#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l96 s ASN 2 N 0.00 -0.25 0.45 6.12 2.20 -1.26 -5.04 114.94 117.17 1l96 s ASN 2 Ca 0.00 -0.61 0.15 0.00 -0.94 0.00 0.00 52.86 51.46 1l96 s ASN 2 Cb 0.00 0.66 1.09 0.00 -2.00 0.00 0.00 41.25 41.00 1l96 s ASN 2 CO 0.00 -1.23 2.00 -0.65 -2.94 0.00 0.00 177.10 174.28 1l96 h PRO 3 N 2.09 0.32 0.02 3.55 0.11 -1.98 0.96 132.00 137.07 1l96 h PRO 3 Ca -0.23 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 1l96 h PRO 3 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1l96 h PRO 3 CO 0.29 0.21 -0.01 0.74 -0.21 0.00 0.00 178.00 179.02 1l96 h PHE 4 N 0.33 -0.03 -0.75 0.65 -1.00 -1.99 -2.00 116.94 112.16 1l96 h PHE 4 Ca 0.24 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.02 1l96 h PHE 4 Cb 0.52 0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.06 1l96 h PHE 4 CO -0.00 0.60 0.46 0.93 -1.61 0.00 0.00 178.31 178.69 1l96 h GLU 5 N -0.68 1.01 0.01 1.51 5.08 -1.81 -0.03 114.58 119.67 1l96 h GLU 5 Ca -0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1l96 h GLU 5 Cb 0.64 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1l96 h GLU 5 CO 0.00 0.70 -0.01 1.98 -1.00 0.00 0.00 179.01 180.69 1l96 h MET 6 N 1.03 -0.02 -0.03 2.33 4.05 -0.83 -1.32 114.93 120.15 1l96 h MET 6 Ca 0.27 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.60 1l96 h MET 6 Cb -0.06 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1l96 h MET 6 CO -0.05 0.02 -0.43 -0.07 0.23 0.00 0.00 176.91 176.61 1l96 h LEU 7 N -0.05 0.06 -0.82 3.39 3.38 -1.11 -2.38 115.31 117.78 1l96 h LEU 7 Ca -0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1l96 h LEU 7 Cb 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1l96 h LEU 7 CO 0.00 0.49 0.25 -0.09 0.09 0.00 0.00 178.44 179.18 1l96 h ARG 8 N 0.05 1.12 -0.22 1.13 9.65 -0.77 0.39 114.38 125.73 1l96 h ARG 8 Ca 0.00 -0.22 -0.03 0.00 -1.10 0.00 0.00 59.98 58.63 1l96 h ARG 8 Cb 0.79 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1l96 h ARG 8 CO 0.06 0.94 0.01 0.82 2.80 0.00 0.00 179.97 184.60 1l96 h ILE 9 N 1.09 1.24 -0.41 1.20 2.04 -0.75 -1.18 117.51 120.74 1l96 h ILE 9 Ca 0.24 -0.83 -0.13 0.00 1.00 0.00 0.00 64.86 65.14 1l96 h ILE 9 Cb 0.27 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1l96 h ILE 9 CO -0.01 0.26 -0.25 0.44 0.00 0.00 0.00 178.15 178.59 1l96 h ASP 10 N 0.15 0.92 0.49 1.72 3.32 -1.38 -3.34 116.42 118.31 1l96 h ASP 10 Ca 0.06 -0.42 -0.27 0.00 0.02 0.00 0.00 57.03 56.43 1l96 h ASP 10 Cb 0.37 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 1l96 h ASP 10 CO 0.01 1.14 -1.70 -0.62 -1.72 0.00 0.00 179.24 176.35 1l96 n GLU 11 N -4.17 0.63 0.00 3.56 -0.58 0.12 -5.09 120.64 115.11 1l96 n GLU 11 Ca -0.01 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1l96 n GLU 11 Cb 0.46 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1l96 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1l96 n GLY 12 N 1.53 -1.24 2.73 0.62 0.00 -0.45 -4.57 105.19 103.82 1l96 n GLY 12 Ca -0.16 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 1l96 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1l96 s LEU 13 N 0.00 0.66 -0.05 0.99 2.96 -1.26 -4.35 118.68 117.63 1l96 s LEU 13 Ca 0.00 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 1l96 s LEU 13 Cb 0.00 -0.14 0.01 0.00 0.50 0.00 0.00 46.19 46.56 1l96 s LEU 13 CO 0.00 -0.18 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.62 1l96 s ARG 14 N 1.59 1.25 0.00 1.98 0.52 -0.25 -4.98 118.95 119.06 1l96 s ARG 14 Ca -0.02 -0.31 0.24 0.00 -0.52 0.00 0.00 55.73 55.12 1l96 s ARG 14 Cb -0.13 -1.11 0.35 0.00 0.52 0.00 0.00 34.95 34.59 1l96 s ARG 14 CO -0.03 0.03 1.31 1.28 0.02 0.00 0.00 175.30 177.91 1l96 n LEU 15 N 3.69 1.17 -4.58 2.53 4.77 -1.26 0.86 117.00 124.17 1l96 n LEU 15 Ca -0.22 -0.37 -0.30 0.00 -0.03 0.00 0.00 56.01 55.08 1l96 n LEU 15 Cb 0.52 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1l96 n LEU 15 CO 0.25 0.24 -0.41 -0.75 -1.33 0.00 0.00 177.39 175.38 1l96 s LYS 16 N -2.67 2.23 0.43 3.23 2.47 -1.26 -1.72 119.74 122.44 1l96 s LYS 16 Ca 0.18 -0.95 -0.25 0.00 -1.56 0.00 0.00 55.97 53.38 1l96 s LYS 16 Cb 0.18 -2.35 -0.10 0.00 -1.46 0.00 0.00 37.83 34.10 1l96 s LYS 16 CO 0.62 0.53 1.21 -0.89 0.16 0.00 0.00 175.35 176.98 1l96 n ILE 17 N 0.88 2.61 -4.27 5.43 5.41 -0.90 -4.66 119.36 123.86 1l96 n ILE 17 Ca -0.14 -0.50 -0.18 0.00 1.00 0.00 0.00 62.75 62.94 1l96 n ILE 17 Cb 0.52 -1.46 -0.09 0.00 -0.71 0.00 0.00 39.64 37.90 1l96 n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1l96 s TYR 18 N -1.22 1.61 -0.18 1.39 1.13 0.86 -4.93 117.35 116.00 1l96 s TYR 18 Ca 0.62 -1.58 -0.06 0.00 -1.41 0.00 0.00 57.07 54.64 1l96 s TYR 18 Cb -0.52 -0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 39.61 1l96 s TYR 18 CO 0.57 -0.79 0.04 0.15 -2.51 0.00 0.00 175.55 173.01 1l96 s LYS 19 N -3.64 3.86 0.54 -3.49 1.02 -1.26 -0.15 119.74 116.63 1l96 s LYS 19 Ca 0.40 -0.40 -0.09 0.00 0.02 0.00 0.00 55.97 55.89 1l96 s LYS 19 Cb 0.04 -3.15 0.13 0.00 -0.52 0.00 0.00 37.83 34.32 1l96 s LYS 19 CO 0.23 0.21 0.55 -0.40 -0.92 0.00 0.00 175.35 175.02 1l96 n ASP 20 N 3.72 -0.99 0.32 2.83 5.75 0.11 -4.78 116.55 123.51 1l96 n ASP 20 Ca -0.17 -0.95 0.20 0.00 -0.01 0.00 0.00 54.79 53.86 1l96 n ASP 20 Cb 0.52 -0.48 1.11 0.00 -1.03 0.00 0.00 41.12 41.25 1l96 n ASP 20 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1l96 h THR 21 N -1.84 0.19 -0.02 2.12 1.35 -1.99 -0.38 112.91 112.34 1l96 h THR 21 Ca -0.20 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1l96 h THR 21 Cb 0.58 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1l96 h THR 21 CO 0.13 0.00 -0.04 -0.62 -0.25 0.00 