#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nl7 s HIS 2 N 0.00 1.89 0.02 1.45 0.09 -1.26 -4.91 115.29 112.58 3nl7 s HIS 2 Ca 0.00 -1.74 -0.21 0.00 -0.00 0.00 0.00 55.06 53.11 3nl7 s HIS 2 Cb 0.00 -1.72 -0.06 0.00 -0.00 0.00 0.00 32.58 30.80 3nl7 s HIS 2 CO 0.00 -0.84 0.60 -0.51 -0.00 0.00 0.00 174.74 174.00 3nl7 s LEU 3 N 1.56 4.45 0.73 0.89 1.02 -1.26 -5.07 118.68 120.99 3nl7 s LEU 3 Ca 0.07 1.21 -0.11 0.00 0.02 0.00 0.00 54.13 55.32 3nl7 s LEU 3 Cb -0.18 -2.94 0.03 0.00 0.02 0.00 0.00 46.19 43.12 3nl7 s LEU 3 CO -0.19 0.14 1.07 0.42 0.02 0.00 0.00 176.35 177.81 3nl7 s THR 4 N -0.41 3.68 0.33 5.49 -4.23 -1.26 -4.73 115.64 114.51 3nl7 s THR 4 Ca 0.31 0.55 0.09 0.00 -1.18 0.00 0.00 61.69 61.46 3nl7 s THR 4 Cb -0.19 -3.26 0.32 0.00 1.34 0.00 0.00 72.50 70.71 3nl7 s THR 4 CO 0.18 -0.71 1.77 -0.65 -0.54 0.00 0.00 174.62 174.67 3nl7 h PRO 5 N -0.87 0.63 -0.37 3.99 0.11 -1.98 0.22 132.00 133.73 3nl7 h PRO 5 Ca -0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 3nl7 h PRO 5 Cb 1.23 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3nl7 h PRO 5 CO 0.57 0.41 -0.19 0.93 -0.21 0.00 0.00 178.00 179.52 3nl7 h GLU 6 N 0.64 0.69 -0.20 1.05 5.08 -1.99 -0.14 114.58 119.72 3nl7 h GLU 6 Ca 0.59 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.50 3nl7 h GLU 6 Cb 1.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3nl7 h GLU 6 CO -0.38 0.84 -0.64 0.93 -1.00 0.00 0.00 179.01 178.76 3nl7 h GLU 7 N 0.62 0.71 -0.73 2.33 5.08 -1.48 -0.73 114.58 120.37 3nl7 h GLU 7 Ca 0.09 -0.50 -0.02 0.00 -1.00 0.00 0.00 59.36 57.93 3nl7 h GLU 7 Cb 0.66 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3nl7 h GLU 7 CO 0.05 1.12 0.37 0.87 -1.00 0.00 0.00 179.01 180.42 3nl7 h LYS 8 N 0.52 1.03 -0.37 2.33 1.57 -0.34 -0.21 116.57 121.11 3nl7 h LYS 8 Ca -0.01 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3nl7 h LYS 8 Cb 1.23 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3nl7 h LYS 8 CO 0.13 0.79 0.01 1.03 -0.57 0.00 0.00 179.45 180.84 3nl7 h SER 9 N 1.03 0.63 -0.54 0.86 0.87 -0.86 0.00 113.55 115.54 3nl7 h SER 9 Ca 0.26 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3nl7 h SER 9 Cb 0.08 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3nl7 h SER 9 CO -0.04 0.77 0.35 0.00 -0.53 0.00 0.00 176.83 177.38 3nl7 h ALA 10 N 0.88 0.69 0.02 6.23 0.00 -0.84 -2.13 119.26 124.11 3nl7 h ALA 10 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3nl7 h ALA 10 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3nl7 h ALA 10 CO 0.02 0.15 -0.01 0.28 0.00 0.00 0.00 179.25 179.68 3nl7 h VAL 11 N 0.73 1.21 0.00 0.00 2.07 -0.69 -2.99 116.25 116.58 3nl7 h VAL 11 Ca 0.20 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 3nl7 h VAL 11 Cb -0.05 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3nl7 h VAL 11 CO -0.04 0.19 -0.49 0.71 0.02 0.00 0.00 177.57 177.96 3nl7 h THR 12 N -0.35 1.23 -0.25 2.57 1.35 -0.95 -1.63 112.91 114.88 3nl7 h THR 12 Ca -0.00 -1.73 -0.11 0.00 -0.55 0.00 0.00 66.41 64.02 3nl7 h THR 12 Cb 0.33 1.