#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b94 h LEU 3 N 0.00 -0.31 0.22 1.04 5.85 -1.98 -1.34 115.31 118.78 1b94 h LEU 3 Ca 0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1b94 h LEU 3 Cb 0.00 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1b94 h LEU 3 CO 0.00 -0.18 -0.43 -0.09 -0.34 0.00 0.00 178.44 177.40 1b94 h ARG 4 N -0.43 -0.70 -0.58 1.25 2.43 -1.99 0.40 114.38 114.76 1b94 h ARG 4 Ca -0.04 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1b94 h ARG 4 Cb 0.32 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1b94 h ARG 4 CO 0.06 -0.47 0.30 0.66 -1.51 0.00 0.00 179.97 179.02 1b94 h SER 5 N -0.73 0.44 -0.74 -3.80 4.64 -1.99 -1.07 113.55 110.31 1b94 h SER 5 Ca -0.00 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1b94 h SER 5 Cb 0.72 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 1b94 h SER 5 CO -0.19 0.29 0.30 0.44 -0.87 0.00 0.00 176.83 176.80 1b94 h ASP 6 N 0.58 1.02 0.26 4.97 3.32 -0.93 -1.81 116.42 123.84 1b94 h ASP 6 Ca 0.26 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1b94 h ASP 6 Cb 0.16 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1b94 h ASP 6 CO -0.17 0.91 -0.13 0.25 -1.72 0.00 0.00 179.24 178.38 1b94 h LEU 7 N 1.09 -0.30 -1.21 1.55 5.85 0.45 -2.04 115.31 120.69 1b94 h LEU 7 Ca 0.25 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1b94 h LEU 7 Cb 0.21 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1b94 h LEU 7 CO -0.02 -0.08 -0.24 -0.29 -0.34 0.00 0.00 178.44 177.47 1b94 h ILE 8 N -0.51 1.23 -0.42 4.05 6.09 -1.13 -0.54 117.51 126.28 1b94 h ILE 8 Ca -0.04 -1.09 -0.03 0.00 -1.37 0.00 0.00 64.86 62.33 1b94 h ILE 8 Cb 0.38 1.41 -0.02 0.00 0.47 0.00 0.00 36.82 39.06 1b94 h ILE 8 CO 0.06 0.33 0.13 0.78 -3.07 0.00 0.00 178.15 176.38 1b94 h ASN 9 N 0.21 0.62 -0.39 2.19 2.35 -1.27 0.37 115.58 119.66 1b94 h ASN 9 Ca 0.04 -0.21 -0.09 0.00 -0.55 0.00 0.00 56.30 55.48 1b94 h ASN 9 Cb 0.55 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1b94 h ASN 9 CO 0.04 0.66 -0.11 0.00 -1.65 0.00 0.00 177.43 176.37 1b94 h ALA 10 N 0.98 0.53 -0.12 -0.83 0.00 -1.01 -0.40 119.26 118.41 1b94 h ALA 10 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1b94 h ALA 10 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1b94 h ALA 10 CO -0.00 0.41 0.08 -0.07 0.00 0.00 0.00 179.25 179.67 1b94 h LEU 11 N 0.56 0.14 -0.48 0.00 3.38 -0.96 -1.00 115.31 116.95 1b94 h LEU 11 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1b94 h LEU 11 Cb 0.64 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1b94 h LEU 11 CO 0.04 0.10 0.31 0.22 0.09 0.00 0.00 178.44 179.21 1b94 h TYR 12 N 0.16 0.62 0.10 1.13 5.03 -0.83 -1.85 116.97 121.32 1b94 h TYR 12 Ca 0.04 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.37 1b94 h TYR 12 Cb -0.02 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.04 1b94 h TYR 12 CO -0.07 0.40 -0.11 0.22 -1.32 0.00 0.00 178.16 177.28 1b94 h ASP 13 N 0.65 -0.30 -0.85 -2.11 3.58 -0.85 -2.60 116.42 113.94 1b94 h ASP 13 Ca 0.18 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.71 1b94 h ASP 13 Cb -0.06 0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.04 1b94 h ASP 13 CO -0.04 -0.17 0.53 -0.08 -2.88 0.00 0.00 179.24 176.61 1b94 h GLU 14 N -0.24 0.97 0.36 0.28 4.57 -0.99 -1.42 114.58 118.10 1b94 h GLU 14 Ca 0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1b94 h GLU 14 Cb 0.24 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1b94 h GLU 14 CO -0.04 0.64 -0.36 -0.97 -1.18 0.00 0.00 179.01 177.10 1b94 h ASN 15 N 1.00 -0.97 -0.85 1.04 -1.24 -1.30 -1.96 115.58 111.29 1b94 h ASN 15 Ca 0.36 0.08 0.16 0.00 0.71 0.00 0.00 56.30 57.61 1b94 h ASN 15 Cb 0.12 0.33 -0.06 0.00 0.73 0.00 0.00 38.32 39.43 1b94 h ASN 15 CO -0.16 -0.50 0.56 1.56 -1.29 0.00 0.00 177.43 177.60 1b94 h GLN 16 N -0.74 0.53 0.00 6.67 4.20 -1.10 -3.12 115.11 121.55 1b94 h GLN 16 Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1b94 h GLN 16 Cb 0.67 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1b94 h GLN 16 CO -0.06 0.35 -1.19 1.63 -0.67 0.00 0.00 178.83 178.89 1b94 n LYS 17 N -4.53 0.32 -4.24 1.46 5.02 -0.57 -4.97 118.16 110.65 1b94 n LYS 17 Ca 0.17 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.25 1b94 n LYS 17 Cb 0.54 -1.57 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 1b94 n LYS 17 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1b94 s TYR 18 N -3.23 1.04 -0.20 2.13 2.02 -0.77 -5.08 117.35 113.26 1b94 s TYR 18 Ca 0.02 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1b94 s TYR 18 Cb 0.14 -0.61 0.05 0.00 -0.40 0.00 0.00 41.96 41.15 1b94 s TYR 18 CO 0.83 0.01 -0.02 -0.51 -1.57 0.00 0.00 175.55 174.29 1b94 s ASP 19 N -1.26 3.18 0.35 2.29 1.01 -1.26 -4.72 116.67 116.25 1b94 s ASP 19 Ca -0.02 -0.88 -0.29 0.00 0.71 0.00 0.00 52.55 52.08 1b94 s ASP 19 Cb -0.08 -0.89 -0.11 0.00 1.01 0.00 0.00 42.92 42.85 1b94 s ASP 19 CO 0.01 -0.24 1.40 -0.69 0.21 0.00 0.00 175.17 175.86 1b94 s VAL 20 N 1.63 2.39 0.00 -1.27 1.01 -1.26 -4.92 120.40 117.98 1b94 s VAL 20 Ca -0.02 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1b94 s VAL 20 Cb -0.17 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1b94 s VAL 20 CO -0.07 0.09 0.11 0.00 0.00 0.00 0.00 175.10 175.23 1b94 n GLY 22 N 0.00 1.14 3.80 0.00 0.00 -1.26 -4.08 105.19 104.79 1b94 n GLY 22 Ca 0.00 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1b94 n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b94 s ILE 23 N -2.00 5.28 0.06 -0.61 -4.36 0.32 -4.89 121.20 115.00 1b94 s ILE 23 Ca 0.00 0.53 0.07 0.00 -0.26 0.00 0.00 60.65 60.99 1b94 s ILE 23 Cb 0.00 -3.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.09 1b94 s ILE 23 CO 0.00 0.51 -0.16 -0.51 0.24 0.00 0.00 174.94 175.03 1b94 s ILE 24 N -0.42 2.98 0.53 8.37 2.07 -1.26 -0.67 121.20 132.80 1b94 s ILE 24 Ca 0.18 -1.20 0.04 0.00 -1.41 0.00 0.00 60.65 58.25 1b94 s ILE 24 Cb -0.14 -2.30 0.04 0.00 0.13 0.00 0.00 42.46 40.19 1b94 s ILE 24 CO 0.07 0.27 0.73 -0.94 -1.91 0.00 0.00 174.94 173.16 1b94 s SER 25 N -1.66 5.30 0.38 4.50 1.04 -0.64 -4.98 113.70 117.65 1b94 s SER 25 Ca 0.16 -0.22 0.19 0.00 0.48 0.00 0.00 55.95 56.56 1b94 s SER 25 Cb -0.11 -0.66 0.73 0.00 0.10 0.00 0.00 66.02 66.09 1b94 s SER 25 CO 0.07 -1.10 1.76 0.00 0.98 0.00 0.00 173.24 174.96 1b94 h ALA 26 N 0.20 1.05 0.00 5.32 0.00 -2.01 -1.18 119.26 122.64 1b94 h ALA 26 Ca -0.40 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1b94 h ALA 26 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1b94 h ALA 26 CO 0.48 0.45 0.00 0.39 0.00 0.00 0.00 179.25 180.58 1b94 n GLU 27 N -3.60 0.11 -0.10 0.00 4.71 -1.26 -4.92 120.64 115.58 1b94 n GLU 27 Ca -0.01 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1b94 n GLU 27 Cb 0.48 -1.67 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 1b94 n GLU 27 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b94 n GLY 28 N 0.58 0.78 3.77 0.62 0.00 -0.45 -5.08 105.19 105.41 1b94 n GLY 28 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1b94 n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b94 s LYS 29 N -0.90 4.43 -0.12 1.61 2.20 -1.26 -4.14 119.74 121.56 1b94 s LYS 29 Ca 0.00 0.97 -0.01 0.00 -0.36 0.00 0.00 55.97 56.57 1b94 s LYS 29 Cb 0.00 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1b94 s LYS 29 CO 0.00 0.47 -0.09 0.42 -0.36 0.00 0.00 175.35 175.79 1b94 s ILE 30 N -0.67 3.45 -0.20 5.43 1.01 0.25 -1.62 121.20 128.85 1b94 s ILE 30 Ca 0.34 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 1b94 s ILE 30 Cb -0.21 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 1b94 s ILE 30 CO 0.22 0.53 0.00 -0.31 0.00 0.00 0.00 174.94 175.39 1b94 s TYR 31 N 0.11 3.05 0.89 3.97 1.51 0.16 -1.01 117.35 126.02 1b94 s TYR 31 Ca -0.04 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 55.49 1b94 s TYR 31 Cb -0.14 -2.09 0.13 0.00 -0.11 0.00 0.00 41.96 39.75 1b94 s TYR 31 CO 0.04 -0.22 1.13 -2.14 -1.11 0.00 0.00 175.55 173.25 1b94 s PRO 32 N 0.98 1.26 0.33 -1.71 0.02 -1.26 -0.53 135.00 134.08 1b94 s PRO 32 Ca 0.02 1.43 -0.09 0.00 0.02 0.00 0.00 61.00 62.37 1b94 s PRO 32 Cb -0.14 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 1b94 s PRO 32 CO 0.02 -2.43 0.66 -0.51 -0.33 0.00 0.00 177.00 174.41 1b94 s LEU 33 N -6.46 3.99 0.62 -5.54 1.43 -1.26 -4.78 118.68 106.69 1b94 s LEU 33 Ca 0.65 0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 54.69 1b94 s LEU 33 Cb -0.21 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.22 1b94 s LEU 33 CO 0.58 -0.26 0.91 -0.83 0.23 0.00 0.00 176.35 176.98 1b94 s GLY 34 N -2.91 1.67 0.00 -3.19 0.00 -1.26 -4.66 107.32 96.97 1b94 s GLY 34 Ca 0.49 -0.92 0.19 0.00 0.00 0.00 0.00 44.72 44.48 1b94 s GLY 34 CO 0.27 -0.60 1.09 -1.14 0.00 0.00 0.00 173.10 172.72 1b94 n SER 35 N -2.64 2.47 -4.92 1.64 3.41 -1.26 -4.72 113.62 107.60 1b94 n SER 35 Ca 0.06 -1.74 -0.27 0.00 -0.26 0.00 0.00 58.87 56.67 1b94 n SER 35 Cb 0.59 0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.69 1b94 n SER 35 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1b94 s ASP 36 N -1.74 5.20 0.38 4.04 -4.77 -1.26 -4.81 116.67 113.71 1b94 s ASP 36 Ca 0.21 0.63 0.16 0.00 -3.30 0.00 0.00 52.55 50.25 1b94 s ASP 36 Cb 0.16 -1.44 0.75 0.00 -1.09 0.00 0.00 42.92 41.30 1b94 s ASP 36 CO 0.29 -1.35 1.80 0.74 0.70 0.00 0.00 175.17 177.36 1b94 h THR 37 N -0.42 1.12 -0.90 2.11 2.02 -1.98 -2.17 112.91 112.69 1b94 h THR 37 Ca -0.45 -1.37 0.06 0.00 0.77 0.00 0.00 66.41 65.42 1b94 h THR 37 Cb 1.28 1.77 -0.06 0.00 -1.74 0.00 0.00 68.15 69.40 1b94 h THR 37 CO 0.61 0.37 0.57 0.50 0.37 0.00 0.00 175.52 177.94 1b94 h LYS 38 N 0.00 1.01 -0.05 6.66 3.64 -1.99 0.74 116.57 126.58 1b94 h LYS 38 Ca -0.00 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1b94 h LYS 38 Cb 0.74 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1b94 h LYS 38 CO 0.05 0.67 -0.12 0.28 -2.27 0.00 0.00 179.45 178.06 1b94 h VAL 39 N 1.04 1.44 -0.21 2.00 2.07 -1.83 -3.18 116.25 117.58 1b94 h VAL 39 Ca 0.39 -1.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.31 1b94 h VAL 39 Cb 0.16 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1b94 h VAL 39 CO -0.17 0.41 -0.38 -0.07 0.02 0.00 0.00 177.57 177.38 1b94 h LEU 40 N -0.37 0.50 -0.36 2.57 3.38 -0.73 -1.55 115.31 118.75 1b94 h LEU 40 Ca -0.00 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.82 1b94 h LEU 40 Cb 0.72 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 1b94 h LEU 40 CO 0.03 0.83 0.01 -1.28 0.09 0.00 0.00 178.44 178.12 1b94 h SER 41 N 0.40 -0.11 -0.04 -0.43 0.87 0.36 0.17 113.55 114.76 1b94 h SER 41 Ca 0.04 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1b94 h SER 41 Cb 0.84 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1b94 h SER 41 CO 0.07 -0.02 0.03 0.74 -0.53 0.00 0.00 176.83 177.11 1b94 h THR 42 N 0.12 1.05 -0.42 2.23 2.02 -1.45 -2.16 112.91 114.30 1b94 h THR 42 Ca 0.17 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1b94 h THR 42 Cb 0.23 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1b94 h THR 42 CO -0.28 0.04 0.24 0.40 0.37 0.00 0.00 175.52 176.30 1b94 h ILE 43 N 0.01 1.14 -0.45 3.11 1.08 -0.77 -2.12 117.51 119.52 1b94 h ILE 43 Ca 0.02 -0.35 -0.05 0.00 -0.39 0.00 0.00 64.86 64.09 1b94 h ILE 43 Cb 0.04 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1b94 h ILE 43 CO -0.00 0.15 0.07 -0.26 -0.69 0.00 0.00 178.15 177.42 1b94 h PHE 44 N 0.55 0.72 0.08 1.37 0.04 -0.62 -0.47 116.94 118.61 1b94 h PHE 44 Ca 0.15 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1b94 h PHE 44 Cb 0.02 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1b94 h PHE 44 CO -0.03 0.64 -0.04 0.93 -0.60 0.00 0.00 178.31 179.22 1b94 h GLU 45 N 0.67 -0.10 -0.56 1.51 4.39 -1.10 -2.64 114.58 116.75 1b94 h GLU 45 Ca 0.15 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1b94 h GLU 45 Cb 0.31 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1b94 h GLU 45 CO 0.00 -0.06 0.28 -0.07 -1.16 0.00 0.00 179.01 178.00 1b94 h LEU 46 N -0.11 0.69 -0.94 1.33 3.38 -0.99 -2.08 115.31 116.60 1b94 h LEU 46 Ca -0.01 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1b94 h LEU 46 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1b94 h LEU 46 CO 0.02 0.58 0.03 0.15 0.09 0.00 0.00 178.44 179.31 1b94 h PHE 47 N 0.78 0.85 0.00 1.13 3.57 -1.09 -3.19 116.94 118.99 1b94 h PHE 47 Ca 0.20 -0.11 -0.17 0.00 3.53 0.00 0.00 57.97 61.41 1b94 h PHE 47 Cb 0.06 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1b94 h PHE 47 CO 0.01 0.77 -0.86 0.77 -2.23 0.00 0.00 178.31 176.77 1b94 h SER 48 N 0.76 0.00 -0.39 0.41 0.02 -1.13 -3.40 113.55 109.82 1b94 h SER 48 Ca 0.15 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1b94 h SER 48 Cb 0.41 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.86 1b94 h SER 48 CO 0.01 0.81 -0.43 0.03 -1.14 0.00 0.00 176.83 176.12 1b94 h ARG 49 N 0.00 -0.32 -0.32 3.45 3.08 -1.37 -0.73 114.38 118.17 1b94 h ARG 49 Ca -0.02 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1b94 h ARG 49 Cb 1.64 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.74 1b94 h ARG 49 CO 0.10 -0.22 0.09 -1.00 -1.07 0.00 0.00 179.97 177.88 1b94 h PRO 50 N -0.33 0.45 0.06 0.04 0.13 -1.77 -2.53 132.00 128.05 1b94 h PRO 50 Ca 0.13 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1b94 h PRO 50 Cb 0.58 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1b94 h PRO 50 CO -0.56 0.41 -0.03 0.82 -0.23 0.00 0.00 178.00 178.41 1b94 h ILE 51 N 0.45 1.18 -0.41 -3.56 2.04 -1.62 -1.48 117.51 114.12 1b94 h ILE 51 Ca 0.11 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.17 1b94 h ILE 51 Cb 0.15 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 1b94 h ILE 51 CO -0.01 0.22 -0.03 0.40 0.00 0.00 0.00 178.15 178.73 1b94 h ILE 52 N -0.48 0.66 -0.57 -0.67 2.04 -1.15 -1.61 117.51 115.73 1b94 h ILE 52 Ca -0.01 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1b94 h ILE 52 Cb 0.42 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1b94 h ILE 52 CO 0.01 0.01 0.23 -1.13 0.00 0.00 0.00 178.15 177.28 1b94 h ASN 53 N 0.08 0.78 0.01 1.72 -1.24 -1.46 -1.05 115.58 114.42 1b94 h ASN 53 Ca 0.20 -0.17 0.01 0.00 0.71 0.00 0.00 56.30 57.06 1b94 h ASN 53 Cb 0.29 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 1b94 h ASN 53 CO -0.36 0.74 -0.09 0.50 -1.29 0.00 0.00 177.43 176.93 1b94 h LYS 54 N 0.78 -0.15 -0.52 6.67 3.64 -0.77 -1.71 116.57 124.51 1b94 h LYS 54 Ca 0.19 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1b94 h LYS 54 Cb 0.20 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1b94 h LYS 54 CO -0.02 -0.10 -0.03 0.82 -2.27 0.00 0.00 179.45 177.86 1b94 h ILE 55 N -0.15 1.26 -0.50 2.00 1.08 -1.21 -2.75 117.51 117.23 1b94 h ILE 55 Ca 0.03 -1.11 -0.03 0.00 -0.39 0.00 0.00 64.86 63.36 1b94 h ILE 55 Cb 0.19 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1b94 h ILE 55 CO -0.08 0.39 0.20 0.00 -0.69 0.00 0.00 178.15 177.97 1b94 h ALA 56 N 1.13 0.65 -0.34 1.87 0.00 -1.14 -2.74 119.26 118.69 1b94 h ALA 56 Ca 0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1b94 h ALA 56 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1b94 h ALA 56 CO 0.03 0.26 -0.02 1.49 0.00 0.00 0.00 179.25 181.01 1b94 h GLU 57 N 0.67 0.53 0.00 0.00 4.81 -1.17 0.43 114.58 119.85 1b94 h GLU 57 Ca 0.17 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1b94 h GLU 57 Cb 0.20 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1b94 h GLU 57 CO -0.01 0.58 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.58 1b94 h LYS 58 N 0.51 0.00 -0.47 1.92 3.64 -1.20 -0.77 116.57 120.21 1b94 h LYS 58 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1b94 h LYS 58 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1b94 h LYS 58 CO 0.01 0.04 0.00 0.72 -2.27 0.00 0.00 179.45 177.96 1b94 n HIS 59 N -3.15 0.61 -2.17 1.91 8.25 -0.98 -4.95 115.22 114.73 1b94 n HIS 59 Ca 0.01 -0.30 -0.12 0.00 -0.26 0.00 0.00 57.72 57.04 1b94 n HIS 59 Cb 0.34 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.45 1b94 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b94 n GLY 60 N 1.50 -0.03 3.88 -1.41 0.00 -0.29 -5.02 105.19 103.81 1b94 n GLY 60 Ca 0.20 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1b94 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b94 s TYR 61 N -2.59 3.59 0.25 1.61 2.02 0.11 -4.61 117.35 117.73 1b94 s TYR 61 Ca 0.00 0.57 -0.25 0.00 -0.37 0.00 0.00 57.07 57.02 1b94 s TYR 61 Cb 0.00 -1.98 -0.09 0.00 -0.40 0.00 0.00 41.96 39.49 1b94 s TYR 61 CO 0.00 0.65 0.84 0.42 -1.57 0.00 0.00 175.55 175.89 1b94 s ILE 62 N -1.22 4.32 -0.17 2.71 1.01 0.23 -3.95 121.20 124.13 1b94 s ILE 62 Ca 0.24 1.69 -0.02 0.00 0.00 0.00 0.00 60.65 62.56 1b94 s ILE 62 Cb -0.13 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 1b94 s ILE 62 CO 0.13 0.31 -0.08 -0.69 0.00 0.00 0.00 174.94 174.61 1b94 s VAL 63 N -1.41 3.26 -0.06 2.92 1.01 -1.26 -2.13 120.40 122.72 1b94 s VAL 63 Ca 0.43 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1b94 s VAL 63 Cb -0.20 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1b94 s VAL 63 CO 0.25 0.48 -0.18 -1.61 0.00 0.00 0.00 175.10 174.03 1b94 s GLU 64 N 0.88 2.13 0.22 2.72 2.02 -0.05 -4.97 118.70 121.66 1b94 s GLU 64 Ca -0.02 -0.65 