0.00 175.52 174.75 1l96 n GLU 22 N -3.36 1.84 -1.45 4.72 -0.58 -1.26 -4.93 120.64 115.62 1l96 n GLU 22 Ca -0.03 -1.29 0.00 0.00 -0.42 0.00 0.00 57.16 55.42 1l96 n GLU 22 Cb 0.08 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1l96 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1l96 n GLY 23 N 1.26 0.60 3.81 0.62 0.00 -0.15 -5.07 105.19 106.26 1l96 n GLY 23 Ca 0.16 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 1l96 n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1l96 s TYR 24 N -2.00 3.30 0.03 1.61 2.02 -1.26 -4.72 117.35 116.33 1l96 s TYR 24 Ca 0.00 0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.56 1l96 s TYR 24 Cb 0.00 -1.69 -0.07 0.00 -0.40 0.00 0.00 41.96 39.80 1l96 s TYR 24 CO 0.00 0.55 1.59 0.71 -1.57 0.00 0.00 175.55 176.83 1l96 s TYR 25 N -1.36 2.42 0.23 2.71 2.02 -1.22 0.06 117.35 122.21 1l96 s TYR 25 Ca 0.29 0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 57.36 1l96 s TYR 25 Cb -0.12 -3.88 -0.03 0.00 -0.40 0.00 0.00 41.96 37.52 1l96 s TYR 25 CO 0.21 -3.54 0.24 0.99 -1.57 0.00 0.00 175.55 171.89 1l96 s THR 26 N 2.89 0.00 0.15 -0.71 2.01 0.79 0.30 115.64 121.07 1l96 s THR 26 Ca 0.71 -1.83 -0.22 0.00 0.31 0.00 0.00 61.69 60.66 1l96 s THR 26 Cb -0.36 -2.43 0.06 0.00 0.01 0.00 0.00 72.50 69.78 1l96 s THR 26 CO 0.30 0.00 0.56 -0.51 -0.69 0.00 0.00 174.62 174.29 1l96 s ILE 27 N -4.03 0.01 0.00 1.82 2.07 -0.94 -0.10 121.20 120.03 1l96 s ILE 27 Ca 0.35 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.48 1l96 s ILE 27 Cb 0.04 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 41.60 1l96 s ILE 27 CO 0.13 -0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 1l96 n GLY 28 N -0.35 2.39 3.09 1.50 0.00 0.25 -2.53 105.19 109.54 1l96 n GLY 28 Ca -0.17 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1l96 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1l96 n ILE 29 N 0.00 5.07 -1.76 -0.61 5.41 -1.26 -1.09 119.36 125.12 1l96 n ILE 29 Ca 0.00 -5.77 -0.11 0.00 1.00 0.00 0.00 62.75 57.87 1l96 n ILE 29 Cb 0.00 -2.22 -0.03 0.00 -0.71 0.00 0.00 39.64 36.68 1l96 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1l96 n GLY 30 N 1.70 0.60 3.51 7.39 0.00 -1.25 -4.91 105.19 112.23 1l96 n GLY 30 Ca 0.25 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1l96 n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1l96 s HIS 31 N -2.49 2.47 0.25 1.61 5.04 -1.05 -4.94 115.29 116.18 1l96 s HIS 31 Ca 0.00 -0.32 -0.31 0.00 -1.54 0.00 0.00 55.06 52.90 1l96 s HIS 31 Cb 0.00 -4.49 -0.11 0.00 0.04 0.00 0.00 32.58 28.02 1l96 s HIS 31 CO 0.00 -1.89 1.63 -1.17 -2.34 0.00 0.00 174.74 170.97 1l96 s LEU 32 N 4.97 4.36 -0.22 8.88 2.96 -1.26 -2.21 118.68 136.16 1l96 s LEU 32 Ca 0.30 2.88 -0.20 0.00 -0.22 0.00 0.00 54.13 56.89 1l96 s LEU 32 Cb -0.11 -3.62 -0.17 0.00 0.50 0.00 0.00 46.19 42.79 1l96 s LEU 32 CO 0.11 -0.91 0.11 0.18 -1.32 0.00 0.00 176.35 174.52 1l96 n LEU 33 N 2.95 1.87 -3.49 -0.68 4.77 0.15 -4.94 117.00 117.63 1l96 n LEU 33 Ca 0.11 0.42 -0.15 0.00 -0.03 0.00 0.00 56.01 56.36 1l96 n LEU 33 Cb 0.37 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.48 1l96 n LEU 33 CO 0.63 0.30 0.48 0.28 -1.33 0.00 0.00 177.39 177.74 1l96 s THR 34 N -2.38 0.00 -2.63 -5.08 -1.32 -1.17 -4.91 115.64 98.15 1l96 s THR 34 Ca -0.30 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.44 1l96 s THR 34 Cb 0.07 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.48 1l96 s THR 34 CO 0.56 0.00 1.54 0.29 -2.21 0.00 0.00 174.62 174.80 1l96 n LYS 35 N 0.42 1.95 -2.85 7.08 5.02 -1.26 -3.37 118.16 125.15 1l96 n LYS 35 Ca -0.17 -1.38 -0.37 0.00 -2.02 0.00 0.00 58.31 54.37 1l96 n LYS 35 Cb 0.60 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 1l96 n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1l96 s SER 36 N -1.91 7.30 0.40 4.39 0.15 -1.26 -4.95 113.70 117.82 1l96 s SER 36 Ca 0.34 1.76 0.29 0.00 0.70 0.00 0.00 55.95 59.03 1l96 s SER 36 Cb 0.20 -2.55 1.23 0.00 -1.71 0.00 0.00 66.02 63.20 1l96 s SER 36 CO 0.31 -0.03 1.85 -0.65 1.20 0.00 0.00 173.24 175.93 1l96 h PRO 37 N 3.30 0.00 -6.17 5.44 0.11 -1.95 -3.44 132.00 129.30 1l96 h PRO 37 Ca -0.47 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.07 1l96 h PRO 37 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1l96 h PRO 37 CO 0.65 0.00 0.84 0.45 -0.21 0.00 0.00 178.00 179.73 1l96 s SER 38 N -4.84 7.01 0.40 -2.05 0.15 -1.26 -4.89 113.70 108.23 1l96 s SER 38 Ca 0.02 1.32 0.07 0.00 0.70 0.00 0.00 55.95 58.07 1l96 s SER 38 Cb 0.09 -2.54 0.83 0.00 -1.71 0.00 0.00 66.02 62.69 1l96 s SER 38 CO 0.44 -0.76 2.03 0.25 1.20 0.00 0.00 173.24 176.39 1l96 h LEU 39 N 9.74 0.44 -0.22 3.45 5.85 -2.00 -1.65 115.31 130.92 1l96 h LEU 39 Ca -0.21 -0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.32 1l96 h LEU 39 Cb 1.07 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1l96 h LEU 39 CO 1.00 0.37 -0.52 0.78 -0.34 0.00 0.00 178.44 179.72 1l96 h ASN 40 N 0.51 0.84 -0.48 1.25 2.35 -1.97 -1.68 115.58 116.39 1l96 h ASN 40 Ca 0.13 -0.56 0.06 0.00 -0.55 0.00 0.00 56.30 55.37 1l96 h ASN 40 Cb 0.02 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1l96 h ASN 40 CO -0.02 1.25 0.32 0.00 -1.65 0.00 0.00 177.43 177.33 1l96 h ALA 41 N 0.61 1.90 0.04 -0.83 0.00 -1.71 -1.68 119.26 117.59 1l96 h ALA 41 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1l96 h ALA 41 Cb 1.