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3nl7 h THR 12 CO 0.01 0.48 -0.27 0.00 -0.25 0.00 0.00 175.52 175.48 3nl7 h ALA 13 N 1.51 0.37 -0.32 6.62 0.00 -1.41 -2.22 119.26 123.81 3nl7 h ALA 13 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3nl7 h ALA 13 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3nl7 h ALA 13 CO 0.06 0.36 -0.36 1.25 0.00 0.00 0.00 179.25 180.57 3nl7 h LEU 14 N 0.33 0.76 -0.98 0.00 5.85 -1.39 -3.20 115.31 116.68 3nl7 h LEU 14 Ca 0.04 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 3nl7 h LEU 14 Cb 0.84 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3nl7 h LEU 14 CO 0.07 1.04 -0.38 -0.25 -0.34 0.00 0.00 178.44 178.58 3nl7 h TRP 15 N 0.60 0.29 -0.00 1.25 2.91 -1.10 -0.83 115.95 119.07 3nl7 h TRP 15 Ca 0.06 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.00 3nl7 h TRP 15 Cb 0.89 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.47 3nl7 h TRP 15 CO 0.04 0.60 0.00 0.78 -1.03 0.00 0.00 178.44 178.84 3nl7 h GLY 16 N 1.17 0.00 -0.33 2.65 0.00 -1.40 -1.54 103.07 103.63 3nl7 h GLY 16 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3nl7 h GLY 16 CO 0.06 0.00 -0.15 0.28 0.00 0.00 0.00 176.54 176.73 3nl7 n LYS 17 N -4.00 1.33 -2.61 4.80 5.02 -0.32 -4.94 118.16 117.44 3nl7 n LYS 17 Ca -0.03 -0.85 -0.41 0.00 -2.02 0.00 0.00 58.31 55.01 3nl7 n LYS 17 Cb 0.08 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 3nl7 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3nl7 s VAL 18 N -2.25 4.09 -0.58 -0.18 1.01 -0.58 -4.99 120.40 116.91 3nl7 s VAL 18 Ca 0.30 1.82 -0.28 0.00 0.00 0.00 0.00 61.98 63.82 3nl7 s VAL 18 Cb 0.20 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3nl7 s VAL 18 CO 0.43 0.32 1.19 0.21 0.00 0.00 0.00 175.10 177.25 3nl7 s ASN 19 N -0.22 6.44 0.00 3.32 3.84 -1.26 -4.90 114.94 122.17 3nl7 s ASN 19 Ca 0.47 0.09 0.22 0.00 0.21 0.00 0.00 52.86 53.86 3nl7 s ASN 19 Cb -0.27 -2.55 0.95 0.00 -0.55 0.00 0.00 41.25 38.83 3nl7 s ASN 19 CO 0.33 -1.48 1.70 1.33 -2.79 0.00 0.00 177.10 176.20 3nl7 n VAL 20 N 6.66 0.48 0.41 -5.21 0.24 -1.26 -1.59 118.33 118.06 3nl7 n VAL 20 Ca 0.08 0.12 0.12 0.00 -2.04 0.00 0.00 64.34 62.62 3nl7 n VAL 20 Cb 0.49 -0.74 0.18 0.00 -1.47 0.00 0.00 33.84 32.30 3nl7 n VAL 20 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3nl7 h ASP 21 N 0.00 0.00 0.00 -1.34 3.32 -1.97 -3.42 116.42 113.01 3nl7 h ASP 21 Ca 0.00 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3nl7 h ASP 21 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 3nl7 h ASP 21 CO 0.00 0.04 -1.20 -0.62 -1.72 0.00 0.00 179.24 175.74 3nl7 n GLU 22 N -2.46 0.08 -0.16 3.56 1.02 -0.87 -4.73 120.64 117.07 3nl7 n GLU 22 Ca 0.03 0.03 -0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3nl7 n GLU 22 Cb 0.48 -0.85 0.25 0.00 -0.02 0.00 0.00 31.44 31.30 3nl7 n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3nl7 h VAL 23 N -0.06 1.19 -0.49 2.62 2.07 -1.55 -1.13 116.25 118.90 3nl7 h VAL 23 Ca -0.08 -0.48 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 3nl7 h VAL 23 Cb 1.10 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 