0.06 0.00 0.02 0.00 0.00 54.97 54.38 1b94 s GLU 64 Cb -0.15 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1b94 s GLU 64 CO 0.01 0.19 0.20 -1.21 0.02 0.00 0.00 175.26 174.47 1b94 s GLU 65 N 0.25 3.00 0.53 1.61 2.02 -1.26 -1.01 118.70 123.83 1b94 s GLU 65 Ca -0.10 -0.95 -0.22 0.00 0.02 0.00 0.00 54.97 53.73 1b94 s GLU 65 Cb -0.14 -2.64 -0.06 0.00 0.10 0.00 0.00 34.13 31.38 1b94 s GLU 65 CO 0.04 0.43 1.16 -2.30 0.02 0.00 0.00 175.26 174.62 1b94 n PRO 66 N -0.94 1.40 -0.02 0.39 -0.02 -1.26 -4.92 135.00 129.63 1b94 n PRO 66 Ca -0.08 0.52 -0.04 0.00 -2.02 0.00 0.00 63.50 61.88 1b94 n PRO 66 Cb 0.57 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.59 1b94 n PRO 66 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1b94 n LYS 67 N -0.69 0.65 -4.49 -0.52 5.02 -1.26 -4.93 118.16 111.94 1b94 n LYS 67 Ca 0.11 0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 56.24 1b94 n LYS 67 Cb 0.44 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.63 1b94 n LYS 67 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1b94 s GLN 68 N -2.78 1.67 0.72 1.97 -0.21 -1.26 -5.13 119.66 114.63 1b94 s GLN 68 Ca -0.06 -1.21 -0.12 0.00 0.02 0.00 0.00 55.36 53.99 1b94 s GLN 68 Cb 0.08 -2.01 0.03 0.00 1.00 0.00 0.00 33.01 32.11 1b94 s GLN 68 CO 0.83 0.48 1.09 -0.65 -2.12 0.00 0.00 175.29 174.92 1b94 s GLN 69 N -1.86 2.59 0.00 2.91 -0.21 -1.26 -3.58 119.66 118.25 1b94 s GLN 69 Ca 0.15 1.19 0.00 0.00 0.02 0.00 0.00 55.36 56.72 1b94 s GLN 69 Cb -0.10 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.97 1b94 s GLN 69 CO 0.06 -1.39 0.00 0.09 -2.12 0.00 0.00 175.29 171.93 1b94 n ASN 70 N -3.07 -2.70 -4.29 5.90 4.13 -1.26 -5.05 115.26 108.92 1b94 n ASN 70 Ca 0.09 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.06 1b94 n ASN 70 Cb 0.53 -0.45 -0.15 0.00 -1.54 0.00 0.00 39.78 38.17 1b94 n ASN 70 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1b94 s HIS 71 N -2.00 2.14 0.11 3.10 3.76 -1.23 -4.78 115.29 116.39 1b94 s HIS 71 Ca 0.00 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.49 1b94 s HIS 71 Cb 0.00 -1.34 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 1b94 s HIS 71 CO 0.00 0.02 0.30 -0.47 -0.85 0.00 0.00 174.74 173.74 1b94 s TYR 72 N -0.65 3.50 0.55 1.40 6.14 0.27 -4.65 117.35 123.91 1b94 s TYR 72 Ca 0.10 0.37 0.08 0.00 0.64 0.00 0.00 57.07 58.26 1b94 s TYR 72 Cb -0.09 -1.86 0.06 0.00 0.42 0.00 0.00 41.96 40.49 1b94 s TYR 72 CO 0.00 0.50 0.61 -1.25 0.64 0.00 0.00 175.55 176.06 1b94 s PRO 73 N -2.68 2.30 0.20 4.97 0.04 -1.26 -0.76 135.00 137.81 1b94 s PRO 73 Ca 0.38 -1.79 -0.10 0.00 0.04 0.00 0.00 61.00 59.53 1b94 s PRO 73 Cb -0.12 -2.42 0.21 0.00 0.04 0.00 0.00 34.50 32.21 1b94 s PRO 73 CO 0.27 -0.73 1.80 -0.44 0.04 0.00 0.00 177.00 177.94 1b94 h ASP 74 N 0.45 0.48 -3.46 6.66 3.32 -1.79 -3.40 116.42 118.69 1b94 h ASP 74 Ca -0.33 0.03 -0.39 0.00 0.02 0.00 0.00 57.03 56.36 1b94 h ASP 74 Cb 1.29 -0.06 -0.34 0.00 0.22 0.00 0.00 39.33 40.44 1b94 h ASP 74 CO 0.48 0.32 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.20 1b94 s PHE 75 N -6.11 0.60 -0.27 4.55 0.08 0.00 -4.35 117.98 112.49 1b94 s PHE 75 Ca -0.13 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.75 1b94 s PHE 75 Cb 0.15 -0.59 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 1b94 s PHE 75 CO 0.75 -0.18 -0.00 0.99 -0.10 0.00 0.00 175.22 176.68 1b94 s THR 76 N 1.02 3.30 -0.09 0.64 2.01 -0.18 0.13 115.64 122.46 1b94 s THR 76 Ca -0.10 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 60.93 1b94 s THR 76 Cb -0.14 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1b94 s THR 76 CO -0.01 0.12 0.02 -0.76 -0.69 0.00 0.00 174.62 173.30 1b94 s LEU 77 N 1.38 3.69 -0.12 4.42 1.02 0.92 -0.87 118.68 129.12 1b94 s LEU 77 Ca 0.00 0.19 -0.31 0.00 0.02 0.00 0.00 54.13 54.03 1b94 s LEU 77 Cb -0.17 -1.86 0.13 0.00 0.02 0.00 0.00 46.19 44.30 1b94 s LEU 77 CO -0.01 0.38 1.06 -0.72 0.02 0.00 0.00 176.35 177.07 1b94 s TYR 78 N -0.91 -0.25 -0.06 0.29 1.13 -0.91 -0.80 117.35 115.84 1b94 s TYR 78 Ca 0.14 0.24 -0.08 0.00 -1.41 0.00 0.00 57.07 55.96 1b94 s TYR 78 Cb -0.11 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 1b94 s TYR 78 CO 0.03 -0.34 0.21 0.15 -2.51 0.00 0.00 175.55 173.09 1b94 s LYS 79 N -2.30 3.54 0.47 -3.49 1.02 -1.26 0.75 119.74 118.47 1b94 s LYS 79 Ca 0.05 -0.05 0.14 0.00 0.02 0.00 0.00 55.97 56.13 1b94 s LYS 79 Cb -0.01 -3.16 1.11 0.00 -0.52 0.00 0.00 37.83 35.25 1b94 s LYS 79 CO -0.05 0.73 2.05 -1.35 -0.92 0.00 0.00 175.35 175.81 1b94 h PRO 80 N 4.61 0.26 0.00 -1.68 0.11 -2.00 -1.06 132.00 132.23 1b94 h PRO 80 Ca -0.53 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1b94 h PRO 80 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1b94 h PRO 80 CO 0.61 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.44 1b94 n SER 81 N -4.48 0.06 -3.23 -2.05 3.41 -1.26 -4.27 113.62 101.80 1b94 n SER 81 Ca 0.04 0.51 -0.24 0.00 -0.26 0.00 0.00 58.87 58.92 1b94 n SER 81 Cb 0.24 -0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1b94 n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b94 n GLU 82 N -1.55 1.20 0.25 4.33 1.02 -0.40 -4.97 120.64 120.51 1b94 n GLU 82 Ca 0.07 -3.59 0.13 0.00 -0.02 0.00 0.00 57.16 53.74 1b94 n GLU 82 Cb 0.34 -1.52 0.58 0.00 -0.02 0.00 0.00 31.44 30.83 1b94 n GLU 82 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1b94 h PRO 83 N 3.88 0.00 -0.62 3.49 0.13 -1.74 -1.87 132.00 135.27 1b94 h PRO 83 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1b94 h PRO 83 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1b94 h PRO 83 CO 0.55 0.14 0.00 0.09 -0.23 0.00 0.00 178.00 178.56 1b94 n ASN 84 N -3.34 5.31 -2.46 1.44 4.13 -1.26 -4.25 115.26 114.83 1b94 n ASN 84 Ca -0.00 -2.71 -0.24 0.00 1.68 0.00 0.00 54.58 53.31 1b94 n ASN 84 Cb 0.36 -0.64 0.01 0.00 -1.54 0.00 0.00 39.78 37.96 1b94 n ASN 84 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1b94 n LYS 85 N 0.87 3.16 -2.22 3.52 5.02 -0.70 -4.46 118.16 123.35 1b94 n LYS 85 Ca 0.27 -4.31 -0.34 0.00 -2.02 0.00 0.00 58.31 51.91 1b94 n LYS 85 Cb 1.06 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1b94 n LYS 85 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1b94 s LYS 86 N -3.50 3.36 -0.17 1.97 1.02 -0.02 -4.70 119.74 117.70 1b94 s LYS 86 Ca 0.46 1.48 -0.00 0.00 0.02 0.00 0.00 55.97 57.92 1b94 s LYS 86 Cb 0.41 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 1b94 s LYS 86 CO -0.14 -0.82 -0.15 0.42 -0.92 0.00 0.00 175.35 173.75 1b94 s ILE 87 N -1.98 2.59 -0.12 2.17 1.01 0.02 -1.03 121.20 123.87 1b94 s ILE 87 Ca 0.70 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 1b94 s ILE 87 Cb -0.21 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 1b94 s ILE 87 CO 0.29 0.51 0.22 0.00 0.00 0.00 0.00 174.94 175.96 1b94 s ALA 88 N 1.07 3.76 -0.07 9.38 0.00 -0.29 -0.06 121.76 135.55 1b94 s ALA 88 Ca -0.01 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1b94 s ALA 88 Cb -0.14 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.83 1b94 s ALA 88 CO -0.04 0.42 -0.07 0.42 0.00 0.00 0.00 175.76 176.48 1b94 s ILE 89 N -0.53 0.83 -0.03 0.00 1.01 0.12 -0.01 121.20 122.59 1b94 s ILE 89 Ca 0.16 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1b94 s ILE 89 Cb -0.13 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1b94 s ILE 89 CO 0.05 0.30 -0.20 -0.62 0.00 0.00 0.00 174.94 174.47 1b94 s ASP 90 N 1.12 2.43 -0.27 3.58 2.15 -0.58 -0.82 116.67 124.29 1b94 s ASP 90 Ca -0.07 -0.39 -0.11 0.00 0.43 0.00 0.00 52.55 52.41 1b94 s ASP 90 Cb -0.14 -0.47 -0.05 0.00 -0.30 0.00 0.00 42.92 41.96 1b94 s ASP 90 CO -0.01 0.22 0.20 -0.63 -0.17 0.00 0.00 175.17 174.78 1b94 s ILE 91 N -0.26 5.31 0.02 4.11 1.01 -1.26 -0.84 121.20 129.29 1b94 s ILE 91 Ca 0.02 0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.95 1b94 s ILE 91 Cb -0.10 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1b94 s ILE 91 CO 0.01 0.26 -0.19 -0.54 0.00 0.00 0.00 174.94 174.49 1b94 s LYS 92 N 1.62 2.12 0.05 2.79 -0.14 0.04 -4.97 119.74 121.24 1b94 s LYS 92 Ca 0.08 -0.94 0.05 0.00 -1.36 0.00 0.00 55.97 53.79 1b94 s LYS 92 Cb -0.15 -2.19 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 1b94 s LYS 92 CO 0.09 0.55 -0.13 0.99 -0.76 0.00 0.00 175.35 176.09 1b94 s THR 93 N -0.86 1.05 0.29 2.17 2.01 -1.26 -0.42 115.64 118.62 1b94 s THR 93 Ca 0.14 -1.06 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 1b94 s THR 93 Cb -0.10 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1b94 s THR 93 CO 0.04 -0.08 0.48 0.28 -0.69 0.00 0.00 174.62 174.65 1b94 s THR 94 N -0.97 0.00 0.39 -0.82 -1.32 -0.42 -4.94 115.64 107.56 1b94 s THR 94 Ca -0.00 -1.48 0.05 0.00 -1.21 0.00 0.00 61.69 59.04 1b94 s THR 94 Cb -0.08 -2.44 -0.06 0.00 -1.51 0.00 0.00 72.50 68.41 1b94 s THR 94 CO 0.01 0.00 0.04 -0.72 -2.21 0.00 0.00 174.62 171.74 1b94 s TYR 95 N -3.54 2.15 0.00 9.09 -0.85 -1.26 -2.29 117.35 120.65 1b94 s TYR 95 Ca 0.26 -0.88 -0.01 0.00 -0.52 0.00 0.00 57.07 55.92 1b94 s TYR 95 Cb -0.00 -1.51 -0.01 0.00 0.38 0.00 0.00 41.96 40.82 1b94 s TYR 95 CO 0.13 0.18 0.02 -0.08 -1.52 0.00 0.00 175.55 174.29 1b94 s THR 96 N -3.00 0.05 0.02 -3.49 -1.32 0.53 -4.86 115.64 103.57 1b94 s THR 96 Ca 0.30 -0.39 0.08 0.00 -1.21 0.00 0.00 61.69 60.48 1b94 s THR 96 Cb 0.08 -0.16 -0.23 0.00 -1.51 0.00 0.00 72.50 70.67 1b94 s THR 96 CO 0.15 -0.21 0.91 0.78 -2.21 0.00 0.00 174.62 174.03 1b94 h ASN 97 N 5.41 0.06 -4.05 8.08 -0.26 -1.92 -0.88 115.58 122.02 1b94 h ASN 97 Ca -0.28 -0.09 -0.43 0.00 -0.56 0.00 0.00 56.30 54.94 1b94 h ASN 97 Cb 1.21 -0.02 -0.29 0.00 -1.06 0.00 0.00 38.32 38.16 1b94 h ASN 97 CO 0.45 1.08 -0.79 -0.75 -1.06 0.00 0.00 177.43 176.36 1b94 s LYS 98 N -2.64 0.90 0.15 0.81 2.20 -1.26 -4.63 119.74 115.27 1b94 s LYS 98 Ca -0.04 -0.38 -0.34 0.00 -0.36 0.00 0.00 55.97 54.86 1b94 s LYS 98 Cb 0.09 -0.87 -0.16 0.00 -1.51 0.00 0.00 37.83 35.37 1b94 s LYS 98 CO 0.83 0.22 1.12 -1.91 -0.36 0.00 0.00 175.35 175.24 1b94 n GLU 99 N 2.89 0.95 -2.29 4.03 4.07 -1.26 -2.86 120.64 126.17 1b94 n GLU 99 Ca -0.14 0.34 -0.18 0.00 -0.06 0.00 0.00 57.16 57.12 1b94 n GLU 99 Cb 0.56 -1.81 -0.01 0.00 -0.06 0.00 0.00 31.44 30.11 1b94 n GLU 99 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1b94 n ASN 100 N 2.00 -5.13 -4.01 4.31 5.15 -1.26 -5.05 115.26 111.26 1b94 n ASN 100 Ca 0.16 0.01 -0.30 0.00 -0.60 0.00 0.00 54.58 53.85 1b94 n ASN 100 Cb 0.22 -4.22 0.20 0.00 -0.53 0.00 0.00 39.78 35.46 1b94 n ASN 100 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1b94 s GLU 101 N -4.81 0.23 0.52 1.20 2.02 -1.13 -4.92 118.70 111.81 1b94 s GLU 101 Ca 0.00 -0.41 -0.20 0.00 0.02 0.00 0.00 54.97 54.38 1b94 s GLU 101 Cb 0.00 -1.80 -0.06 0.00 0.10 0.00 0.00 34.13 32.37 1b94 s GLU 101 CO 0.00 -2.69 1.12 0.15 0.02 0.00 0.00 175.26 173.86 1b94 s LYS 102 N -5.85 3.48 0.20 1.61 1.02 -1.26 -4.64 119.74 114.30 1b94 s LYS 102 Ca 0.75 1.59 0.02 0.00 0.02 0.00 0.00 55.97 58.34 1b94 s LYS 102 Cb -0.04 -2.07 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 1b94 s LYS 102 CO 0.54 -0.74 0.03 0.96 -0.92 0.00 0.00 175.35 175.22 1b94 s ILE 103 N -1.78 0.68 0.00 2.17 -4.36 -0.43 -4.91 121.20 112.57 1b94 s ILE 103 Ca 0.71 -1.99 -0.19 0.00 -0.26 0.00 0.00 60.65 58.92 1b94 s ILE 103 Cb -0.23 -2.28 0.04 0.00 1.25 0.00 0.00 42.46 41.24 1b94 s ILE 103 CO 0.27 -0.34 0.41 -1.59 0.24 0.00 0.00 174.94 173.93 1b94 s LYS 104 N -3.94 0.82 0.20 0.37 -2.85 -1.26 -1.98 119.74 111.10 1b94 s LYS 104 Ca 0.28 -0.19 0.08 0.00 -1.00 0.00 0.00 55.97 55.14 1b94 s LYS 104 Cb 0.06 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 1b94 s LYS 104 CO 0.07 -0.26 -0.14 -0.06 0.10 0.00 0.00 175.35 175.06 1b94 s PHE 105 N -1.74 1.69 -0.19 1.78 0.40 -1.26 -4.83 117.98 113.82 1b94 s PHE 105 Ca -0.10 -0.58 -0.14 0.00 -0.60 0.00 0.00 56.93 55.51 1b94 s PHE 105 Cb -0.03 -0.79 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 1b94 s PHE 105 CO 0.03 0.34 0.30 0.95 0.70 0.00 0.00 175.22 177.54 1b94 s THR 106 N -2.94 5.28 -0.50 0.64 -4.23 -1.26 -1.34 115.64 111.29 1b94 s THR 106 Ca 0.22 0.52 0.02 0.00 -1.18 0.00 0.00 61.69 61.27 1b94 s THR 106 Cb -0.01 -3.64 0.51 0.00 1.34 0.00 0.00 72.50 70.70 1b94 s THR 106 CO 0.06 0.33 1.78 0.18 -0.54 0.00 0.00 174.62 176.43 1b94 n LEU 107 N 4.02 6.47 0.00 4.79 4.77 0.10 -4.92 117.00 132.23 1b94 n LEU 107 Ca -0.11 -4.16 0.00 0.00 -0.03 0.00 0.00 56.01 51.71 1b94 n LEU 107 Cb 0.52 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1b94 n LEU 107 CO 0.39 1.47 0.00 0.61 -1.33 0.00 0.00 177.39 178.53 1b94 n GLY 108 N -0.96 1.58 3.75 -0.72 0.00 -1.26 -4.65 105.19 102.93 1b94 n GLY 108 Ca 0.54 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 1b94 n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b94 s GLY 109 N -0.52 1.95 0.00 -0.02 0.00 -1.26 -0.13 107.32 107.35 1b94 s GLY 109 Ca 0.00 0.50 0.18 0.00 0.00 0.00 0.00 44.72 45.40 1b94 s GLY 109 CO 0.00 0.87 1.01 1.58 0.00 0.00 0.00 173.10 176.56 1b94 n TYR 110 N -3.08 0.00 -0.07 1.90 0.18 -0.69 -4.53 117.16 110.86 1b94 n TYR 110 Ca 0.11 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.91 1b94 n TYR 110 Cb 0.52 0.00 0.06 0.00 -0.38 0.00 0.00 39.34 39.54 1b94 n TYR 110 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1b94 n THR 111 N 0.67 0.98 0.00 -3.48 -2.24 -1.26 -4.55 114.28 104.40 1b94 n THR 111 Ca 0.09 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1b94 n THR 111 Cb 0.42 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1b94 n THR 111 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b94 n SER 112 N -0.06 0.00 0.25 3.42 3.41 -1.26 -4.70 113.62 114.67 1b94 n SER 112 Ca 0.05 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.75 1b94 n SER 112 Cb 0.32 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 64.91 1b94 n SER 112 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1b94 h PHE 113 N 0.00 0.00 0.00 7.33 -5.15 -1.60 0.40 116.94 117.92 1b94 h PHE 113 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1b94 h PHE 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 1b94 h PHE 113 CO 0.00 0.12 0.00 -0.84 -2.00 0.00 0.00 178.31 175.59 1b94 h ILE 114 N 0.00 0.00 0.00 0.88 3.07 -1.86 -3.18 117.51 116.42 1b94 h ILE 114 Ca -0.00 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 66.01 1b94 h ILE 114 Cb 0.24 1.27 0.00 0.00 -0.27 0.00 0.00 36.82 38.06 1b94 h ILE 114 CO 0.02 0.00 -0.34 0.54 -1.05 0.00 0.00 178.15 177.31 1b94 n ARG 115 N -2.52 4.75 -3.50 0.16 1.74 -0.25 -4.90 116.66 112.15 1b94 n ARG 115 Ca 0.03 -0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.88 1b94 n ARG 115 Cb 0.31 -0.79 -0.13 0.00 -1.02 0.00 0.00 32.46 30.82 1b94 n ARG 115 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1b94 s ASN 116 N -1.62 2.13 0.51 0.55 3.84 -0.03 -5.04 114.94 115.28 1b94 s ASN 116 Ca 0.02 -0.67 0.46 0.00 0.21 0.00 0.00 52.86 52.88 1b94 s ASN 116 Cb 0.04 0.13 1.60 0.00 -0.55 0.00 0.00 41.25 42.47 1b94 s ASN 116 CO 0.23 -0.37 1.45 -3.20 -2.79 0.00 0.00 177.10 172.42 1b94 n ASN 117 N 5.29 0.02 -0.05 -4.21 5.15 -1.25 -0.79 115.26 119.42 1b94 n ASN 117 Ca -0.05 0.96 0.06 0.00 -0.60 0.00 0.00 54.58 54.94 1b94 n ASN 117 Cb 0.47 -0.48 0.08 0.00 -0.53 0.00 0.00 39.78 39.32 1b94 n ASN 117 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1b94 n THR 118 N -3.85 1.51 -2.84 -0.44 -2.24 -1.26 0.08 114.28 105.23 1b94 n THR 118 Ca 0.41 -1.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.04 1b94 n THR 118 Cb 1.85 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 70.11 1b94 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1b94 s LYS 119 N -2.09 3.91 -1.44 -0.78 2.20 0.03 -4.25 119.74 117.33 1b94 s LYS 119 Ca 0.19 0.64 -0.10 0.00 -0.36 0.00 0.00 55.97 56.34 1b94 s LYS 119 Cb 0.16 -3.77 0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1b94 s LYS 119 CO 0.02 -0.84 1.03 0.09 -0.36 0.00 0.00 175.35 175.30 1b94 n ASN 120 N 6.55 -5.80 -3.93 1.43 4.13 -1.26 -2.23 115.26 114.15 1b94 n ASN 120 Ca 0.06 -0.58 -0.10 0.00 1.68 0.00 0.00 54.58 55.64 1b94 n ASN 120 Cb 0.48 -4.60 -0.12 0.00 -1.54 0.00 0.00 39.78 34.00 1b94 n ASN 120 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1b94 s ILE 121 N -3.28 0.07 0.15 2.41 2.07 -1.26 -0.57 121.20 120.79 1b94 s ILE 121 Ca 0.58 -0.54 -0.14 0.00 -1.41 0.00 0.00 60.65 59.14 1b94 s ILE 121 Cb -0.27 -0.17 0.03 0.00 0.13 0.00 0.00 42.46 42.18 1b94 s ILE 121 CO 0.71 -0.30 1.70 0.58 -1.91 0.00 0.00 174.94 175.72 1b94 h VAL 122 N 4.83 1.22 -3.58 4.00 2.07 -1.29 -3.43 116.25 120.06 1b94 h VAL 122 Ca -0.29 -0.69 -0.50 0.00 0.82 0.00 0.00 66.70 66.04 1b94 h VAL 122 Cb 1.21 0.73 -0.19 0.00 -1.52 0.00 0.00 31.29 31.52 1b94 h VAL 122 CO 0.45 0.26 -0.79 -0.31 0.02 0.00 0.00 177.57 177.19 1b94 s TYR 123 N -5.52 1.68 0.19 1.57 2.02 -1.26 -5.10 117.35 110.94 1b94 s TYR 123 Ca -0.13 -0.47 -0.31 0.00 -0.37 0.00 0.00 57.07 55.79 1b94 s TYR 123 Cb 0.11 -0.88 -0.16 0.00 -0.40 0.00 0.00 41.96 40.64 1b94 s TYR 123 CO 0.78 0.24 0.96 -2.30 -1.57 0.00 0.00 175.55 173.66 1b94 n PRO 124 N 0.63 0.81 0.02 -1.71 -0.02 -1.26 -4.80 135.00 128.67 1b94 n PRO 124 Ca -0.16 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 61.73 1b94 n PRO 124 Cb 0.56 -1.64 0.58 0.00 -0.02 0.00 0.00 