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1l96 h ALA 41 CO 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 179.25 179.36 1l96 h ALA 42 N 1.74 -0.05 -0.77 0.00 0.00 -1.21 -2.54 119.26 116.43 1l96 h ALA 42 Ca 0.21 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1l96 h ALA 42 Cb 0.27 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1l96 h ALA 42 CO -0.05 -0.27 0.51 0.87 0.00 0.00 0.00 179.25 180.31 1l96 h LYS 43 N -0.58 0.62 -0.02 0.00 1.57 -1.05 0.52 116.57 117.63 1l96 h LYS 43 Ca -0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1l96 h LYS 43 Cb 0.52 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1l96 h LYS 43 CO 0.01 0.41 0.00 1.03 -0.57 0.00 0.00 179.45 180.33 1l96 h SER 44 N 0.64 0.03 -0.63 0.86 0.87 -1.33 -1.92 113.55 112.07 1l96 h SER 44 Ca 0.36 -0.27 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1l96 h SER 44 Cb 0.54 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 1l96 h SER 44 CO -0.14 0.29 0.37 -0.33 -0.53 0.00 0.00 176.83 176.50 1l96 h GLU 45 N -0.23 0.69 -0.23 2.24 4.39 -0.96 -1.12 114.58 119.36 1l96 h GLU 45 Ca 0.01 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.72 1l96 h GLU 45 Cb 0.27 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 1l96 h GLU 45 CO 0.00 0.46 -0.19 1.25 -1.16 0.00 0.00 179.01 179.37 1l96 h LEU 46 N 0.72 -0.61 -0.99 1.33 5.85 0.33 -0.92 115.31 121.01 1l96 h LEU 46 Ca 0.27 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 1l96 h LEU 46 Cb 0.09 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1l96 h LEU 46 CO -0.13 -0.23 0.14 0.44 -0.34 0.00 0.00 178.44 178.31 1l96 h ASP 47 N -0.19 0.81 0.54 1.25 3.32 -0.94 -0.46 116.42 120.76 1l96 h ASP 47 Ca 0.13 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1l96 h ASP 47 Cb 0.39 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1l96 h ASP 47 CO -0.35 0.79 -0.59 0.50 -1.72 0.00 0.00 179.24 177.88 1l96 h LYS 48 N 0.84 0.04 -0.40 3.56 3.64 -0.97 -0.43 116.57 122.85 1l96 h LYS 48 Ca 0.18 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 1l96 h LYS 48 Cb 0.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1l96 h LYS 48 CO -0.00 0.62 -0.35 0.00 -2.27 0.00 0.00 179.45 177.44 1l96 h ALA 49 N 1.37 0.61 0.03 5.00 0.00 0.29 -3.33 119.26 123.23 1l96 h ALA 49 Ca -0.01 -0.44 -0.29 0.00 0.00 0.00 0.00 54.91 54.17 1l96 h ALA 49 Cb 1.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1l96 h ALA 49 CO 0.08 0.68 -1.61 0.82 0.00 0.00 0.00 179.25 179.21 1l96 h ILE 50 N 0.78 0.99 0.00 0.00 1.08 -1.19 -3.50 117.51 115.67 1l96 h ILE 50 Ca 0.07 -2.78 0.00 0.00 -0.39 0.00 0.00 64.86 61.76 1l96 h ILE 50 Cb 0.94 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 37.24 1l96 h ILE 50 CO 0.09 0.66 0.00 0.61 -0.69 0.00 0.00 178.15 178.81 1l96 n GLY 51 N 1.59 0.72 3.58 5.37 0.00 -0.17 -5.06 105.19 111.22 1l96 n GLY 51 Ca -0.16 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1l96 n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1l96 s ARG 52 N -2.07 1.53 -0.44 1.61 1.70 -1.22 -5.07 118.95 115.00 1l96 s ARG 52 Ca 0.00 -1.23 -0.24 0.00 -0.47 0.00 0.00 55.73 53.79 1l96 s ARG 52 Cb 0.00 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 1l96 s ARG 52 CO 0.00 -0.64 0.85 -0.80 -1.08 0.00 0.00 175.30 173.63 1l96 s ASN 53 N -3.01 6.47 -0.07 -2.89 -0.87 -1.26 -4.41 114.94 108.91 1l96 s ASN 53 Ca 0.21 0.05 0.12 0.00 -1.57 0.00 0.00 52.86 51.68 1l96 s ASN 53 Cb -0.01 -2.42 -0.23 0.00 -0.02 0.00 0.00 41.25 38.57 1l96 s ASN 53 CO 0.08 -0.95 0.58 0.00 -2.57 0.00 0.00 177.10 174.24 1l96 n ASN 55 N -3.03 -6.15 -0.57 0.00 5.15 -1.26 -2.73 115.26 106.66 1l96 n ASN 55 Ca -0.19 -0.49 -0.07 0.00 -0.60 0.00 0.00 54.58 53.22 1l96 n ASN 55 Cb 1.06 -4.88 -0.03 0.00 -0.53 0.00 0.00 39.78 35.40 1l96 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1l96 n GLY 56 N -1.84 0.89 3.04 8.20 0.00 -1.26 -4.99 105.19 109.23 1l96 n GLY 56 Ca -0.02 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1l96 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l96 s VAL 57 N -2.04 0.81 0.30 1.61 1.01 -1.11 -2.11 120.40 118.87 1l96 s VAL 57 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1l96 s VAL 57 Cb 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1l96 s VAL 57 CO 0.00 0.23 0.10 0.27 0.00 0.00 0.00 175.10 175.70 1l96 s ILE 58 N -0.24 0.68 0.32 2.22 -4.36 -0.70 -4.71 121.20 114.41 1l96 s ILE 58 Ca 0.04 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.48 1l96 s ILE 58 Cb -0.04 -2.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 1l96 s ILE 58 CO -0.00 0.00 0.47 0.42 0.24 0.00 0.00 174.94 176.06 1l96 s THR 59 N -3.56 4.48 0.23 8.37 -4.23 -1.26 -4.81 115.64 114.86 1l96 s THR 59 Ca 0.36 -0.90 -0.06 0.00 -1.18 0.00 0.00 61.69 59.91 1l96 s THR 59 Cb 0.07 -3.58 0.20 0.00 1.34 0.00 0.00 72.50 70.53 1l96 s THR 59 CO 0.15 -0.26 1.75 0.50 -0.54 0.00 0.00 174.62 176.22 1l96 h LYS 60 N 0.90 0.48 -0.56 3.99 3.64 -1.99 -0.14 116.57 122.89 1l96 h LYS 60 Ca -0.48 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1l96 h LYS 60 Cb 1.25 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1l96 h LYS 60 CO 0.56 0.32 0.37 -0.44 -2.27 0.00 0.00 179.45 177.99 1l96 h ASP 61 N 0.49 0.63 -0.66 4.20 5.19 -1.99 -0.11 116.42 124.17 1l96 h ASP 61 Ca 0.38 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.70 1l96 h ASP 61 Cb 0.52 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 1l96 h ASP 61 CO -0.35 0.45 0.09 -0.33 -3.12 0.00 0.00 179.24 175.99 1l96 h GLU 62 N 0.75 1.11 -0.54 3.56 5.08 -1.70 -1.66 114.58 121.17 1l96 h GLU 62 Ca 0.21 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1l96 h GLU 62 Cb -0.07 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1l96 h GLU 62 CO -0.05 1.02 0.19 0.00 -1.00 0.00 0.00 179.01 179.17 1l96 h ALA 63 N 1.06 0.70 -0.08 3.43 0.00 -0.22 -2.62 119.26 121.53 1l96 h ALA 63 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1l96 