 -0.32 0.35 0.11 -2.27 0.00 0.00 179.45 177.94 1b95 h TRP 174 N -0.49 0.61 -0.80 1.91 5.08 -1.92 -2.10 115.95 118.24 1b95 h TRP 174 Ca -0.00 0.03 0.07 0.00 1.08 0.00 0.00 58.89 60.08 1b95 h TRP 174 Cb 0.46 -0.16 -0.05 0.00 -3.00 0.00 0.00 29.16 26.41 1b95 h TRP 174 CO -0.16 0.15 0.52 0.28 -1.28 0.00 0.00 178.44 177.95 1b95 h VAL 175 N 0.54 1.01 -0.46 0.12 2.07 -1.92 -2.37 116.25 115.24 1b95 h VAL 175 Ca 0.39 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1b95 h VAL 175 Cb 0.52 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1b95 h VAL 175 CO -0.34 0.15 0.00 2.30 0.02 0.00 0.00 177.57 179.70 1b95 n ILE 176 N -4.49 0.64 -2.27 4.57 -5.35 -0.84 -3.29 119.36 108.32 1b95 n ILE 176 Ca 0.12 -0.82 -0.38 0.00 -0.27 0.00 0.00 62.75 61.40 1b95 n ILE 176 Cb 0.25 0.84 -0.02 0.00 -1.74 0.00 0.00 39.64 38.98 1b95 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b95 s ALA 177 N -1.31 3.11 0.00 -1.28 0.00 -0.88 -0.90 121.76 120.50 1b95 s ALA 177 Ca 0.39 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1b95 s ALA 177 Cb 0.22 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1b95 s ALA 177 CO 0.30 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1b95 n GLY 178 N 0.58 3.08 0.00 0.00 0.00 0.90 -4.26 105.19 105.49 1b95 n GLY 178 Ca 0.05 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1b95 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b95 n ASP 179 N -1.91 1.79 -4.30 1.61 5.75 -1.26 -4.74 116.55 113.49 1b95 n ASP 179 Ca 0.00 -1.80 -0.32 0.00 -0.01 0.00 0.00 54.79 52.66 1b95 n ASP 179 Cb 0.00 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 39.93 1b95 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1b95 s LEU 180 N -0.80 2.30 0.48 -2.12 1.43 -1.26 -4.54 118.68 114.18 1b95 s LEU 180 Ca 0.00 -0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 1b95 s LEU 180 Cb 0.00 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.67 1b95 s LEU 180 CO 0.00 0.21 0.99 0.00 0.23 0.00 0.00 176.35 177.78 1b95 n ALA 181 N 3.22 0.21 0.14 4.21 0.00 -1.26 -2.98 120.51 124.05 1b95 n ALA 181 Ca -0.18 0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.46 1b95 n ALA 181 Cb 0.53 -2.09 0.03 0.00 0.00 0.00 0.00 19.45 17.92 1b95 n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1b95 h GLY 182 N 1.20 0.00 -3.13 0.00 0.00 0.56 -3.41 103.07 98.30 1b95 h GLY 182 Ca -0.46 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1b95 h GLY 182 CO 0.55 0.00 -0.18 -1.35 0.00 0.00 0.00 176.54 175.56 1b95 s SER 183 N -6.22 -0.11 0.00 0.19 1.04 -1.20 -4.88 113.70 102.51 1b95 s SER 183 Ca 0.03 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1b95 s SER 183 Cb 0.07 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1b95 s SER 183 CO 0.74 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1b95 n GLY 184 N -0.14 -0.08 0.28 7.32 0.00 -1.26 -3.28 105.19 108.03 1b95 n GLY 184 Ca -0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.01 1b95 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1b95 h ASN 185 N 0.00 0.00 -0.50 1.61 7.08 -2.00 -1.58 115.58 120.19 1b95 h ASN 185 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1b95 h ASN 185 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1b95 h ASN 185 CO 0.00 0.07 0.00 0.35 -2.08 0.00 0.00 177.43 175.77 1b95 n THR 186 N -3.51 1.86 -3.18 6.14 -2.24 -1.26 -5.01 114.28 107.07 1b95 n THR 186 Ca -0.02 -1.33 -0.18 0.00 -2.27 0.00 0.00 64.05 60.25 1b95 n THR 186 Cb 0.20 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1b95 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b95 n THR 187 N 0.61 -2.09 -4.18 4.28 -2.24 -0.60 -4.79 114.28 105.27 1b95 n THR 187 Ca 0.22 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.67 1b95 n THR 187 Cb 0.83 -1.