33.50 32.98 1b94 n PRO 124 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1b94 h PHE 125 N 2.44 0.23 0.00 6.00 3.57 -0.69 -1.27 116.94 127.22 1b94 h PHE 125 Ca -0.39 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1b94 h PHE 125 Cb 1.37 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1b94 h PHE 125 CO 0.50 0.11 0.00 -0.40 -2.23 0.00 0.00 178.31 176.29 1b94 n ASP 126 N -4.46 0.00 -0.05 0.41 5.68 -1.26 -2.62 116.55 114.25 1b94 n ASP 126 Ca 0.06 0.09 0.14 0.00 -0.50 0.00 0.00 54.79 54.58 1b94 n ASP 126 Cb 0.35 -0.33 0.57 0.00 -1.14 0.00 0.00 41.12 40.56 1b94 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b94 n GLN 127 N -1.33 0.34 -3.74 0.11 6.02 -0.48 -4.86 117.38 113.44 1b94 n GLN 127 Ca 0.09 -0.10 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1b94 n GLN 127 Cb 0.19 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.89 1b94 n GLN 127 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1b94 s TYR 128 N -2.73 3.58 -0.90 1.08 1.51 -1.08 -0.84 117.35 117.98 1b94 s TYR 128 Ca 0.21 0.61 0.11 0.00 -1.01 0.00 0.00 57.07 57.00 1b94 s TYR 128 Cb 0.19 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1b94 s TYR 128 CO 0.53 0.60 0.62 0.44 -1.11 0.00 0.00 175.55 176.63 1b94 n ILE 129 N 2.35 0.00 -3.75 2.71 -6.64 -0.20 -4.85 119.36 108.98 1b94 n ILE 129 Ca -0.17 -0.34 -0.13 0.00 -1.77 0.00 0.00 62.75 60.34 1b94 n ILE 129 Cb 0.54 1.09 -0.10 0.00 -1.44 0.00 0.00 39.64 39.73 1b94 n ILE 129 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1b94 s ALA 130 N -1.67 -0.85 -0.31 -1.28 0.00 -1.22 -5.07 121.76 111.36 1b94 s ALA 130 Ca 0.08 0.92 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1b94 s ALA 130 Cb 0.09 -0.51 0.09 0.00 0.00 0.00 0.00 23.12 22.79 1b94 s ALA 130 CO 0.34 -0.17 0.05 -1.01 0.00 0.00 0.00 175.76 174.97 1b94 s HIS 131 N 0.05 2.81 0.05 0.00 3.76 -1.26 -1.14 115.29 119.55 1b94 s HIS 131 Ca -0.01 -2.35 -0.00 0.00 -0.15 0.00 0.00 55.06 52.55 1b94 s HIS 131 Cb -0.03 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 1b94 s HIS 131 CO 0.01 -0.90 0.20 -1.58 -0.85 0.00 0.00 174.74 171.62 1b94 s TRP 132 N 1.24 3.50 -0.19 1.40 0.51 0.99 -0.75 118.94 125.64 1b94 s TRP 132 Ca 0.08 0.26 -0.02 0.00 -2.12 0.00 0.00 56.10 54.29 1b94 s TRP 132 Cb -0.18 -1.76 -0.00 0.00 -0.81 0.00 0.00 33.47 30.71 1b94 s TRP 132 CO -0.14 0.59 -0.10 0.42 -0.51 0.00 0.00 176.95 177.21 1b94 s ILE 133 N -1.47 2.99 -0.50 2.03 -1.09 0.13 -1.52 121.20 121.77 1b94 s ILE 133 Ca 0.33 -0.64 -0.19 0.00 -2.23 0.00 0.00 60.65 57.93 1b94 s ILE 133 Cb -0.13 -2.31 0.06 0.00 -1.58 0.00 0.00 42.46 38.50 1b94 s ILE 133 CO 0.26 0.48 0.59 -0.63 -1.23 0.00 0.00 174.94 174.40 1b94 s ILE 134 N 1.14 4.93 -0.21 2.92 1.01 -0.02 -1.64 121.20 129.33 1b94 s ILE 134 Ca 0.01 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 1b94 s ILE 134 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1b94 s ILE 134 CO -0.03 -0.76 0.39 -0.83 0.00 0.00 0.00 174.94 173.71 1b94 s GLY 135 N 2.64 2.05 -0.11 6.18 0.00 -0.69 -0.78 107.32 116.61 1b94 s GLY 135 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.28 1b94 s GLY 135 CO 0.11 0.83 -0.12 -0.19 0.00 0.00 0.00 173.10 173.74 1b94 s TYR 136 N 1.41 2.83 -0.07 1.90 2.02 0.44 -1.34 117.35 124.55 1b94 s TYR 136 Ca 0.18 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 1b94 s TYR 136 Cb -0.15 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 1b94 s TYR 136 CO 0.08 -0.06 -0.16 0.08 -1.57 0.00 0.00 175.55 173.92 1b94 s VAL 137 N 0.03 1.43 0.10 0.71 1.01 -0.22 -1.30 120.40 122.15 1b94 s VAL 137 Ca -0.04 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1b94 s VAL 137 Cb -0.14 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1b94 s VAL 137 CO 0.04 0.42 -0.14 -0.72 0.00 0.00 0.00 175.10 174.69 1b94 s TYR 138 N 0.39 1.32 -0.16 5.22 -0.85 -0.97 -0.22 117.35 122.08 1b94 s TYR 138 Ca -0.12 -0.52 -0.19 0.00 -0.52 0.00 0.00 57.07 55.73 1b94 s TYR 138 Cb -0.15 -0.72 -0.04 0.00 0.38 0.00 0.00 41.96 41.44 1b94 s TYR 138 CO 0.04 0.10 0.51 0.99 -1.52 0.00 0.00 175.55 175.67 1b94 s THR 139 N -1.75 5.14 0.40 -3.49 2.01 -0.30 -0.35 115.64 117.30 1b94 s THR 139 Ca 0.04 0.98 -0.26 0.00 0.31 0.00 0.00 61.69 62.76 1b94 s THR 139 Cb -0.07 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.51 1b94 s THR 139 CO 0.03 0.25 1.28 -0.13 -0.69 0.00 0.00 174.62 175.36 1b94 s ARG 140 N 1.14 4.00 -0.10 4.92 0.52 -0.34 -2.11 118.95 126.99 1b94 s ARG 140 Ca 0.25 2.11 -0.01 0.00 -0.52 0.00 0.00 55.73 57.57 1b94 s ARG 140 Cb -0.15 -2.76 0.03 0.00 0.52 0.00 0.00 34.95 32.58 1b94 s ARG 140 CO 0.10 -0.45 -0.04 0.08 0.02 0.00 0.00 175.30 175.01 1b94 s VAL 141 N -1.27 0.77 0.09 3.52 1.01 -0.88 -4.86 120.40 118.77 1b94 s VAL 141 Ca 0.56 -0.14 -0.34 0.00 0.00 0.00 0.00 61.98 62.07 1b94 s VAL 141 Cb -0.37 -0.85 -0.13 0.00 0.00 0.00 0.00 36.38 35.03 1b94 s VAL 141 CO 0.48 0.31 1.66 0.00 0.00 0.00 0.00 175.10 177.55 1b94 n ALA 142 N 5.02 1.18 -1.74 5.51 0.00 -1.26 -4.55 120.51 124.68 1b94 n ALA 142 Ca -0.10 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 1b94 n ALA 142 Cb 0.50 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1b94 n ALA 142 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b94 n THR 143 N 3.87 2.18 -3.82 0.00 -1.04 -1.26 -5.02 114.28 109.20 1b94 n THR 143 Ca 0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1b94 n THR 143 Cb 0.29 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 1b94 n THR 143 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1b94 n ARG 144 N 0.34 2.01 -0.18 -2.82 1.85 -1.26 -5.04 116.66 111.56 1b94 n ARG 144 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.79 1b94 n ARG 144 Cb 0.38 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.81 1b94 n ARG 144 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1b94 h LYS 145 N 0.00 1.02 0.00 2.89 3.64 -2.02 -3.05 116.57 119.05 1b94 h LYS 145 Ca 0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1b94 h LYS 145 Cb 0.00 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1b94 h LYS 145 CO 0.00 1.07 0.08 -1.13 -2.27 0.00 0.00 179.45 177.20 1b94 n SER 146 N -4.14 0.50 0.01 4.20 3.41 -1.26 -0.49 113.62 115.86 1b94 n SER 146 Ca 0.01 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1b94 n SER 146 Cb 0.41 -0.74 0.46 0.00 -0.26 0.00 0.00 64.21 64.07 1b94 n SER 146 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1b94 n SER 147 N -2.20 0.27 -0.58 4.04 3.41 -1.15 -4.12 113.62 113.29 1b94 n SER 147 Ca -0.01 0.25 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1b94 n SER 147 Cb 0.11 -0.26 0.36 0.00 -0.26 0.00 0.00 64.21 64.16 1b94 n SER 147 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1b94 n LEU 148 N -1.60 1.73 -4.71 1.04 4.77 0.36 -4.59 117.00 114.00 1b94 n LEU 148 Ca 0.06 -0.73 -0.31 0.00 -0.03 0.00 0.00 56.01 55.00 1b94 n LEU 148 Cb 0.35 -0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1b94 n LEU 148 CO 0.30 0.37 -0.26 -1.59 -1.33 0.00 0.00 177.39 174.88 1b94 s LYS 149 N -1.76 2.11 0.36 3.23 -2.85 -1.26 -5.11 119.74 114.46 1b94 s LYS 149 Ca 0.32 -2.31 0.01 0.00 -1.00 0.00 0.00 55.97 52.99 1b94 s LYS 149 Cb 0.17 -1.51 -0.03 0.00 -2.06 0.00 0.00 37.83 34.40 1b94 s LYS 149 CO 0.26 -0.28 0.56 0.95 0.10 0.00 0.00 175.35 176.94 1b94 s THR 150 N -2.85 4.98 0.21 3.79 -4.23 -1.26 -4.45 115.64 111.82 1b94 s THR 150 Ca 0.15 -0.47 0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1b94 s THR 150 Cb 0.04 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 1b94 s THR 150 CO 0.08 -0.53 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.20 1b94 s TYR 151 N -2.34 1.64 0.28 3.99 1.51 -0.18 -4.97 117.35 117.28 1b94 s TYR 151 Ca 0.41 -0.66 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 1b94 s TYR 151 Cb -0.10 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.90 1b94 s TYR 151 CO 0.36 0.26 0.22 -0.80 -1.11 0.00 0.00 175.55 174.48 1b94 s ASN 152 N -3.30 5.38 0.43 2.29 0.01 -1.26 -0.58 114.94 117.90 1b94 s ASN 152 Ca 0.23 -0.36 0.11 0.00 -0.71 0.00 0.00 52.86 52.13 1b94 s ASN 152 Cb 0.01 -1.22 0.96 0.00 0.41 0.00 0.00 41.25 41.41 1b94 s ASN 152 CO 0.06 -0.14 2.02 0.40 -1.51 0.00 0.00 177.10 177.93 1b94 h ILE 153 N 1.43 1.00 0.00 0.60 2.04 -1.98 -2.12 117.51 118.47 1b94 h ILE 153 Ca -0.47 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1b94 h ILE 153 Cb 1.24 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1b94 h ILE 153 CO 0.60 0.08 0.00 -0.46 0.00 0.00 0.00 178.15 178.37 1b94 n ASN 154 N -4.48 0.00 -0.41 1.72 0.23 -1.26 -2.12 115.26 108.94 1b94 n ASN 154 Ca 0.06 -0.01 0.08 0.00 -0.53 0.00 0.00 