3nl7 h VAL 23 CO -0.03 0.21 -0.12 1.23 0.02 0.00 0.00 177.57 178.88 3nl7 h GLY 24 N 0.94 1.02 1.52 2.17 0.00 -1.82 -0.98 103.07 105.93 3nl7 h GLY 24 Ca 0.23 -0.84 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 3nl7 h GLY 24 CO -0.04 0.77 -0.19 -1.33 0.00 0.00 0.00 176.54 175.75 3nl7 h GLY 25 N 0.79 0.61 1.16 4.60 0.00 -1.55 0.21 103.07 108.89 3nl7 h GLY 25 Ca 0.12 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3nl7 h GLY 25 CO 0.05 0.43 -0.08 -2.09 0.00 0.00 0.00 176.54 174.85 3nl7 h GLU 26 N 0.51 0.98 -0.04 4.80 4.57 -0.87 -0.14 114.58 124.39 3nl7 h GLU 26 Ca 0.08 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3nl7 h GLU 26 Cb 0.61 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3nl7 h GLU 26 CO 0.04 1.02 -0.03 0.00 -1.18 0.00 0.00 179.01 178.86 3nl7 h ALA 27 N 1.01 0.06 -0.46 2.92 0.00 -0.75 -1.72 119.26 120.32 3nl7 h ALA 27 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3nl7 h ALA 27 Cb 0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3nl7 h ALA 27 CO 0.04 -0.18 0.20 1.25 0.00 0.00 0.00 179.25 180.56 3nl7 h LEU 28 N -0.33 0.61 -0.35 0.00 5.85 -0.91 0.15 115.31 120.34 3nl7 h LEU 28 Ca 0.01 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3nl7 h LEU 28 Cb 0.50 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3nl7 h LEU 28 CO 0.01 0.59 0.11 1.23 -0.34 0.00 0.00 178.44 180.04 3nl7 h GLY 29 N 0.59 0.44 1.40 3.75 0.00 -1.06 -1.35 103.07 106.84 3nl7 h GLY 29 Ca 0.15 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 3nl7 h GLY 29 CO -0.02 0.02 0.10 3.21 0.00 0.00 0.00 176.54 179.85 3nl7 h ARG 30 N 0.25 0.76 -0.30 4.80 3.08 -0.90 -0.58 114.38 121.49 3nl7 h ARG 30 Ca 0.16 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3nl7 h ARG 30 Cb 0.15 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3nl7 h ARG 30 CO -0.18 0.70 0.07 1.25 -1.07 0.00 0.00 179.97 180.74 3nl7 h LEU 31 N 0.73 0.04 -1.32 3.04 5.85 -0.43 0.21 115.31 123.43 3nl7 h LEU 31 Ca 0.16 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 3nl7 h LEU 31 Cb 0.30 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3nl7 h LEU 31 CO 0.00 0.06 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.89 3nl7 h LEU 32 N 0.19 0.20 0.04 2.25 3.38 -0.32 -0.98 115.31 120.07 3nl7 h LEU 32 Ca 0.14 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3nl7 h LEU 32 Cb 0.14 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.84 3nl7 h LEU 32 CO -0.17 0.41 -0.24 0.58 0.09 0.00 0.00 178.44 179.11 3nl7 h VAL 33 N 0.19 1.71 -0.10 1.22 2.07 -0.64 -3.32 116.25 117.38 3nl7 h VAL 33 Ca 0.03 -2.39 -0.19 0.00 0.82 0.00 0.00 66.70 64.98 3nl7 h VAL 33 Cb 0.47 3.32 -0.00 0.00 -1.52 0.00 0.00 31.29 33.56 3nl7 h VAL 33 CO 0.03 0.64 -0.72 0.58 0.02 0.00 0.00 177.57 178.12 3nl7 h VAL 34 N -0.80 1.36 -2.57 2.57 2.07 -0.60 -3.37 116.25 114.91 3nl7 h VAL 34 Ca -0.04 -2.09 -0.60 0.00 0.82 0.00 0.00 66.70 64.79 3nl7 h VAL 34 Cb 1.18 2.06 -0.41 0.00 -1.52 0.00 0.00 31.29 32.61 3nl7 h VAL 34 CO 0.05 0.63 -0.70 -1.22 0.02 0.00 0.00 177.57 176.35 3nl7 n TYR 35 N -3.86 