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.11 1b95 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1b95 s ASN 188 N -2.30 5.49 0.43 3.42 0.02 -1.21 -2.05 114.94 118.75 1b95 s ASN 188 Ca 0.05 0.12 -0.26 0.00 -1.02 0.00 0.00 52.86 51.75 1b95 s ASN 188 Cb -0.00 -1.55 -0.09 0.00 0.02 0.00 0.00 41.25 39.63 1b95 s ASN 188 CO 0.56 0.30 1.43 -0.38 0.02 0.00 0.00 177.10 179.03 1b95 n ILE 189 N 1.43 2.62 -4.11 0.60 5.41 0.20 0.99 119.36 126.49 1b95 n ILE 189 Ca -0.15 -0.50 -0.34 0.00 1.00 0.00 0.00 62.75 62.77 1b95 n ILE 189 Cb 0.53 -1.85 -0.07 0.00 -0.71 0.00 0.00 39.64 37.54 1b95 n ILE 189 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1b95 s GLY 190 N -0.40 2.01 0.80 7.39 0.00 -1.16 -0.90 107.32 115.06 1b95 s GLY 190 Ca 0.59 -0.83 -0.06 0.00 0.00 0.00 0.00 44.72 44.43 1b95 s GLY 190 CO 0.59 -0.67 1.10 -1.35 0.00 0.00 0.00 173.10 172.77 1b95 s SER 191 N -1.52 3.96 0.89 1.64 1.04 -0.63 -0.07 113.70 119.01 1b95 s SER 191 Ca 0.21 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.39 1b95 s SER 191 Cb -0.12 -0.14 0.13 0.00 0.10 0.00 0.00 66.02 65.99 1b95 s SER 191 CO 0.11 -2.14 1.10 0.27 0.98 0.00 0.00 173.24 173.56 1b95 s ILE 192 N -3.39 2.59 -0.49 -1.02 -4.36 -0.07 -4.03 121.20 110.43 1b95 s ILE 192 Ca 0.69 0.19 -0.04 0.00 -0.26 0.00 0.00 60.65 61.22 1b95 s ILE 192 Cb -0.05 -2.47 0.13 0.00 1.25 0.00 0.00 42.46 41.32 1b95 s ILE 192 CO 0.47 -0.25 0.32 -2.28 0.24 0.00 0.00 174.94 173.44 1b95 s HIS 193 N -2.77 3.51 0.37 1.37 5.65 -1.26 -4.44 115.29 117.72 1b95 s HIS 193 Ca 0.64 -2.38 -0.05 0.00 0.25 0.00 0.00 55.06 53.53 1b95 s HIS 193 Cb -0.20 -3.29 0.02 0.00 -1.18 0.00 0.00 32.58 27.92 1b95 s HIS 193 CO 0.58 -0.94 0.56 0.00 -0.65 0.00 0.00 174.74 174.28 1b95 s ALA 194 N 0.82 0.51 0.68 1.58 0.00 -0.90 -4.88 121.76 119.56 1b95 s ALA 194 Ca 0.10 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1b95 s ALA 194 Cb -0.22 1.04 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1b95 s ALA 194 CO -0.03 -0.83 1.06 -1.01 0.00 0.00 0.00 175.76 174.94 1b95 s HIS 195 N -2.75 3.12 0.29 0.00 3.76 -1.26 -0.60 115.29 117.85 1b95 s HIS 195 Ca 0.28 1.43 0.02 0.00 -0.15 0.00 0.00 55.06 56.64 1b95 s HIS 195 Cb -0.02 -2.89 0.70 0.00 1.11 0.00 0.00 32.58 31.48 1b95 s HIS 195 CO 0.20 -1.19 1.68 -0.92 -0.85 0.00 0.00 174.74 173.65 1b95 h TYR 196 N -0.56 0.51 -0.79 1.40 3.20 -1.94 -0.82 116.97 117.96 1b95 h TYR 196 Ca -0.44 0.04 0.15 0.00 3.14 0.00 0.00 58.73 61.62 1b95 h TYR 196 Cb 1.21 -0.08 -0.10 0.00 1.54 0.00 0.00 36.73 39.30 1b95 h TYR 196 CO 0.62 -0.12 0.34 -0.22 -1.64 0.00 0.00 178.16 177.15 1b95 h LYS 197 N 0.31 0.47 -0.35 1.82 3.64 -1.99 -1.98 116.57 118.50 1b95 h LYS 197 Ca 0.54 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.86 1b95 h LYS 197 Cb 1.06 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1b95 h LYS 197 CO -0.57 0.31 0.06 -0.44 -2.27 0.00 0.00 179.45 176.54 1b95 h ASP 198 N 0.49 0.47 -0.18 4.20 3.32 -1.51 0.07 116.42 123.29 1b95 h ASP 198 Ca 0.44 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.34 1b95 h ASP 198 Cb 0.66 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1b95 h ASP 198 CO -0.40 0.50 -0.18 -0.26 -1.72 0.00 0.00 179.24 177.17 1b95 h PHE 199 N 0.50 0.52 -0.34 4.55 -1.00 -1.41 0.17 116.94 119.94 1b95 h PHE 199 Ca 0.12 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1b95 h PHE 199 Cb 0.23 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1b95 h PHE 199 CO 0.01 0.81 0.22 0.28 -1.61 0.00 0.00 178.31 178.02 1b95 h VAL 200 N 0.08 1.09 0.00 -0.55 2.07 -1.25 -2.71 116.25 114.98 1b95 h VAL 200 Ca 0.03 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1b95 h VAL 200 Cb 0.73 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1b95 h VAL 200 CO 0.05 0.09 0.00 -0.33 0.02 0.00 0.00 177.57 177.39 1b95 h GLU 201 N 0.45 0.00 -3.56 1.57 5.08 -0.96 -3.48 114.58 113.69 1b95 h GLU 201 Ca 0.12 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 1b95 h GLU 201 Cb -0.04 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.28 1b95 h GLU 201 CO -0.03 0.00 -0.34 0.41 -1.00 0.00 0.00 179.01 178.05 1b95 n GLY 202 N 0.80 0.12 3.24 -3.84 0.00 0.44 -4.96 105.19 100.98 1b95 n GLY 202 Ca 0.04 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1b95 n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b95 n LYS 203 N -2.43 3.76 -0.07 1.61 5.02 -0.33 -4.95 118.16 120.77 1b95 n LYS 203 Ca -0.11 -4.30 0.00 0.00 -2.02 0.00 0.00 58.31 51.89 1b95 n LYS 203 Cb 0.57 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 1b95 n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b95 n GLY 204 N 2.60 0.56 0.00 0.72 0.00 -1.21 -4.92 105.19 102.94 1b95 n GLY 204 Ca 0.28 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1b95 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b95 n ILE 205 N -0.21 0.00 -2.89 -0.61 -5.35 -1.26 -5.05 119.36 103.98 1b95 n ILE 205 Ca 0.00 -0.15 -0.36 0.00 -0.27 0.00 0.00 62.75 61.97 1b95 n ILE 205 Cb 0.00 0.63 -0.06 0.00 -1.74 0.00 0.00 39.64 38.46 1b95 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1b95 s PHE 206 N -1.42 3.63 -0.24 4.28 0.08 -1.26 -4.97 117.98 118.07 1b95 s PHE 206 Ca 0.00 1.62 0.21 0.00 0.12 0.00 0.00 56.93 58.88 1b95 s PHE 206 Cb 0.00 -2.81 0.37 0.00 -0.57 0.00 0.00 43.02 40.01 1b95 s PHE 206 CO 0.00 0.21 1.60 -0.44 -0.10 0.00 0.00 175.22 176.49 1b95 h ASP 207 N 3.07 0.00 -5.50 1.36 3.32 -1.97 -3.47 116.42 113.23 1b95 h ASP 207 Ca -0.47 0.00 0.24 0.00 0.02 0.00 0.00 57.03 56.81 1b95 h ASP 207 Cb 1.19 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 1b95 h ASP 207 CO 0.65 0.21 0.62 -0.94 -1.72 0.00 0.00 179.24 178.05 1b95 s SER 208 N -6.27 -0.13 0.30 6.45 1.04 -1.26 -5.01 113.70 108.83 1b95 s SER 208 Ca 0.05 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.20 1b95 s SER 208 Cb 0.07 0.36 0.48 0.00 0.10 0.00 0.00 66.02 67.03 1b95 s SER 208 CO 0.69 -0.67 1.79 -0.08 0.98 0.00 0.00 173.24 175.94 1b95 h GLU 209 N 2.00 0.52 -0.51 4.02 4.81 -1.93 -1.09 114.58 122.40 1b95 h GLU 209 Ca -0.27 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1b95 h GLU 209 Cb 1.22 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1b95 h GLU 209 CO 0.27 0.64 0.29 0.22 -0.73 0.00 0.00 179.01 179.70 1b95 h ASP 210 N 0.48 0.46 -0.46 1.04 3.58 -1.99 -1.63 116.42 117.89 