h ALA 63 Cb 0.46 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1l96 h ALA 63 CO 0.02 0.34 0.03 0.93 0.00 0.00 0.00 179.25 180.57 1l96 h GLU 64 N 0.74 0.10 0.01 0.00 5.08 -0.91 0.28 114.58 119.88 1l96 h GLU 64 Ca 0.18 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1l96 h GLU 64 Cb 0.24 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1l96 h GLU 64 CO -0.01 0.09 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.87 1l96 h LYS 65 N 0.11 -0.01 -0.77 2.33 3.64 -1.01 0.65 116.57 121.51 1l96 h LYS 65 Ca 0.03 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1l96 h LYS 65 Cb 0.02 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1l96 h LYS 65 CO -0.00 0.69 0.50 -0.07 -2.27 0.00 0.00 179.45 178.30 1l96 h LEU 66 N -0.72 0.71 0.25 5.20 3.38 -1.19 -1.38 115.31 121.56 1l96 h LEU 66 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1l96 h LEU 66 Cb 0.70 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1l96 h LEU 66 CO 0.00 0.45 -0.12 0.15 0.09 0.00 0.00 178.44 179.01 1l96 h PHE 67 N 0.80 -0.31 -0.94 1.13 3.57 -0.67 0.18 116.94 120.71 1l96 h PHE 67 Ca 0.34 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.98 1l96 h PHE 67 Cb 0.28 0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.03 1l96 h PHE 67 CO -0.00 -0.12 0.55 -0.91 -2.23 0.00 0.00 178.31 175.60 1l96 h ASN 68 N -0.42 0.73 -0.35 0.41 2.35 -0.50 -0.90 115.58 116.89 1l96 h ASN 68 Ca -0.03 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1l96 h ASN 68 Cb 0.32 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1l96 h ASN 68 CO 0.06 0.33 0.13 1.56 -1.65 0.00 0.00 177.43 177.85 1l96 h GLN 69 N 0.78 0.53 -0.95 0.81 4.20 -0.39 -2.86 115.11 117.24 1l96 h GLN 69 Ca 0.50 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 59.14 1l96 h GLN 69 Cb 0.66 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 1l96 h GLN 69 CO -0.33 0.53 0.63 -0.44 -0.67 0.00 0.00 178.83 178.54 1l96 h ASP 70 N 0.42 1.06 -0.45 1.46 3.32 0.51 -0.48 116.42 122.27 1l96 h ASP 70 Ca 0.12 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1l96 h ASP 70 Cb 0.21 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1l96 h ASP 70 CO -0.01 0.75 0.04 0.58 -1.72 0.00 0.00 179.24 178.88 1l96 h VAL 71 N 1.25 1.25 -0.54 -1.35 2.07 -1.19 -0.62 116.25 117.12 1l96 h VAL 71 Ca 0.36 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1l96 h VAL 71 Cb -0.07 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1l96 h VAL 71 CO -0.10 0.33 0.15 -0.78 0.02 0.00 0.00 177.57 177.20 1l96 h ASP 72 N 0.62 0.80 -0.53 0.57 3.58 -1.39 0.85 116.42 120.92 1l96 h ASP 72 Ca 0.13 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.33 1l96 h ASP 72 Cb 0.43 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 1l96 h ASP 72 CO 0.01 0.81 0.19 0.00 -2.88 0.00 0.00 179.24 177.38 1l96 h ALA 73 N 1.02 0.70 0.24 -0.78 0.00 -0.85 0.46 119.26 120.05 1l96 h ALA 73 Ca 0.17 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1l96 h ALA 73 Cb 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1l96 h ALA 73 CO -0.00 0.33 -0.30 0.00 0.00 0.00 0.00 179.25 179.28 1l96 h ALA 74 N 1.05 -0.60 -0.47 0.00 0.00 -0.41 0.26 119.26 119.09 1l96 h ALA 74 Ca 0.18 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1l96 h ALA 74 Cb 0.23 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1l96 h ALA 74 CO -0.01 -0.88 0.12 0.28 0.00 0.00 0.00 179.25 178.76 1l96 h VAL 75 N -0.60 0.78 -0.23 0.00 2.07 -0.69 -1.36 116.25 116.22 1l96 h VAL 75 Ca 0.00 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1l96 h VAL 75 Cb 0.57 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1l96 h VAL 75 CO -0.10 0.05 -0.16 0.03 0.02 0.00 0.00 177.57 177.41 1l96 h ARG 76 N 0.27 0.39 0.00 1.57 3.08 -0.64 -0.90 114.38 118.14 1l96 h ARG 76 Ca 0.23 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 1l96 h ARG 76 Cb 0.27 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1l96 h ARG 76 CO -0.27 0.55 -0.69 0.78 -1.07 0.00 0.00 179.97 179.27 1l96 h GLY 77 N 0.91 0.00 0.96 0.04 0.00 0.45 -1.05 103.07 104.38 1l96 h GLY 77 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1l96 h GLY 77 CO 0.03 0.00 -0.09 -2.22 0.00 0.00 0.00 176.54 174.26 1l96 h ILE 78 N 0.00 0.83 0.00 2.60 2.04 -0.91 -1.42 117.51 120.65 1l96 h ILE 78 Ca -0.01 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1l96 h ILE 78 Cb 1.38 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1l96 h ILE 78 CO 0.09 0.02 -0.02 -0.07 0.00 0.00 0.00 178.15 178.17 1l96 h LEU 79 N -0.31 0.00 0.00 1.44 3.38 -1.05 -2.04 115.31 116.74 1l96 h LEU 79 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1l96 h LEU 79 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1l96 h LEU 79 CO 0.04 0.02 -0.48 0.54 0.09 0.00 0.00 178.44 178.65 1l96 n ARG 80 N -4.47 0.18 -3.20 1.13 1.74 -0.41 -4.76 116.66 106.87 1l96 n ARG 80 Ca -0.03 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 1l96 n ARG 80 Cb 0.11 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 29.86 1l96 n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1l96 s ASN 81 N -3.79 6.53 0.62 0.55 3.84 -0.57 -4.95 114.94 117.18 1l96 s ASN 81 Ca 0.09 0.64 0.32 0.00 0.21 0.00 0.00 52.86 54.12 1l96 s ASN 81 Cb 0.15 -2.30 1.77 0.00 -0.55 0.00 0.00 41.25 40.31 1l96 s ASN 81 CO 0.69 -0.27 2.08 0.00 -2.79 0.00 0.00 177.10 176.80 1l96 h ALA 82 N 7.75 1.58 0.02 1.71 0.00 -1.89 -0.65 119.26 127.77 1l96 h ALA 82 Ca -0.30 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.29 1l96 h ALA 82 Cb 1.14 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1l96 h ALA 82 CO 0.74 -0.30 -1.88 1.63 0.00 0.00 0.00 179.25 179.44 1l96 