54.58 54.18 1b94 n ASN 154 Cb 0.22 -0.22 0.17 0.00 -2.08 0.00 0.00 39.78 37.86 1b94 n ASN 154 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1b94 n GLU 155 N -1.22 2.25 -0.25 -3.83 1.02 -0.80 -4.85 120.64 112.97 1b94 n GLU 155 Ca 0.07 -2.48 -0.01 0.00 -0.02 0.00 0.00 57.16 54.72 1b94 n GLU 155 Cb 0.08 -1.53 0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1b94 n GLU 155 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1b94 h LEU 156 N 0.85 -0.99 0.00 -4.62 3.38 -1.54 0.18 115.31 112.57 1b94 h LEU 156 Ca 0.00 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1b94 h LEU 156 Cb 1.06 0.55 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1b94 h LEU 156 CO 0.08 -0.28 0.00 0.59 0.09 0.00 0.00 178.44 178.92 1b94 n ASN 157 N -5.47 0.00 0.00 -0.43 3.02 -1.26 -2.60 115.26 108.52 1b94 n ASN 157 Ca 0.08 0.18 0.10 0.00 -0.03 0.00 0.00 54.58 54.91 1b94 n ASN 157 Cb 0.38 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 1b94 n ASN 157 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1b94 n GLU 158 N -1.33 0.12 -2.25 3.52 1.02 0.62 -4.94 120.64 117.40 1b94 n GLU 158 Ca 0.06 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1b94 n GLU 158 Cb 0.12 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1b94 n GLU 158 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b94 s ILE 159 N -3.09 3.72 0.18 -3.67 1.01 -1.07 -4.99 121.20 113.28 1b94 s ILE 159 Ca 0.06 1.15 -0.30 0.00 0.00 0.00 0.00 60.65 61.55 1b94 s ILE 159 Cb 0.16 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.81 1b94 s ILE 159 CO 0.85 0.02 1.28 -2.16 0.00 0.00 0.00 174.94 174.93 1b94 s PRO 160 N 2.00 4.41 -0.07 2.79 0.04 -1.26 -5.02 135.00 137.90 1b94 s PRO 160 Ca 0.63 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.53 1b94 s PRO 160 Cb -0.32 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 1b94 s PRO 160 CO 0.27 -0.22 0.30 0.15 0.04 0.00 0.00 177.00 177.54 1b94 s LYS 161 N 0.04 3.81 0.00 4.56 3.01 -1.26 -4.66 119.74 125.25 1b94 s LYS 161 Ca 0.56 0.18 0.00 0.00 -1.01 0.00 0.00 55.97 55.70 1b94 s LYS 161 Cb -0.35 -3.24 0.00 0.00 -1.01 0.00 0.00 37.83 33.23 1b94 s LYS 161 CO 0.36 0.65 0.92 -0.35 0.51 0.00 0.00 175.35 177.44 1b94 n PRO 162 N 2.16 0.94 -4.07 -1.68 -0.04 -1.26 -4.86 135.00 126.19 1b94 n PRO 162 Ca -0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1b94 n PRO 162 Cb 0.53 -1.03 -0.07 0.00 -0.04 0.00 0.00 33.50 32.90 1b94 n PRO 162 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1b94 s TYR 163 N -1.95 0.65 0.11 0.54 -0.85 -1.26 -2.08 117.35 112.52 1b94 s TYR 163 Ca 0.00 -0.96 -0.12 0.00 -0.52 0.00 0.00 57.07 55.47 1b94 s TYR 163 Cb 0.00 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.30 1b94 s TYR 163 CO 0.00 -0.90 0.28 0.21 -1.52 0.00 0.00 175.55 173.62 1b94 s LYS 164 N -3.99 0.98 -1.25 -3.49 2.20 -0.90 -4.90 119.74 108.40 1b94 s LYS 164 Ca 0.28 -0.90 -0.26 0.00 -0.36 0.00 0.00 55.97 54.74 1b94 s LYS 164 Cb 0.02 0.40 0.03 0.00 -1.51 0.00 0.00 37.83 36.76 1b94 s LYS 164 CO 0.11 -0.35 0.61 0.41 -0.36 0.00 0.00 175.35 175.77 1b94 n GLY 165 N -0.15 -0.74 3.71 5.54 0.00 -1.26 -1.15 105.19 111.15 1b94 n GLY 165 Ca -0.14 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1b94 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b94 s VAL 166 N -3.65 3.73 0.15 1.61 1.01 -1.26 -4.15 120.40 117.84 1b94 s VAL 166 Ca 0.40 1.23 0.10 0.00 0.00 0.00 0.00 61.98 63.71 1b94 s VAL 166 Cb -0.20 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1b94 s VAL 166 CO 0.95 0.09 -0.23 -0.54 0.00 0.00 0.00 175.10 175.37 1b94 s LYS 167 N 1.18 1.34 0.03 2.72 1.02 0.69 -4.97 119.74 121.75 1b94 s LYS 167 Ca 0.61 -1.36 0.02 0.00 0.02 0.00 0.00 55.97 55.26 1b94 s LYS 167 Cb -0.32 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1b94 s LYS 167 CO 0.29 0.37 -0.08 0.54 -0.92 0.00 0.00 175.35 175.55 1b94 s VAL 168 N -1.45 0.56 0.16 3.17 0.11 -1.26 -1.06 120.40 120.63 1b94 s VAL 168 Ca 0.14 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1b94 s VAL 168 Cb -0.09 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1b94 s VAL 168 CO 0.07 -0.18 0.01 0.72 -3.33 0.00 0.00 175.10 172.39 1b94 s PHE 169 N -0.92 1.14 -0.09 1.54 -0.12 -0.45 -4.93 117.98 114.15 1b94 s PHE 169 Ca -0.05 -1.06 -0.01 0.00 -0.05 0.00 0.00 56.93 55.77 1b94 s PHE 169 Cb -0.07 -0.65 0.03 0.00 -0.63 0.00 0.00 43.02 41.70 1b94 s PHE 169 CO 0.00 -0.27 -0.04 -1.17 -0.05 0.00 0.00 175.22 173.70 1b94 s LEU 170 N -3.15 0.91 0.04 -1.99 0.20 -1.26 -1.70 118.68 111.73 1b94 s LEU 170 Ca 0.24 -0.19 -0.17 0.00 0.69 0.00 0.00 54.13 54.69 1b94 s LEU 170 Cb 0.06 -0.64 0.03 0.00 -0.43 0.00 0.00 46.19 45.22 1b94 s LEU 170 CO 0.03 -0.15 0.39 -1.58 -0.29 0.00 0.00 176.35 174.75 1b94 s GLN 171 N 1.80 0.88 0.26 1.98 2.00 -0.65 -4.97 119.66 120.96 1b94 s GLN 171 Ca 0.04 -0.38 -0.30 0.00 -2.00 0.00 0.00 55.36 52.73 1b94 s GLN 171 Cb -0.12 0.39 -0.10 0.00 0.80 0.00 0.00 33.01 33.98 1b94 s GLN 171 CO -0.06 -0.29 1.36 -0.51 -0.50 0.00 0.00 175.29 175.28 1b94 s ASP 172 N -1.96 6.77 0.15 6.67 1.01 -1.26 0.20 116.67 128.25 1b94 s ASP 172 Ca -0.06 2.59 -0.19 0.00 0.71 0.00 0.00 52.55 55.60 1b94 s ASP 172 Cb -0.01 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.34 1b94 s ASP 172 CO -0.02 -0.59 1.67 0.50 0.21 0.00 0.00 175.17 176.94 1b94 h LYS 173 N 4.64 -0.05 -0.51 8.23 3.64 -1.26 -2.43 116.57 128.83 1b94 h LYS 173 Ca -0.46 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 1b94 h LYS 173 Cb 1.22 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 1b94 h LYS 173 CO 0.74 -0.03 0.34 0.11 -2.27 0.00 0.00 179.45 178.34 1b94 h TRP 174 N -0.05 0.43 -0.04 1.91 5.08 -1.93 -2.12 115.95 119.24 1b94 h TRP 174 Ca 0.15 0.01 -0.14 0.00 1.08 0.00 0.00 58.89 59.99 1b94 h TRP 174 Cb 0.28 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 26.28 1b94 h TRP 174 CO -0.31 0.23 -0.60 0.28 -1.28 0.00 0.00 178.44 176.75 1b94 h VAL 175 N 0.43 1.41 -0.41 0.12 2.07 -1.83 -3.00 116.25 115.03 1b94 h VAL 175 Ca 0.22 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1b94 h VAL 175 Cb 0.34 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1b94 h VAL 175 CO -0.06 0.59 0.00 2.30 0.02 0.00 0.00 177.57 180.42 1b94 n ILE 176 N -3.85 0.53 -2.14 4.57 -5.35 -0.96 -3.07 119.36 109.08 1b94 n ILE 176 Ca -0.02 -0.76 -0.39 0.00 -0.27 0.00 0.00 62.75 61.32 1b94 n ILE 176 Cb 0.61 0.95 -0.01 0.00 -1.74 0.00 0.00 39.64 39.45 1b94 n ILE 176 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b94 s ALA 177 N -1.47 3.16 0.00 -1.28 0.00 -0.84 -0.86 121.76 120.48 1b94 s ALA 177 Ca 0.40 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1b94 s ALA 177 Cb 0.23 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1b94 s ALA 177 CO 0.32 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1b94 n GLY 178 N 0.64 3.48 0.42 0.00 0.00 -0.27 -3.62 105.19 105.85 1b94 n GLY 178 Ca 0.05 -2.13 0.04 0.00 0.00 0.00 0.00 46.02 43.98 1b94 n GLY 178 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b94 n ASP 179 N -1.48 2.25 -4.31 1.61 5.75 -1.26 -4.78 116.55 114.34 1b94 n ASP 179 Ca 0.00 -1.70 -0.31 0.00 -0.01 0.00 0.00 54.79 52.77 1b94 n ASP 179 Cb 0.00 -0.10 -0.16 0.00 -1.03 0.00 0.00 41.12 39.83 1b94 n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1b94 s LEU 180 N -0.87 2.05 0.51 -2.12 1.43 -1.26 -4.56 118.68 113.86 1b94 s LEU 180 Ca 0.14 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 1b94 s LEU 180 Cb 0.08 -1.34 -0.08 0.00 0.03 0.00 0.00 46.19 44.89 1b94 s LEU 180 CO 0.11 0.32 0.98 0.00 0.23 0.00 0.00 176.35 177.99 1b94 n ALA 181 N 2.47 0.20 0.57 4.21 0.00 -1.26 -2.25 120.51 124.45 1b94 n ALA 181 Ca -0.16 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1b94 n ALA 181 Cb 0.51 -2.09 0.12 0.00 0.00 0.00 0.00 19.45 17.98 1b94 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b94 n GLY 182 N 1.24 -1.33 3.46 0.00 0.00 0.00 -4.45 105.19 104.11 1b94 n GLY 182 Ca 0.11 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1b94 n GLY 182 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b94 s SER 183 N -4.09 -0.60 0.00 1.61 1.04 -1.24 -4.89 113.70 105.53 1b94 s SER 183 Ca 0.05 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1b94 s SER 183 Cb 0.14 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1b94 s SER 183 CO 0.75 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1b94 n GLY 184 N 0.32 -0.22 0.30 7.32 0.00 -1.26 -3.42 105.19 108.22 1b94 n GLY 184 Ca -0.18 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.02 1b94 n GLY 184 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1b94 h ASN 185 N 0.00 