1b95 h ASP 210 Ca 0.09 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.42 1b95 h ASP 210 Cb 0.52 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1b95 h ASP 210 CO 0.03 0.32 -0.23 -0.08 -2.88 0.00 0.00 179.24 176.40 1b95 h GLU 211 N 0.58 0.97 0.18 0.28 4.81 -1.87 -1.81 114.58 117.71 1b95 h GLU 211 Ca 0.21 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1b95 h GLU 211 Cb 0.06 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1b95 h GLU 211 CO -0.11 1.10 -0.14 0.35 -0.73 0.00 0.00 179.01 179.47 1b95 h PHE 212 N 0.82 -0.37 -0.53 0.92 3.57 -0.93 -1.40 116.94 119.02 1b95 h PHE 212 Ca 0.10 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1b95 h PHE 212 Cb 0.81 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1b95 h PHE 212 CO 0.06 -0.22 0.12 -0.07 -2.23 0.00 0.00 178.31 175.96 1b95 h LEU 213 N -0.33 0.76 -0.50 0.59 3.38 -1.30 -2.01 115.31 115.89 1b95 h LEU 213 Ca -0.01 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 1b95 h LEU 213 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1b95 h LEU 213 CO -0.01 0.75 -0.41 -0.78 0.09 0.00 0.00 178.44 178.08 1b95 h ASP 214 N 0.78 0.83 0.21 -0.43 3.58 -1.21 -0.95 116.42 119.23 1b95 h ASP 214 Ca 0.17 -0.38 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 1b95 h ASP 214 Cb 0.30 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1b95 h ASP 214 CO 0.00 1.13 -0.10 0.22 -2.88 0.00 0.00 179.24 177.61 1b95 h TYR 215 N 0.63 -0.27 0.00 0.28 5.03 -1.01 -2.77 116.97 118.86 1b95 h TYR 215 Ca 0.05 -0.01 -0.13 0.00 2.58 0.00 0.00 58.73 61.22 1b95 h TYR 215 Cb 0.97 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 39.32 1b95 h TYR 215 CO 0.05 -0.17 -0.62 -1.49 -1.32 0.00 0.00 178.16 174.62 1b95 h TRP 216 N -0.29 0.00 0.00 -3.82 4.06 -1.34 -2.03 115.95 112.53 1b95 h TRP 216 Ca -0.03 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 1b95 h TRP 216 Cb 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1b95 h TRP 216 CO -0.06 0.62 -0.09 0.00 -3.56 0.00 0.00 178.44 175.34 1b95 h ARG 217 N 0.00 0.00 -0.04 0.49 3.08 -1.12 -3.20 114.38 113.59 1b95 h ARG 217 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1b95 h ARG 217 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1b95 h ARG 217 CO 0.08 0.09 0.00 0.09 -1.07 0.00 0.00 179.97 179.16 1b95 n ASN 218 N -3.28 1.75 -4.70 7.04 3.02 -1.05 -5.01 115.26 113.03 1b95 n ASN 218 Ca -0.00 -1.62 -0.42 0.00 -0.03 0.00 0.00 54.58 52.51 1b95 n ASN 218 Cb 0.32 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 1b95 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b95 s TYR 219 N -0.65 2.91 0.45 3.10 5.04 -0.78 -4.99 117.35 122.42 1b95 s TYR 219 Ca 0.04 0.75 -0.15 0.00 -2.44 0.00 0.00 57.07 55.26 1b95 s TYR 219 Cb 0.02 -3.75 -0.08 0.00 0.35 0.00 0.00 41.96 38.51 1b95 s TYR 219 CO 0.03 -2.77 0.89 -1.21 -1.34 0.00 0.00 175.55 171.15 1b95 s GLU 220 N 1.94 3.94 0.32 4.97 0.41 -1.26 -5.00 118.70 124.03 1b95 s GLU 220 Ca 0.66 0.81 0.14 0.00 -0.41 0.00 0.00 54.97 56.17 1b95 s GLU 220 Cb -0.36 -2.25 0.52 0.00 -1.78 0.00 0.00 34.13 30.27 1b95 s GLU 220 CO 0.29 -0.12 1.68 0.00 -0.49 0.00 0.00 175.26 176.62 1b95 h ARG 221 N 1.30 0.00 -5.78 1.61 3.08 -1.95 -3.45 114.38 109.18 1b95 h ARG 221 Ca -0.47 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 58.98 1b95 h ARG 221 Cb 1.18 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.10 