n LYS 83 N -3.41 0.66 0.09 0.00 4.01 -1.26 -4.46 118.16 113.78 1l96 n LYS 83 Ca 0.01 0.24 -0.20 0.00 -0.51 0.00 0.00 58.31 57.84 1l96 n LYS 83 Cb 0.33 -1.73 -0.15 0.00 -0.51 0.00 0.00 35.03 32.97 1l96 n LYS 83 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1l96 h LEU 84 N 0.01 0.55 -0.37 -0.35 3.38 -1.52 -3.39 115.31 113.62 1l96 h LEU 84 Ca -0.36 -0.72 0.07 0.00 0.09 0.00 0.00 57.88 56.97 1l96 h LEU 84 Cb 2.05 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.55 1l96 h LEU 84 CO 0.07 1.59 -0.08 0.50 0.09 0.00 0.00 178.44 180.61 1l96 h LYS 85 N 0.10 0.02 -0.54 1.13 3.64 -1.04 -2.20 116.57 117.67 1l96 h LYS 85 Ca -0.27 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1l96 h LYS 85 Cb 2.07 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.86 1l96 h LYS 85 CO 0.19 0.01 0.25 -1.35 -2.27 0.00 0.00 179.45 176.28 1l96 h PRO 86 N 0.02 0.76 0.29 1.90 0.11 -1.81 -0.59 132.00 132.68 1l96 h PRO 86 Ca 0.18 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1l96 h PRO 86 Cb 0.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1l96 h PRO 86 CO -0.37 0.60 -0.14 0.28 -0.21 0.00 0.00 178.00 178.16 1l96 h VAL 87 N 0.76 0.74 -0.57 3.15 2.07 -1.62 -2.02 116.25 118.75 1l96 h VAL 87 Ca 0.19 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.32 1l96 h VAL 87 Cb 0.10 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.79 1l96 h VAL 87 CO -0.02 0.10 0.14 0.22 0.02 0.00 0.00 177.57 178.03 1l96 h TYR 88 N -0.66 0.23 -0.01 1.57 3.20 -1.31 -0.81 116.97 119.18 1l96 h TYR 88 Ca -0.04 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1l96 h TYR 88 Cb 0.46 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1l96 h TYR 88 CO 0.01 0.01 -0.23 -0.44 -1.64 0.00 0.00 178.16 175.86 1l96 h ASP 89 N 0.29 0.02 1.34 -2.11 3.32 -1.06 -2.60 116.42 115.61 1l96 h ASP 89 Ca 0.29 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.22 1l96 h ASP 89 Cb 0.41 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1l96 h ASP 89 CO -0.36 0.26 -0.56 0.77 -1.72 0.00 0.00 179.24 177.63 1l96 h SER 90 N 0.02 0.00 -4.29 6.45 4.64 -0.42 -3.47 113.55 116.48 1l96 h SER 90 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1l96 h SER 90 Cb 0.42 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.59 1l96 h SER 90 CO 0.03 0.56 0.38 -0.76 -0.87 0.00 0.00 176.83 176.17 1l96 s LEU 91 N -6.58 3.28 0.91 5.97 1.43 -0.60 -5.07 118.68 118.01 1l96 s LEU 91 Ca 0.03 1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 1l96 s LEU 91 Cb 0.08 -4.50 0.14 0.00 0.03 0.00 0.00 46.19 41.94 1l96 s LEU 91 CO 0.75 -1.22 1.19 1.51 0.23 0.00 0.00 176.35 178.80 1l96 s ASP 92 N -3.55 3.59 0.23 2.29 -4.77 -1.26 -4.78 116.67 108.42 1l96 s ASP 92 Ca 0.59 0.74 -0.07 0.00 -3.30 0.00 0.00 52.55 50.52 1l96 s ASP 92 Cb -0.14 -1.17 0.35 0.00 -1.09 0.00 0.00 42.92 40.87 1l96 s ASP 92 CO 0.49 -2.48 1.78 0.00 0.70 0.00 0.00 175.17 175.66 1l96 h ALA 93 N -1.45 1.00 0.06 2.11 0.00 -1.97 -0.14 119.26 118.87 1l96 h ALA 93 Ca -0.47 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1l96 h ALA 93 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1l96 h ALA 93 CO 0.57 -0.04 -0.03 0.28 0.00 0.00 0.00 179.25 180.03 1l96 h VAL 94 N 0.61 1.14 0.00 0.00 2.07 -1.93 -3.12 116.25 115.01 1l96 h VAL 94 Ca 0.36 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1l96 h VAL 94 Cb 0.38 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1l96 h VAL 94 CO -0.27 0.17 -0.03 0.03 0.02 0.00 0.00 177.57 177.49 1l96 h ARG 95 N -0.38 0.00 -0.94 1.57 3.08 -1.81 -0.62 114.38 115.28 1l96 h ARG 95 Ca -0.01 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1l96 h ARG 95 Cb 0.34 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1l96 h ARG 95 CO 0.01 0.03 0.62 0.00 -1.07 0.00 0.00 179.97 179.56 1l96 h ARG 96 N 0.00 1.20 -0.97 0.04 3.08 -0.96 -1.95 114.38 114.82 1l96 h ARG 96 Ca -0.00 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.06 1l96 h ARG 96 Cb 0.05 -0.27 -0.07 0.00 0.08 0.00 0.00 29.97 29.76 1l96 h ARG 96 CO 0.00 0.80 0.62 0.00 -1.07 0.00 0.00 179.97 180.32 1l96 h ALA 98 N 1.49 0.97 -0.05 0.00 0.00 -1.27 -0.08 119.26 120.31 1l96 h ALA 98 Ca 0.43 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1l96 h ALA 98 Cb 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1l96 h ALA 98 CO -0.18 0.61 -0.62 1.25 0.00 0.00 0.00 179.25 180.31 1l96 h LEU 99 N 0.75 0.23 -0.57 0.00 5.85 -1.21 -2.03 115.31 118.32 1l96 h LEU 99 Ca 0.13 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1l96 h LEU 99 Cb 0.59 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1l96 h LEU 99 CO 0.04 0.79 0.15 0.40 -0.34 0.00 0.00 178.44 179.47 1l96 h ILE 100 N 0.14 1.25 -0.46 4.05 2.04 -0.88 -1.64 117.51 122.01 1l96 h ILE 100 Ca -0.01 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1l96 h ILE 100 Cb 1.12 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1l96 h ILE 100 CO 0.09 0.32 0.26 -1.13 0.00 0.00 0.00 178.15 177.69 1l96 h ASN 101 N 0.81 0.41 -0.73 1.72 -0.73 -0.72 -0.59 115.58 115.75 1l96 h ASN 101 Ca 0.18 0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.30 1l96 h ASN 101 Cb 0.33 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 1l96 h ASN 101 CO -0.00 0.29 0.23 0.24 -0.37 0.00 0.00 177.43 177.82 1l96 h MET 102 N 0.52 1.14 -0.46 6.67 2.86 -1.07 -2.64 114.93 121.95 1l96 h MET 102 Ca 0.19 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1l96 h MET 102 Cb 0.04 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1l96 h MET 102 CO -0.10 0.96 0.26 0.28 1.06 0.00 0.00 176.91 179.37 1l96 h VAL 103 N 1.09 1.16 -0.45 -2.22 2.07 -0.89 0.21 116.25 117.23 1l96 h VAL 103 Ca 0.24 