2.38 0.28 1.57 4.01 -0.37 -4.99 117.16 116.17 3nl7 n TYR 35 Ca -0.04 -4.03 0.16 0.00 -0.16 0.00 0.00 57.90 53.82 3nl7 n TYR 35 Cb 0.70 -0.44 0.76 0.00 -0.31 0.00 0.00 39.34 40.04 3nl7 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3nl7 h PRO 36 N 4.87 0.00 0.00 -0.72 0.11 -1.74 -1.47 132.00 133.04 3nl7 h PRO 36 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3nl7 h PRO 36 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3nl7 h PRO 36 CO 0.68 0.00 -0.06 0.11 -0.21 0.00 0.00 178.00 178.52 3nl7 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.62 115.95 113.16 3nl7 h TRP 37 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.97 3nl7 h TRP 37 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.41 3nl7 h TRP 37 CO 0.00 0.06 -0.03 1.79 0.09 0.00 0.00 178.44 180.35 3nl7 h THR 38 N 0.00 0.19 0.00 0.12 1.35 -1.59 -1.71 112.91 111.28 3nl7 h THR 38 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3nl7 h THR 38 Cb 0.25 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3nl7 h THR 38 CO 0.01 0.03 0.00 1.56 -0.25 0.00 0.00 175.52 176.87 3nl7 h GLN 39 N 0.00 0.00 -0.73 4.72 4.20 -1.50 -2.21 115.11 119.58 3nl7 h GLN 39 Ca -0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.86 3nl7 h GLN 39 Cb 0.20 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 3nl7 h GLN 39 CO 0.00 0.00 0.49 -0.09 -0.67 0.00 0.00 178.83 178.57 3nl7 h ARG 40 N 0.00 0.33 -0.01 1.46 2.43 -1.50 -1.90 114.38 115.19 3nl7 h ARG 40 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3nl7 h ARG 40 Cb 0.17 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3nl7 h ARG 40 CO 0.00 0.22 -0.06 1.19 -1.51 0.00 0.00 179.97 179.81 3nl7 n PHE 41 N -4.46 0.00 -2.13 2.20 3.01 -0.83 -4.19 117.46 111.05 3nl7 n PHE 41 Ca 0.14 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.48 3nl7 n PHE 41 Cb 0.56 -0.03 0.06 0.00 -0.01 0.00 0.00 39.48 40.06 3nl7 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3nl7 n PHE 42 N -0.02 1.77 -0.27 1.38 3.01 -0.71 -4.83 117.46 117.79 3nl7 n PHE 42 Ca 0.17 -1.96 -0.01 0.00 1.01 0.00 0.00 57.45 56.66 3nl7 n PHE 42 Cb 0.36 -0.29 0.11 0.00 -0.01 0.00 0.00 39.48 39.65 3nl7 n PHE 42 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3nl7 h GLU 43 N 1.97 0.85 0.00 -1.08 4.57 -1.73 -1.45 114.58 117.70 3nl7 h GLU 43 Ca 0.16 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3nl7 h GLU 43 Cb 1.41 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 3nl7 h GLU 43 CO 0.46 0.56 0.00 -1.13 -1.18 0.00 0.00 179.01 177.72 3nl7 n SER 44 N -4.67 0.00 -0.23 1.04 3.41 -1.26 -3.62 113.62 108.29 3nl7 n SER 44 Ca 0.10 -0.60 0.14 0.00 -0.26 0.00 0.00 58.87 58.25 3nl7 n SER 44 Cb 0.15 -0.05 0.65 0.00 -0.26 0.00 0.00 64.21 64.70 3nl7 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3nl7 n PHE 45 N -1.05 0.00 -1.39 7.33 0.99 -0.55 -5.03 117.46 117.76 3nl7 n PHE 45 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 3nl7 n PHE 45 Cb 0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.51 3nl7 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3nl7 