0.00 -0.37 1.61 7.08 -2.00 -1.85 115.58 120.05 1b94 h ASN 185 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1b94 h ASN 185 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1b94 h ASN 185 CO 0.00 0.04 0.00 0.35 -2.08 0.00 0.00 177.43 175.74 1b94 n THR 186 N -3.30 2.06 -3.65 6.14 -2.24 -1.26 -5.02 114.28 107.01 1b94 n THR 186 Ca -0.02 -1.56 -0.24 0.00 -2.27 0.00 0.00 64.05 59.96 1b94 n THR 186 Cb 0.19 -0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.35 1b94 n THR 186 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1b94 n THR 187 N 0.06 -2.19 -4.01 4.28 -2.24 -0.70 -4.79 114.28 104.69 1b94 n THR 187 Ca 0.21 -0.16 -0.28 0.00 -2.27 0.00 0.00 64.05 61.55 1b94 n THR 187 Cb 0.85 -1.92 -0.05 0.00 -2.10 0.00 0.00 70.33 67.11 1b94 n THR 187 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1b94 s ASN 188 N -3.16 5.86 0.37 3.42 0.02 -1.22 -1.71 114.94 118.51 1b94 s ASN 188 Ca 0.13 0.05 -0.27 0.00 -1.02 0.00 0.00 52.86 51.75 1b94 s ASN 188 Cb -0.07 -1.65 -0.09 0.00 0.02 0.00 0.00 41.25 39.45 1b94 s ASN 188 CO 0.68 0.12 1.23 -0.63 0.02 0.00 0.00 177.10 178.52 1b94 s ILE 189 N -1.60 2.93 -0.03 0.60 1.01 0.82 -0.82 121.20 124.11 1b94 s ILE 189 Ca 0.32 0.85 -0.05 0.00 0.00 0.00 0.00 60.65 61.77 1b94 s ILE 189 Cb -0.11 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1b94 s ILE 189 CO 0.25 0.14 0.21 -0.83 0.00 0.00 0.00 174.94 174.71 1b94 s GLY 190 N -0.82 2.21 0.77 6.18 0.00 -0.95 0.02 107.32 114.73 1b94 s GLY 190 Ca 0.53 -0.65 -0.07 0.00 0.00 0.00 0.00 44.72 44.53 1b94 s GLY 190 CO 0.46 -0.47 1.08 -1.35 0.00 0.00 0.00 173.10 172.82 1b94 s SER 191 N -1.61 4.21 1.01 1.64 1.04 -0.45 -1.11 113.70 118.42 1b94 s SER 191 Ca 0.24 0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 1b94 s SER 191 Cb -0.13 -0.51 0.20 0.00 0.10 0.00 0.00 66.02 65.68 1b94 s SER 191 CO 0.14 -1.98 1.11 0.27 0.98 0.00 0.00 173.24 173.76 1b94 s ILE 192 N -3.37 2.02 -0.63 -1.02 -4.36 -0.04 -4.04 121.20 109.76 1b94 s ILE 192 Ca 0.66 0.01 -0.06 0.00 -0.26 0.00 0.00 60.65 60.99 1b94 s ILE 192 Cb -0.07 -2.02 0.16 0.00 1.25 0.00 0.00 42.46 41.79 1b94 s ILE 192 CO 0.47 -0.01 0.48 -2.28 0.24 0.00 0.00 174.94 173.83 1b94 s HIS 193 N -2.57 3.50 0.36 1.37 5.65 -1.26 -4.48 115.29 117.87 1b94 s HIS 193 Ca 0.67 -2.40 -0.12 0.00 0.25 0.00 0.00 55.06 53.47 1b94 s HIS 193 Cb -0.24 -3.38 0.03 0.00 -1.18 0.00 0.00 32.58 27.81 1b94 s HIS 193 CO 0.60 -0.91 0.67 0.00 -0.65 0.00 0.00 174.74 174.46 1b94 s ALA 194 N 0.30 -0.26 0.61 1.58 0.00 -0.84 -4.87 121.76 118.30 1b94 s ALA 194 Ca 0.15 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 1b94 s ALA 194 Cb -0.19 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1b94 s ALA 194 CO -0.04 -0.92 1.06 -1.01 0.00 0.00 0.00 175.76 174.85 1b94 s HIS 195 N -2.69 2.97 0.28 0.00 3.76 -1.26 -1.31 115.29 117.05 1b94 s HIS 195 Ca 0.20 1.50 0.01 0.00 -0.15 0.00 0.00 55.06 56.62 1b94 s HIS 195 Cb -0.03 -3.00 0.66 0.00 1.11 0.00 0.00 32.58 31.32 1b94 s HIS 195 CO 0.14 -1.18 1.65 -0.92 -0.85 0.00 0.00 174.74 173.58 1b94 h TYR 196 N 0.23 0.32 -0.63 1.40 3.20 -1.91 -1.10 116.97 118.48 1b94 h TYR 196 Ca -0.46 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.50 1b94 h TYR 196 Cb 1.22 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 1b94 h TYR 196 CO 0.59 -0.20 0.42 1.57 -1.64 0.00 0.00 178.16 178.90 1b94 h LYS 197 N 0.21 0.67 -0.82 1.82 2.10 -2.00 -1.70 116.57 116.86 1b94 h LYS 197 Ca 0.53 -0.04 0.05 0.00 -2.00 0.00 0.00 60.65 59.19 1b94 h LYS 197 Cb 1.04 -0.15 -0.05 0.00 -0.90 0.00 0.00 32.23 32.17 1b94 h LYS 197 CO -0.64 0.45 0.53 -0.44 -2.00 0.00 0.00 179.45 177.35 1b94 h ASP 198 N 0.69 0.82 -0.13 7.07 3.32 -1.56 -0.57 116.42 126.05 1b94 h ASP 198 Ca 0.26 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1b94 h ASP 198 Cb 0.16 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1b94 h ASP 198 CO -0.08 0.54 -0.11 -0.26 -1.72 0.00 0.00 179.24 177.61 1b94 h PHE 199 N 0.93 0.37 -0.53 4.55 -1.00 -1.34 0.43 116.94 120.35 1b94 h PHE 199 Ca 0.34 -0.10 0.05 0.00 2.81 0.00 0.00 57.97 61.07 1b94 h PHE 199 Cb 0.16 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.59 1b94 h PHE 199 CO -0.00 0.69 0.27 0.28 -1.61 0.00 0.00 178.31 177.93 1b94 h VAL 200 N -0.06 0.95 0.00 -0.55 2.07 -1.18 -2.40 116.25 115.07 1b94 h VAL 200 Ca 0.02 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1b94 h VAL 200 Cb 0.62 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1b94 h VAL 200 CO 0.03 0.09 -0.15 -0.33 0.02 0.00 0.00 177.57 177.24 1b94 h GLU 201 N 0.51 0.00 -0.83 1.57 5.08 -1.12 -3.48 114.58 116.31 1b94 h GLU 201 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1b94 h GLU 201 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1b94 h GLU 201 CO -0.17 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.25 1b94 n GLY 202 N 1.27 0.90 2.98 -3.84 0.00 0.01 -4.97 105.19 101.54 1b94 n GLY 202 Ca 0.05 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1b94 n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b94 n LYS 203 N -0.54 3.50 -0.54 1.61 4.76 -0.43 -4.91 118.16 121.61 1b94 n LYS 203 Ca 0.00 -3.50 0.00 0.00 -2.87 0.00 0.00 58.31 51.94 1b94 n LYS 203 Cb 0.48 -2.99 0.00 0.00 -1.84 0.00 0.00 35.03 30.67 1b94 n LYS 203 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b94 n GLY 204 N 3.20 0.56 0.00 0.72 0.00 -1.17 -4.97 105.19 103.53 1b94 n GLY 204 Ca 0.41 -1.92 0.07 0.00 0.00 0.00 0.00 46.02 44.57 1b94 n GLY 204 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b94 n ILE 205 N -1.42 0.00 -3.17 -0.61 -6.64 -1.24 -5.00 119.36 101.28 1b94 n ILE 205 Ca 0.00 -0.20 -0.34 0.00 -1.77 0.00 0.00 62.75 60.44 1b94 n ILE 205 Cb 0.00 0.80 -0.06 0.00 -1.44 0.00 0.00 39.64 38.94 1b94 n ILE 205 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 1b94 s PHE 206 N -2.53 3.47 -0.17 4.28 0.08 -1.26 -5.00 117.98 116.85 1b94 s PHE 206 Ca 0.03 1.22 0.18 0.00 0.12 0.00 0.00 56.93 58.48 1b94 s PHE 206 Cb 0.11 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 1b94 s PHE 206 CO 0.60 0.20 1.05 -0.44 -0.10 0.00 0.00 175.22 176.53 1b94 h ASP 207 N 2.70 0.00 -5.12 1.36 3.32 -1.96 -3.48 116.42 113.24 1b94 h ASP 207 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1b94 h ASP 207 Cb 1.18 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.64 1b94 h ASP 207 CO 0.66 0.42 0.02 -0.94 -1.72 0.00 0.00 179.24 177.68 1b94 s SER 208 N -5.88 -0.20 0.36 6.45 1.04 -1.26 -5.02 113.70 109.20 1b94 s SER 208 Ca -0.00 -0.66 0.15 0.00 0.48 0.00 0.00 55.95 55.91 1b94 s SER 208 Cb 0.08 0.61 0.70 0.00 0.10 0.00 0.00 66.02 67.51 1b94 s SER 208 CO 0.78 -1.15 1.78 -0.08 0.98 0.00 0.00 173.24 175.56 1b94 h GLU 209 N 2.18 0.00 -0.67 4.02 4.81 -1.93 -1.67 114.58 121.32 1b94 h GLU 209 Ca -0.26 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.89 1b94 h GLU 209 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1b94 h GLU 209 CO 0.33 0.40 0.10 -0.44 -0.73 0.00 0.00 179.01 178.68 1b94 h ASP 210 N 0.00 1.06 -0.15 1.04 3.32 -1.99 -0.40 116.42 119.30 1b94 h ASP 210 Ca -0.00 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 1b94 h ASP 210 Cb 0.77 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1b94 h ASP 210 CO 0.05 1.06 -0.11 -0.08 -1.72 0.00 0.00 179.24 178.45 1b94 h GLU 211 N 1.03 0.34 -0.26 3.56 4.81 -1.86 -0.60 114.58 121.60 1b94 h GLU 211 Ca 0.20 -0.16 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1b94 h GLU 211 Cb 0.45 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.75 1b94 h GLU 211 CO 0.01 0.69 -0.39 0.35 -0.73 0.00 0.00 179.01 178.94 1b94 h PHE 212 N -0.01 -1.11 -0.08 0.92 3.57 -0.99 -0.06 116.94 119.17 1b94 h PHE 212 Ca 0.03 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1b94 h PHE 212 Cb 0.61 0.52 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 1b94 h PHE 212 CO 0.07 -0.44 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.58 1b94 h LEU 213 N -0.38 -0.21 -0.68 0.59 3.38 -1.05 -2.05 115.31 114.92 1b94 h LEU 213 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1b94 h LEU 213 Cb 0.58 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1b94 h LEU 213 CO -0.47 -0.09 0.43 -0.78 0.09 0.00 0.00 178.44 177.62 1b94 h ASP 214 N -0.08 0.80 0.10 -0.43 3.58 -0.79 0.43 116.42 120.03 1b94 h ASP 214 Ca 0.06 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.48 1b94 h ASP 214 Cb 0.16 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1b94 h ASP 214 CO -0.13 0.60 -0.20 0.22 -2.88 0.00 0.00 179.24 176.85 1b94 h TYR 215 N 0.92 -0.51 0.00 0.28 5.03 -0.94 -3.05 116.97 118.69 1b94 h TYR 215 Ca 0.25 