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1l96 h VAL 103 Cb 0.30 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1l96 h VAL 103 CO -0.01 0.17 0.19 0.15 0.02 0.00 0.00 177.57 178.08 1l96 h PHE 104 N 0.60 0.34 -0.01 1.57 3.04 -0.93 0.51 116.94 122.06 1l96 h PHE 104 Ca 0.16 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 1l96 h PHE 104 Cb 0.04 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.46 1l96 h PHE 104 CO -0.02 0.15 -0.02 0.37 -2.02 0.00 0.00 178.31 176.76 1l96 h GLN 105 N 0.38 0.03 -0.01 1.11 4.15 -1.32 -3.38 115.11 116.07 1l96 h GLN 105 Ca 0.20 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1l96 h GLN 105 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1l96 h GLN 105 CO -0.18 0.55 -0.04 0.00 -1.93 0.00 0.00 178.83 177.23 1l96 n MET 106 N -4.81 0.94 -0.11 1.69 0.00 0.74 -5.09 117.12 110.47 1l96 n MET 106 Ca -0.08 -1.14 0.01 0.00 0.00 0.00 0.00 57.70 56.48 1l96 n MET 106 Cb 0.28 -1.22 -0.00 0.00 0.00 0.00 0.00 33.22 32.27 1l96 n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1l96 n GLY 107 N 0.74 -2.79 0.19 3.17 0.00 0.18 -3.65 105.19 103.04 1l96 n GLY 107 Ca 0.07 -1.34 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 1l96 n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1l96 h GLU 108 N -0.04 0.21 0.01 1.61 4.81 -1.91 -2.15 114.58 117.12 1l96 h GLU 108 Ca -0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1l96 h GLU 108 Cb 0.09 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1l96 h GLU 108 CO 0.00 0.14 -0.01 1.15 -0.73 0.00 0.00 179.01 179.56 1l96 h THR 109 N 0.21 0.99 -0.24 0.32 2.02 -1.95 -1.66 112.91 112.60 1l96 h THR 109 Ca 0.23 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.47 1l96 h THR 109 Cb 0.31 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 1l96 h THR 109 CO -0.32 0.00 -0.22 1.23 0.37 0.00 0.00 175.52 176.59 1l96 h GLY 110 N -0.02 -0.10 1.00 2.16 0.00 -1.54 -2.65 103.07 101.92 1l96 h GLY 110 Ca -0.00 0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 1l96 h GLY 110 CO 0.00 -0.19 0.18 -2.08 0.00 0.00 0.00 176.54 174.46 1l96 h VAL 111 N -0.22 1.24 -0.18 4.60 2.07 -1.28 -1.53 116.25 120.96 1l96 h VAL 111 Ca 0.14 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.90 1l96 h VAL 111 Cb 0.43 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1l96 h VAL 111 CO -0.37 0.31 0.27 0.00 0.02 0.00 0.00 177.57 177.80 1l96 h ALA 112 N 1.05 1.69 -0.00 1.67 0.00 -1.02 -0.92 119.26 121.72 1l96 h ALA 112 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1l96 h ALA 112 Cb 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1l96 h ALA 112 CO -0.01 -0.36 -0.18 0.78 0.00 0.00 0.00 179.25 179.48 1l96 h GLY 113 N 0.00 0.01 -4.59 0.00 0.00 -0.93 -3.29 103.07 94.26 1l96 h GLY 113 Ca 0.08 -0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.14 1l96 h GLY 113 CO -0.00 0.00 0.99 0.69 0.00 0.00 0.00 176.54 178.22 1l96 n PHE 114 N -4.33 0.63 -0.29 5.60 3.01 -0.35 -4.72 117.46 117.01 1l96 n PHE 114 Ca -0.02 -1.60 -0.08 0.00 1.01 0.00 0.00 57.45 56.76 1l96 n PHE 114 Cb 0.24 -1.56 -0.04 0.00 -0.01 0.00 0.00 39.48 38.11 1l96 n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1l96 h THR 115 N 2.59 0.04 -0.41 4.37 2.02 -1.81 0.29 112.91 119.99 1l96 h THR 115 Ca 0.32 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 1l96 h THR 115 Cb 0.83 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1l96 h THR 115 CO 0.75 0.00 0.19 0.78 0.37 0.00 0.00 175.52 177.60 1l96 h ASN 116 N -0.13 0.55 -0.66 4.18 2.35 -1.94 -2.36 115.58 117.56 1l96 h ASN 116 Ca 0.20 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1l96 h ASN 116 Cb 0.54 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1l96 h ASN 116 CO -0.81 0.54 0.23 0.28 -1.65 0.00 0.00 177.43 176.02 1l96 h SER 117 N 0.53 0.97 -0.66 5.81 0.02 -1.82 -2.13 113.55 116.26 1l96 h SER 117 Ca 0.14 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1l96 h SER 117 Cb 0.14 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1l96 h SER 117 CO -0.02 0.89 0.43 -0.07 -1.14 0.00 0.00 176.83 176.92 1l96 h LEU 118 N 1.01 0.77 -0.73 5.07 3.38 -0.84 -0.18 115.31 123.78 1l96 h LEU 118 Ca 0.22 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1l96 h LEU 118 Cb 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1l96 h LEU 118 CO -0.01 0.57 0.25 -0.09 0.09 0.00 0.00 178.44 179.25 1l96 h ARG 119 N 0.89 1.13 -0.34 1.13 2.43 -1.09 -1.11 114.38 117.42 1l96 h ARG 119 Ca 0.24 -0.23 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1l96 h ARG 119 Cb -0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1l96 h ARG 119 CO -0.05 0.95 -0.30 0.52 -1.51 0.00 0.00 179.97 179.57 1l96 h MET 120 N 1.08 0.72 -0.22 0.20 2.86 -1.13 -0.28 114.93 118.16 1l96 h MET 120 Ca 0.24 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1l96 h MET 120 Cb 0.27 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1l96 h MET 120 CO -0.01 0.93 -0.12 -0.07 1.06 0.00 0.00 176.91 178.70 1l96 h LEU 121 N 0.61 0.48 -1.77 1.22 3.38 -0.75 0.28 115.31 118.77 1l96 h LEU 121 Ca 0.07 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1l96 h LEU 121 Cb 0.82 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1l96 h LEU 121 CO 0.07 0.80 0.25 -0.61 0.09 0.00 0.00 178.44 179.04 1l96 h GLN 122 N 0.16 0.29 -0.03 1.13 4.15 -1.06 0.13 115.11 119.88 1l96 h GLN 122 Ca 0.05 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1l96 h GLN 122 Cb 0.63 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1l96 h GLN 122 CO 0.04 0.19 0.00 1.04 -1.93 0.00 0.00 178.83 178.17 1l96 n GLN 123 N -4.48 1.46 -2.37 1.69 6.02 -0.13 -4.90 117.38 114.68 1l96 n