n GLY 46 N 1.17 0.70 3.63 1.37 0.00 -1.24 -4.78 105.19 106.05 3nl7 n GLY 46 Ca 0.18 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 3nl7 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3nl7 s ASP 47 N -4.00 6.55 -0.10 1.61 3.68 -1.26 -4.84 116.67 118.31 3nl7 s ASP 47 Ca 0.00 1.51 0.18 0.00 2.13 0.00 0.00 52.55 56.37 3nl7 s ASP 47 Cb 0.00 -2.54 0.41 0.00 -1.45 0.00 0.00 42.92 39.35 3nl7 s ASP 47 CO 0.00 -1.13 1.19 0.18 0.13 0.00 0.00 175.17 175.54 3nl7 n LEU 48 N 7.91 1.82 0.20 -1.34 4.77 -1.26 -4.21 117.00 124.88 3nl7 n LEU 48 Ca 0.17 -2.91 0.09 0.00 -0.03 0.00 0.00 56.01 53.33 3nl7 n LEU 48 Cb 0.46 -0.26 0.16 0.00 -2.33 0.00 0.00 43.42 41.45 3nl7 n LEU 48 CO 0.63 0.93 0.71 0.77 -1.33 0.00 0.00 177.39 179.10 3nl7 h SER 49 N 0.96 0.00 -5.00 -1.43 4.64 -1.92 -3.44 113.55 107.36 3nl7 h SER 49 Ca -0.11 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.01 3nl7 h SER 49 Cb 1.45 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.39 3nl7 h SER 49 CO 0.05 0.18 -0.67 0.42 -0.87 0.00 0.00 176.83 175.93 3nl7 s THR 50 N -3.17 0.39 0.20 2.95 -4.23 -1.26 -5.02 115.64 105.49 3nl7 s THR 50 Ca 0.05 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.55 3nl7 s THR 50 Cb 0.06 -1.84 0.13 0.00 1.34 0.00 0.00 72.50 72.19 3nl7 s THR 50 CO 0.69 -0.70 1.86 -0.65 -0.54 0.00 0.00 174.62 175.27 3nl7 h PRO 51 N 2.93 0.86 -1.01 3.99 0.11 -1.99 -1.19 132.00 135.70 3nl7 h PRO 51 Ca -0.35 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.73 3nl7 h PRO 51 Cb 1.18 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 32.04 3nl7 h PRO 51 CO 0.63 0.57 0.66 -0.44 -0.21 0.00 0.00 178.00 179.21 3nl7 h ASP 52 N 0.89 1.12 -0.32 -2.05 3.32 -1.98 -0.43 116.42 116.96 3nl7 h ASP 52 Ca 0.25 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 3nl7 h ASP 52 Cb -0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 3nl7 h ASP 52 CO -0.07 0.78 0.09 0.00 -1.72 0.00 0.00 179.24 178.33 3nl7 h ALA 53 N 1.40 0.42 -0.08 3.45 0.00 -1.74 -1.26 119.26 121.45 3nl7 h ALA 53 Ca 0.39 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3nl7 h ALA 53 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3nl7 h ALA 53 CO -0.11 0.07 -0.02 0.28 0.00 0.00 0.00 179.25 179.47 3nl7 h VAL 54 N 0.36 0.91 0.00 0.00 2.07 -0.82 -1.62 116.25 117.15 3nl7 h VAL 54 Ca 0.10 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 3nl7 h VAL 54 Cb 0.27 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3nl7 h VAL 54 CO -0.00 0.00 -0.38 0.24 0.02 0.00 0.00 177.57 177.45 3nl7 h MET 55 N -0.01 0.00 -0.01 1.57 2.07 -0.96 -2.56 114.93 115.03 3nl7 h MET 55 Ca 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 3nl7 h MET 55 Cb 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 3nl7 h MET 55 CO -0.08 0.38 -0.21 0.41 1.07 0.00 0.00 176.91 178.48 3nl7 n GLY 56 N 0.02 -0.08 3.65 8.32 0.00 -0.49 -4.84 105.19 111.77 3nl7 n GLY 56 Ca -0.01 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 3nl7 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3nl7 s ASN 57 N -2.30 6.69 0.56 1.61 3.84 -0.62 -4.89 