1b95 h ARG 221 CO 0.62 0.50 -0.66 0.95 -1.07 0.00 0.00 179.97 180.31 1b95 s THR 222 N -3.68 2.05 0.19 2.04 -4.23 -1.26 -5.03 115.64 105.72 1b95 s THR 222 Ca -0.01 -2.15 -0.12 0.00 -1.18 0.00 0.00 61.69 58.23 1b95 s THR 222 Cb 0.12 -2.69 0.10 0.00 1.34 0.00 0.00 72.50 71.37 1b95 s THR 222 CO 0.73 -0.17 1.83 0.28 -0.54 0.00 0.00 174.62 176.75 1b95 h SER 223 N 2.02 0.60 -0.43 3.99 0.02 -1.98 -1.04 113.55 116.73 1b95 h SER 223 Ca -0.42 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.58 1b95 h SER 223 Cb 1.25 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 1b95 h SER 223 CO 0.72 0.42 0.18 -0.61 -1.14 0.00 0.00 176.83 176.39 1b95 h GLN 224 N 0.72 0.35 -0.04 3.45 4.15 -1.99 0.14 115.11 121.89 1b95 h GLN 224 Ca 0.23 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.46 1b95 h GLN 224 Cb 0.01 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1b95 h GLN 224 CO -0.09 0.23 -0.74 -0.07 -1.93 0.00 0.00 178.83 176.23 1b95 h LEU 225 N 0.36 0.30 -0.71 -2.39 3.38 -1.91 -3.21 115.31 111.13 1b95 h LEU 225 Ca 0.19 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1b95 h LEU 225 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1b95 h LEU 225 CO -0.17 0.94 -0.61 0.03 0.09 0.00 0.00 178.44 178.72 1b95 h ARG 226 N 0.16 0.00 0.00 1.13 3.08 -0.72 -3.22 114.38 114.81 1b95 h ARG 226 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1b95 h ARG 226 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 1b95 h ARG 226 CO 0.12 0.61 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.69 1b95 h ASN 227 N 0.00 0.00 -0.57 7.04 2.35 -0.73 0.18 115.58 123.85 1b95 h ASN 227 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1b95 h ASN 227 Cb 1.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1b95 h ASN 227 CO 0.08 0.02 0.00 0.47 -1.65 0.00 0.00 177.43 176.35 1b95 n ASP 228 N -3.29 4.29 0.00 5.81 8.00 -1.21 -4.79 116.55 125.35 1b95 n ASP 228 Ca -0.02 -2.39 0.00 0.00 0.71 0.00 0.00 54.79 53.09 1b95 n ASP 228 Cb 0.15 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1b95 n ASP 228 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1b95 n LYS 229 N 0.90 0.00 -3.61 -1.24 4.81 -0.23 -5.07 118.16 113.72 1b95 n LYS 229 Ca 0.23 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.57 1b95 n LYS 229 Cb 0.79 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.77 1b95 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1b95 s TYR 230 N -0.03 -0.44 -0.09 5.64 -0.85 0.47 -4.73 117.35 117.32 1b95 s TYR 230 Ca 0.00 0.96 0.01 0.00 -0.52 0.00 0.00 57.07 57.52 1b95 s TYR 230 Cb 0.00 0.40 -0.00 0.00 0.38 0.00 0.00 41.96 42.73 1b95 s TYR 230 CO 0.00 -0.28 0.22 0.09 -1.52 0.00 0.00 175.55 174.06 1b95 n ASN 231 N 1.61 0.42 -3.45 -0.18 3.02 -1.26 -4.70 115.26 110.73 1b95 n ASN 231 Ca -0.12 -0.71 -0.09 0.00 -0.03 0.00 0.00 54.58 53.63 1b95 n ASN 231 Cb 0.57 0.65 -0.01 0.00 -0.61 0.00 0.00 39.78 40.37 1b95 n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1b95 s ASN 232 N -0.75 0.05 0.20 6.41 2.20 -1.26 -4.75 114.94 117.03 1b95 s ASN 232 Ca 0.01 -1.01 -0.10 0.00 -0.94 0.00 0.00 52.86 50.82 1b95 s ASN 232 Cb 0.01 0.74 0.13 0.00 -2.00 0.00 0.00 41.25 40.13 1b95 s ASN 232 CO 0.04 -1.42 1.82 -0.29 -2.94 0.00 0.00 177.10 174.30 1b95 h ILE 233 N 2.07 1.22 -0.26 0.54 6.09 -1.98 -0.22 117.51 124.97 1b95 h ILE 233 Ca -0.27 -0.54 -0.00 0.00 -1.37 0.00 0.00 64.86 62.68 1b95 h ILE 233 Cb 1.25 0.