GLN 123 Ca 0.04 -0.67 -0.16 0.00 -0.01 0.00 0.00 57.00 56.19 1l96 n GLN 123 Cb 0.23 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 30.01 1l96 n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1l96 n LYS 124 N -0.17 -1.57 -3.07 -1.09 5.02 0.46 -4.94 118.16 112.79 1l96 n LYS 124 Ca 0.20 0.78 -0.44 0.00 -2.02 0.00 0.00 58.31 56.83 1l96 n LYS 124 Cb 0.27 -5.19 -0.00 0.00 -0.02 0.00 0.00 35.03 30.09 1l96 n LYS 124 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1l96 s ARG 125 N -4.88 4.08 0.11 1.97 0.52 -0.02 -4.90 118.95 115.84 1l96 s ARG 125 Ca 0.03 -2.72 -0.27 0.00 -0.52 0.00 0.00 55.73 52.25 1l96 s ARG 125 Cb -0.01 -4.89 -0.08 0.00 0.52 0.00 0.00 34.95 30.48 1l96 s ARG 125 CO 0.03 -1.60 1.64 -1.49 0.02 0.00 0.00 175.30 173.90 1l96 h TRP 126 N 7.12 -0.67 -0.35 -0.53 -0.00 -1.90 -0.77 115.95 118.86 1l96 h TRP 126 Ca 0.26 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 59.19 1l96 h TRP 126 Cb 0.89 0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 30.30 1l96 h TRP 126 CO 1.00 -0.35 0.16 -0.44 -0.00 0.00 0.00 178.44 178.81 1l96 h ASP 127 N -0.45 0.23 0.28 -3.49 5.19 -1.90 -1.53 116.42 114.74 1l96 h ASP 127 Ca 0.03 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 1l96 h ASP 127 Cb 0.48 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1l96 h ASP 127 CO -0.15 0.17 -0.13 -0.33 -3.12 0.00 0.00 179.24 175.68 1l96 h GLU 128 N 0.34 -0.36 -0.65 3.56 5.08 -1.95 -1.62 114.58 118.98 1l96 h GLU 128 Ca 0.15 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.67 1l96 h GLU 128 Cb 0.07 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.30 1l96 h GLU 128 CO -0.11 -0.24 0.06 0.00 -1.00 0.00 0.00 179.01 177.71 1l96 h ALA 129 N 0.34 0.71 -0.70 3.43 0.00 -0.96 -1.71 119.26 120.37 1l96 h ALA 129 Ca -0.04 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1l96 h ALA 129 Cb 0.29 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1l96 h ALA 129 CO 0.06 -0.37 0.31 0.00 0.00 0.00 0.00 179.25 179.25 1l96 h ALA 130 N 1.57 1.23 -0.51 0.00 0.00 -1.01 0.21 119.26 120.75 1l96 h ALA 130 Ca 0.35 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1l96 h ALA 130 Cb 0.57 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1l96 h ALA 130 CO -0.52 0.58 -0.10 0.28 0.00 0.00 0.00 179.25 179.49 1l96 h VAL 131 N 1.00 1.27 -0.37 0.00 2.07 -0.65 -2.89 116.25 116.68 1l96 h VAL 131 Ca 0.24 -1.24 -0.11 0.00 0.82 0.00 0.00 66.70 66.42 1l96 h VAL 131 Cb 0.14 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1l96 h VAL 131 CO -0.03 0.43 -0.19 -1.13 0.02 0.00 0.00 177.57 176.68 1l96 h ASN 132 N 0.83 0.80 -0.61 0.57 -0.73 -0.87 -2.98 115.58 112.59 1l96 h ASN 132 Ca 0.13 -0.41 0.05 0.00 1.87 0.00 0.00 56.30 57.94 1l96 h ASN 132 Cb 0.65 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.99 1l96 h ASN 132 CO 0.05 1.03 0.40 -0.07 -0.37 0.00 0.00 177.43 178.47 1l96 h LEU 133 N 0.56 0.57 -1.94 0.34 3.38 -0.60 -1.68 115.31 115.94 1l96 h LEU 133 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1l96 h LEU 133 Cb 0.74 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1l96 h LEU 133 CO 0.06 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.97 1l96 h ALA 134 N 1.66 1.00 -0.92 1.53 0.00 -1.34 -3.32 119.26 117.87 1l96 h ALA 134 Ca 0.25 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.40 1l96 h ALA 134 Cb 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.81 1l96 h ALA 134 CO -0.07 0.00 2.02 1.63 0.00 0.00 0.00 179.25 182.82 1l96 n LYS 135 N -3.01 3.72 -3.65 0.00 5.02 -0.63 -4.68 118.16 114.92 1l96 n LYS 135 Ca -0.01 -3.55 -0.13 0.00 -2.02 0.00 0.00 58.31 52.60 1l96 n LYS 135 Cb 0.21 -2.89 -0.06 0.00 -0.02 0.00 0.00 35.03 32.27 1l96 n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1l96 s SER 136 N 0.72 -0.33 0.26 4.39 1.04 -1.25 -5.02 113.70 113.51 1l96 s SER 136 Ca 0.40 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.91 1l96 s SER 136 Cb 0.10 0.43 0.44 0.00 0.10 0.00 0.00 66.02 67.09 1l96 s SER 136 CO 0.00 -0.65 1.86 -0.09 0.98 0.00 0.00 173.24 175.34 1l96 h ARG 137 N 3.07 1.02 -0.27 4.02 2.43 -1.92 -2.29 114.38 120.44 1l96 h ARG 137 Ca -0.31 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 58.86 1l96 h ARG 137 Cb 1.20 -0.23 -0.08 0.00 -0.42 0.00 0.00 29.97 30.44 1l96 h ARG 137 CO 0.42 0.68 -0.44 2.35 -1.51 0.00 0.00 179.97 181.47 1l96 h TRP 138 N 1.05 -1.28 -0.58 2.20 7.01 -1.95 0.20 115.95 122.60 1l96 h TRP 138 Ca 0.44 0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.53 1l96 h TRP 138 Cb 0.28 0.60 -0.04 0.00 -2.10 0.00 0.00 29.16 27.90 1l96 h TRP 138 CO -0.01 -0.47 0.35 -0.92 -2.79 0.00 0.00 178.44 174.60 1l96 h TYR 139 N -0.42 0.66 0.00 2.65 3.20 -1.74 -1.88 116.97 119.43 1l96 h TYR 139 Ca 0.10 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1l96 h TYR 139 Cb 0.61 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1l96 h TYR 139 CO -0.57 0.37 -0.33 -0.91 -1.64 0.00 0.00 178.16 175.08 1l96 h ASN 140 N 0.69 0.00 0.27 -2.11 4.21 -0.82 -2.43 115.58 115.39 1l96 h ASN 140 Ca 0.24 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.41 1l96 h ASN 140 Cb 0.03 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1l96 h ASN 140 CO -0.10 0.33 -1.80 1.56 -1.29 0.00 0.00 177.43 176.13 1l96 h GLN 141 N 0.00 0.25 -2.07 0.81 1.08 -0.40 -3.40 115.11 111.38 1l96 h GLN 141 Ca -0.00 -0.42 -0.57 0.00 -1.45 0.00 0.00 58.65 56.20 1l96 h GLN 141 Cb 0.75 0.16 -0.40 0.00 -0.05 0.00 0.00 27.48 27.94 1l96 h GLN 141 CO 0.04 1.10 -0.93 0.25 -0.95 0.00 0.00 178.83 178.35 1l96 n THR 142 N -3.43 0.40 -0.23 -0.54 -2.24 -0.73 -4.99 114.28 102.53 1l96 n THR 142 Ca -0.25 -4.45 -0.06 0.00 -2.27 