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.57 1b94 h TYR 215 Cb -0.07 0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1b94 h TYR 215 CO -0.02 -0.29 0.00 -1.49 -1.32 0.00 0.00 178.16 175.04 1b94 h TRP 216 N -0.37 0.00 0.00 -3.82 4.06 -1.15 -1.76 115.95 112.91 1b94 h TRP 216 Ca 0.03 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1b94 h TRP 216 Cb 0.39 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1b94 h TRP 216 CO -0.20 0.00 -0.09 0.00 -3.56 0.00 0.00 178.44 174.59 1b94 h ARG 217 N 0.00 0.00 -0.03 0.49 3.08 -0.88 -3.29 114.38 113.76 1b94 h ARG 217 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b94 h ARG 217 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1b94 h ARG 217 CO 0.00 0.09 0.00 0.09 -1.07 0.00 0.00 179.97 179.08 1b94 n ASN 218 N -3.19 1.52 -4.69 7.04 3.02 -1.14 -5.00 115.26 112.82 1b94 n ASN 218 Ca 0.01 -1.32 -0.42 0.00 -0.03 0.00 0.00 54.58 52.82 1b94 n ASN 218 Cb 0.41 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 1b94 n ASN 218 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b94 s TYR 219 N -0.46 2.82 0.38 3.10 5.04 -0.68 -4.95 117.35 122.59 1b94 s TYR 219 Ca 0.05 0.73 -0.17 0.00 -2.44 0.00 0.00 57.07 55.25 1b94 s TYR 219 Cb 0.04 -3.73 -0.09 0.00 0.35 0.00 0.00 41.96 38.52 1b94 s TYR 219 CO 0.05 -2.76 0.83 -1.21 -1.34 0.00 0.00 175.55 171.12 1b94 s GLU 220 N 2.25 4.05 0.54 4.97 0.41 -1.26 -4.99 118.70 124.66 1b94 s GLU 220 Ca 0.66 0.82 0.26 0.00 -0.41 0.00 0.00 54.97 56.30 1b94 s GLU 220 Cb -0.34 -2.32 1.52 0.00 -1.78 0.00 0.00 34.13 31.20 1b94 s GLU 220 CO 0.28 0.05 2.14 0.00 -0.49 0.00 0.00 175.26 177.24 1b94 h ARG 221 N 1.95 0.00 -5.25 1.61 3.08 -1.97 -3.44 114.38 110.37 1b94 h ARG 221 Ca -0.48 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.20 1b94 h ARG 221 Cb 1.18 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.07 1b94 h ARG 221 CO 0.64 0.08 -0.73 0.95 -1.07 0.00 0.00 179.97 179.83 1b94 s THR 222 N -4.47 1.30 0.39 2.04 -4.23 -1.26 -5.02 115.64 104.39 1b94 s THR 222 Ca -0.04 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1b94 s THR 222 Cb 0.14 -1.76 0.21 0.00 1.34 0.00 0.00 72.50 72.43 1b94 s THR 222 CO 0.59 -0.61 1.98 -1.28 -0.54 0.00 0.00 174.62 174.75 1b94 h SER 223 N 3.01 0.36 -0.83 3.99 0.87 -1.97 0.13 113.55 119.11 1b94 h SER 223 Ca -0.38 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.18 1b94 h SER 223 Cb 1.20 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.01 1b94 h SER 223 CO 0.59 0.38 0.53 -0.61 -0.53 0.00 0.00 176.83 177.19 1b94 h GLN 224 N 0.39 0.98 0.00 2.24 4.15 -1.98 -1.61 115.11 119.28 1b94 h GLN 224 Ca 0.09 -0.06 -0.16 0.00 0.77 0.00 0.00 58.65 59.30 1b94 h GLN 224 Cb 0.18 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 1b94 h GLN 224 CO -0.00 0.65 -1.05 -0.07 -1.93 0.00 0.00 178.83 176.43 1b94 h LEU 225 N 1.01 0.00 0.00 -2.39 3.38 -1.74 -3.35 115.31 112.22 1b94 h LEU 225 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1b94 h LEU 225 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1b94 h LEU 225 CO -0.13 0.64 -0.03 0.03 0.09 0.00 0.00 178.44 179.04 1b94 h ARG 226 N 0.00 0.00 -0.62 1.13 3.08 -0.30 -3.11 114.38 114.57 1b94 h ARG 226 Ca -0.09 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.99 1b94 h ARG 226 Cb 1.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.59 1b94 h ARG 226 CO 0.07 0.00 0.41 -0.91 -1.07 0.00 0.00 179.97 178.47 1b94 h ASN 227 N 0.00 0.63 0.04 7.04 2.35 -1.44 -2.16 115.58 122.03 1b94 h ASN 227 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1b94 h ASN 227 Cb 0.83 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1b94 h ASN 227 CO 0.00 0.44 -0.15 -0.90 -1.65 0.00 0.00 177.43 175.16 1b94 n ASP 228 N -4.46 1.92 0.00 5.81 5.75 -1.17 -4.86 116.55 119.53 1b94 n ASP 228 Ca 0.07 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1b94 n ASP 228 Cb 0.13 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1b94 n ASP 228 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1b94 n LYS 229 N 0.28 0.00 -3.72 0.11 4.81 -0.85 -5.09 118.16 113.70 1b94 n LYS 229 Ca 0.14 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.44 1b94 n LYS 229 Cb 0.44 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.41 1b94 n LYS 229 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1b94 s TYR 230 N 0.51 -0.34 -0.02 5.64 -0.85 -0.98 -4.85 117.35 116.46 1b94 s TYR 230 Ca 0.00 0.67 0.07 0.00 -0.52 0.00 0.00 57.07 57.29 1b94 s TYR 230 Cb 0.00 0.16 -0.11 0.00 0.38 0.00 0.00 41.96 42.39 1b94 s TYR 230 CO 0.00 -0.36 0.16 0.09 -1.52 0.00 0.00 175.55 173.92 1b94 n ASN 231 N 1.76 3.28 -4.00 -0.18 3.02 -1.25 -4.72 115.26 113.17 1b94 n ASN 231 Ca -0.18 -0.02 -0.09 0.00 -0.03 0.00 0.00 54.58 54.26 1b94 n ASN 231 Cb 0.56 1.32 -0.05 0.00 -0.61 0.00 0.00 39.78 41.00 1b94 n ASN 231 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1b94 s ASN 232 N -2.80 -0.08 0.32 6.41 2.20 -1.26 -4.77 114.94 114.96 1b94 s ASN 232 Ca -0.02 -0.94 0.04 0.00 -0.94 0.00 0.00 52.86 51.00 1b94 s ASN 232 Cb 0.05 0.58 0.66 0.00 -2.00 0.00 0.00 41.25 40.54 1b94 s ASN 232 CO 0.30 -1.14 1.87 -0.29 -2.94 0.00 0.00 177.10 174.90 1b94 h ILE 233 N 2.26 0.93 -0.20 0.54 6.09 -1.98 0.20 117.51 125.34 1b94 h ILE 233 Ca -0.26 -0.30 -0.01 0.00 -1.37 0.00 0.00 64.86 62.92 1b94 h ILE 233 Cb 1.25 -0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.50 1b94 h ILE 233 CO 0.36 0.16 0.09 0.28 -3.07 0.00 0.00 178.15 175.96 1b94 h SER 234 N 0.88 0.28 -0.29 2.19 0.02 -1.99 -0.34 113.55 114.30 1b94 h SER 234 Ca 0.44 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.14 1b94 h SER 234 Cb 0.49 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1b94 h SER 234 CO -0.21 0.36 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.35 1b94 h GLU 235 N 0.18 0.74 -0.33 3.45 5.08 -1.91 -2.03 114.58 119.76 1b94 h GLU 235 Ca 0.07 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1b94 h GLU 235 Cb 0.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1b94 h GLU 235 CO -0.01 0.86 0.10 -0.92 -1.00 0.00 0.00 179.01 178.04 1b94 h TYR 236 N 0.66 0.54 -0.34 4.33 3.20 -0.66 -1.13 116.97 123.58 1b94 h TYR 236 Ca 0.10 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1b94 h TYR 236 Cb 0.64 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1b94 h TYR 236 CO 0.03 0.55 0.03 0.00 -1.64 0.00 0.00 178.16 177.14 1b94 h ARG 237 N 0.38 0.51 -0.13 1.82 3.08 -0.90 -1.41 114.38 117.74 1b94 h ARG 237 Ca 0.11 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1b94 h ARG 237 Cb 0.27 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1b94 h ARG 237 CO -0.00 0.51 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.47 1b94 h ASN 238 N 0.49 0.24 -0.58 7.04 2.35 -1.18 -0.68 115.58 123.26 1b94 h ASN 238 Ca 0.11 -0.36 0.10 0.00 -0.55 0.00 0.00 56.30 55.60 1b94 h ASN 238 Cb 0.27 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 38.49 1b94 h ASN 238 CO 0.00 0.54 0.15 -0.25 -1.65 0.00 0.00 177.43 176.23 1b94 h TRP 239 N -0.07 0.25 -0.20 1.19 7.01 -1.04 -0.84 115.95 122.25 1b94 h TRP 239 Ca 0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 1b94 h TRP 239 Cb 0.44 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 1b94 h TRP 239 CO 0.05 0.01 0.11 0.82 -2.79 0.00 0.00 178.44 176.64 1b94 h ILE 240 N 0.29 1.09 -0.96 2.65 1.08 -1.18 0.31 117.51 120.79 1b94 h ILE 240 Ca 0.30 -0.24 0.12 0.00 -0.39 0.00 0.00 64.86 64.65 1b94 h ILE 240 Cb 0.42 0.89 -0.08 0.00 -3.07 0.00 0.00 36.82 34.98 1b94 h ILE 240 CO -0.36 0.09 0.59 0.22 -0.69 0.00 0.00 178.15 178.00 1b94 h TYR 241 N 0.23 1.07 0.00 1.37 3.20 -0.09 -2.40 116.97 120.35 1b94 h TYR 241 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1b94 h TYR 241 Cb 0.04 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.98 1b94 h TYR 241 CO -0.04 0.42 0.00 0.54 -1.64 0.00 0.00 178.16 177.43 1b94 n ARG 242 N -4.66 0.01 0.00 1.82 1.74 -0.42 -4.88 116.66 110.28 1b94 n ARG 242 Ca 0.18 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1b94 n ARG 242 Cb 0.34 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1b94 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b94 n GLY 243 N 1.14 1.57 3.32 -0.13 0.00 -0.90 -4.64 105.19 105.55 1b94 n GLY 243 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1b94 n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b94 n ARG 244 N -0.48 -4.50 0.00 1.61 1.74 0.11 -5.00 116.66 110.14 1b94 n ARG 244 Ca 0.00 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1b94 n ARG 244 Cb 0.00 -5.80 0.00 0.00 -1.02 0.00 0.00 32.46 25.64 1b94 n ARG 244 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47