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 1b95 h ILE 233 CO 0.34 0.24 0.16 0.28 -3.07 0.00 0.00 178.15 176.11 1b95 h SER 234 N 0.99 0.31 -0.66 2.19 0.02 -1.99 -0.93 113.55 113.48 1b95 h SER 234 Ca 0.25 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1b95 h SER 234 Cb 0.03 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1b95 h SER 234 CO -0.04 0.26 0.24 -0.33 -1.14 0.00 0.00 176.83 175.81 1b95 h GLU 235 N 0.34 1.03 -0.68 3.45 5.08 -1.87 -1.87 114.58 120.05 1b95 h GLU 235 Ca 0.09 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1b95 h GLU 235 Cb 0.00 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1b95 h GLU 235 CO -0.02 0.86 0.45 -0.92 -1.00 0.00 0.00 179.01 178.38 1b95 h TYR 236 N 1.00 0.85 -0.15 4.33 3.20 -0.42 0.85 116.97 126.63 1b95 h TYR 236 Ca 0.23 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.02 1b95 h TYR 236 Cb 0.25 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1b95 h TYR 236 CO 0.02 0.53 -0.33 0.00 -1.64 0.00 0.00 178.16 176.73 1b95 h ARG 237 N 0.91 0.31 -0.55 1.82 3.08 -0.73 -0.84 114.38 118.39 1b95 h ARG 237 Ca 0.25 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 1b95 h ARG 237 Cb -0.09 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1b95 h ARG 237 CO -0.06 0.61 0.06 -0.97 -1.07 0.00 0.00 179.97 178.54 1b95 h ASN 238 N 0.27 0.89 -0.94 7.04 -0.73 -0.93 -2.07 115.58 119.12 1b95 h ASN 238 Ca 0.03 -0.28 0.05 0.00 1.87 0.00 0.00 56.30 57.98 1b95 h ASN 238 Cb 0.72 -0.24 -0.06 0.00 0.27 0.00 0.00 38.32 39.02 1b95 h ASN 238 CO 0.05 0.94 0.61 -0.25 -0.37 0.00 0.00 177.43 178.42 1b95 h TRP 239 N 0.81 1.13 -0.20 0.67 7.01 -0.29 0.80 115.95 125.87 1b95 h TRP 239 Ca 0.16 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 1b95 h TRP 239 Cb 0.45 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 1b95 h TRP 239 CO 0.03 0.63 0.03 0.82 -2.79 0.00 0.00 178.44 177.16 1b95 h ILE 240 N 1.14 1.23 -0.80 2.65 1.08 -0.90 0.53 117.51 122.45 1b95 h ILE 240 Ca 0.39 -0.77 0.03 0.00 -0.39 0.00 0.00 64.86 64.12 1b95 h ILE 240 Cb 0.08 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.13 1b95 h ILE 240 CO -0.13 0.24 0.51 0.22 -0.69 0.00 0.00 178.15 178.29 1b95 h TYR 241 N 0.13 0.95 0.00 1.37 3.20 -0.55 -0.62 116.97 121.44 1b95 h TYR 241 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1b95 h TYR 241 Cb 0.33 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1b95 h TYR 241 CO 0.02 0.54 0.00 0.00 -1.64 0.00 0.00 178.16 177.08 1b95 h ARG 242 N 0.98 0.00 0.00 1.82 3.08 -0.79 -3.45 114.38 116.03 1b95 h ARG 242 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1b95 h ARG 242 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1b95 h ARG 242 CO -0.12 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.19 1b95 n GLY 243 N -0.83 1.82 3.08 0.04 0.00 -0.24 -4.56 105.19 104.50 1b95 n GLY 243 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1b95 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b95 n ARG 244 N -0.87 -3.84 0.00 1.61 1.74 0.16 -5.02 116.66 110.45 1b95 n ARG 244 Ca 0.00 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1b95 n ARG 244 Cb 0.00 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.06 1b95 n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47