0.00 0.00 64.05 57.01 1l96 n THR 142 Cb 1.05 -1.97 0.04 0.00 -2.10 0.00 0.00 70.33 67.35 1l96 n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1l96 h PRO 143 N 4.03 0.89 -0.77 -0.78 0.13 -1.65 -1.51 132.00 132.34 1l96 h PRO 143 Ca 0.12 -0.11 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1l96 h PRO 143 Cb 0.80 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.71 1l96 h PRO 143 CO 0.59 0.68 0.48 -0.91 -0.23 0.00 0.00 178.00 178.61 1l96 h ASN 144 N 0.86 0.79 -0.10 1.44 2.35 -1.94 -0.36 115.58 118.63 1l96 h ASN 144 Ca 0.22 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 1l96 h ASN 144 Cb 0.05 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1l96 h ASN 144 CO -0.03 0.54 -0.20 -0.09 -1.65 0.00 0.00 177.43 175.99 1l96 h ARG 145 N 0.93 0.31 -0.98 0.81 2.43 -1.96 -2.22 114.38 113.70 1l96 h ARG 145 Ca 0.31 -0.20 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1l96 h ARG 145 Cb 0.04 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.55 1l96 h ARG 145 CO -0.12 0.80 0.63 0.00 -1.51 0.00 0.00 179.97 179.77 1l96 h ALA 146 N 0.51 1.36 -0.74 2.80 0.00 -1.14 -0.54 119.26 121.51 1l96 h ALA 146 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1l96 h ALA 146 Cb 0.79 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1l96 h ALA 146 CO 0.04 0.40 0.40 0.87 0.00 0.00 0.00 179.25 180.96 1l96 h LYS 147 N 1.13 1.03 -0.26 0.00 1.57 -1.00 0.26 116.57 119.29 1l96 h LYS 147 Ca 0.43 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1l96 h LYS 147 Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1l96 h LYS 147 CO -0.18 0.76 0.07 0.00 -0.57 0.00 0.00 179.45 179.53 1l96 h ARG 148 N 1.03 0.41 -0.39 3.15 3.08 -0.50 -0.59 114.38 120.58 1l96 h ARG 148 Ca 0.26 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 1l96 h ARG 148 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1l96 h ARG 148 CO -0.04 0.50 -0.18 0.28 -1.07 0.00 0.00 179.97 179.46 1l96 h VAL 149 N 0.25 1.28 -0.55 2.04 2.07 -0.96 -2.11 116.25 118.27 1l96 h VAL 149 Ca 0.08 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1l96 h VAL 149 Cb 0.27 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1l96 h VAL 149 CO -0.00 0.44 0.31 0.40 0.02 0.00 0.00 177.57 178.73 1l96 h ILE 150 N 0.62 1.18 0.00 4.57 2.04 -0.39 -0.04 117.51 125.49 1l96 h ILE 150 Ca 0.09 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1l96 h ILE 150 Cb 0.73 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1l96 h ILE 150 CO 0.06 0.20 -0.32 0.74 0.00 0.00 0.00 178.15 178.82 1l96 h THR 151 N 0.74 1.22 -0.29 -0.27 2.02 -1.05 0.01 112.91 115.30 1l96 h THR 151 Ca 0.19 -1.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 1l96 h THR 151 Cb 0.04 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1l96 h THR 151 CO -0.03 0.32 0.07 0.74 0.37 0.00 0.00 175.52 176.99 1l96 h THR 152 N 0.00 1.22 -0.68 3.16 2.02 -0.37 -1.49 112.91 116.77 1l96 h THR 152 Ca -0.00 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1l96 h THR 152 Cb 0.58 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1l96 h THR 152 CO 0.04 0.23 0.28 -0.26 0.37 0.00 0.00 175.52 176.19 1l96 h PHE 153 N 0.29 1.02 0.55 3.16 0.04 -0.44 -0.49 116.94 121.07 1l96 h PHE 153 Ca 0.09 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1l96 h PHE 153 Cb 0.29 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 1l96 h PHE 153 CO 0.01 0.78 -0.51 -0.09 -0.60 0.00 0.00 178.31 177.91 1l96 h ARG 154 N 0.96 -1.01 0.00 1.51 2.43 -0.95 -3.35 114.38 113.98 1l96 h ARG 154 Ca 0.23 0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1l96 h ARG 154 Cb 0.19 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1l96 h ARG 154 CO -0.02 -0.67 -1.41 0.25 -1.51 0.00 0.00 179.97 176.60 1l96 n THR 155 N -5.58 0.48 -1.62 0.20 -2.24 -0.57 -4.80 114.28 100.15 1l96 n THR 155 Ca -0.13 -0.55 -0.12 0.00 -2.27 0.00 0.00 64.05 60.98 1l96 n THR 155 Cb 0.47 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 1l96 n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1l96 n GLY 156 N 1.24 0.90 3.50 3.38 0.00 -0.19 -5.00 105.19 109.02 1l96 n GLY 156 Ca -0.03 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 1l96 n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l96 s THR 157 N -2.51 1.29 -1.55 2.61 -4.23 -1.26 -4.77 115.64 105.22 1l96 s THR 157 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1l96 s THR 157 Cb 0.00 -2.76 0.50 0.00 1.34 0.00 0.00 72.50 71.57 1l96 s THR 157 CO 0.00 0.00 1.39 0.79 -0.54 0.00 0.00 174.62 176.26 1l96 n TRP 158 N -0.79 0.93 -0.31 3.99 7.02 -1.26 -4.62 117.44 122.40 1l96 n TRP 158 Ca -0.04 -0.40 0.14 0.00 -1.02 0.00 0.00 57.50 56.18 1l96 n TRP 158 Cb 0.67 -0.12 0.32 0.00 -2.42 0.00 0.00 31.31 29.76 1l96 n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1l96 h ASP 159 N 3.00 0.26 0.34 -0.99 3.32 -1.96 0.60 116.42 120.98 1l96 h ASP 159 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1l96 h ASP 159 Cb 0.95 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1l96 h ASP 159 CO 0.10 -0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1l96 n ALA 160 N -2.53 1.39 0.05 3.45 0.00 -1.26 -1.67 120.51 119.94 1l96 n ALA 160 Ca 0.23 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.79 1l96 n ALA 160 Cb 0.69 -1.22 0.19 0.00 0.00 0.00 0.00 19.45 19.11 1l96 n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1l96 n TYR 161 N -1.78 0.51 0.27 0.00 4.02 0.19 -4.96 117.16 115.42 1l96 n TYR 161 Ca 0.01 -0.34 0.03 0.00 -0.01 0.00 0.00 57.90 57.60 1l96 n TYR 161 Cb 0.12 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.46 1l96 n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48