114.94 119.83 3nl7 s ASN 57 Ca 0.27 1.83 0.29 0.00 0.21 0.00 0.00 52.86 55.46 3nl7 s ASN 57 Cb 0.20 -2.53 1.67 0.00 -0.55 0.00 0.00 41.25 40.03 3nl7 s ASN 57 CO 0.45 -0.97 2.17 1.55 -2.79 0.00 0.00 177.10 177.52 3nl7 h PRO 58 N 9.38 0.00 0.05 0.43 0.13 -1.90 -1.98 132.00 138.11 3nl7 h PRO 58 Ca -0.33 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.55 3nl7 h PRO 58 Cb 1.14 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.29 3nl7 h PRO 58 CO 0.98 0.06 -1.01 0.87 -0.23 0.00 0.00 178.00 178.66 3nl7 h LYS 59 N 0.00 0.60 -0.71 0.86 1.57 -1.90 -1.71 116.57 115.27 3nl7 h LYS 59 Ca -0.00 -0.71 0.08 0.00 -1.87 0.00 0.00 60.65 58.15 3nl7 h LYS 59 Cb 0.16 0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 3nl7 h LYS 59 CO 0.01 1.30 0.38 0.28 -0.57 0.00 0.00 179.45 180.85 3nl7 h VAL 60 N 0.21 0.90 -0.64 0.50 2.07 -1.72 -0.11 116.25 117.46 3nl7 h VAL 60 Ca -0.14 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3nl7 h VAL 60 Cb 1.69 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3nl7 h VAL 60 CO 0.20 0.12 0.15 0.11 0.02 0.00 0.00 177.57 178.16 3nl7 h LYS 61 N 0.67 1.03 -0.37 1.57 1.57 -1.34 -0.16 116.57 119.54 3nl7 h LYS 61 Ca 0.34 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 3nl7 h LYS 61 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3nl7 h LYS 61 CO -0.23 0.93 -0.02 0.00 -0.57 0.00 0.00 179.45 179.56 3nl7 h ALA 62 N 1.05 0.50 0.00 3.86 0.00 -0.77 -1.40 119.26 122.49 3nl7 h ALA 62 Ca 0.20 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3nl7 h ALA 62 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3nl7 h ALA 62 CO 0.00 0.29 -0.78 -1.49 0.00 0.00 0.00 179.25 177.27 3nl7 h TRP 63 N 0.47 0.00 -0.93 0.00 6.55 -0.97 -2.29 115.95 118.78 3nl7 h TRP 63 Ca 0.10 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.94 3nl7 h TRP 63 Cb 0.50 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.75 3nl7 h TRP 63 CO 0.04 0.78 0.57 0.78 -1.05 0.00 0.00 178.44 179.56 3nl7 h GLY 64 N 2.53 1.34 1.42 1.49 0.00 -0.89 0.00 103.07 108.95 3nl7 h GLY 64 Ca -0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3nl7 h GLY 64 CO 0.10 0.53 -0.02 1.70 0.00 0.00 0.00 176.54 178.85 3nl7 h LYS 65 N 1.27 0.71 -0.46 4.80 3.64 -0.87 -1.32 116.57 124.35 3nl7 h LYS 65 Ca 0.33 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3nl7 h LYS 65 Cb -0.07 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 3nl7 h LYS 65 CO -0.06 0.74 -0.00 0.87 -2.27 0.00 0.00 179.45 178.73 3nl7 h LYS 66 N 0.67 0.81 -0.39 1.90 1.57 -0.74 -1.39 116.57 118.99 3nl7 h LYS 66 Ca 0.13 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3nl7 h LYS 66 Cb 0.44 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 3nl7 h LYS 66 CO 0.02 0.86 0.12 0.28 -0.57 0.00 0.00 179.45 180.16 3nl7 h VAL 67 N 0.66 0.85 -0.33 0.50 2.07 -0.76 -1.85 116.25 117.39 3nl7 h VAL 67 Ca 0.13 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 3nl7 h VAL 67 Cb 0.50 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3nl7 h VAL 67 CO 0.02 0.05 -0.13 0.25 0.02 0.00 0.00 177.57 177.79 3nl7 h LEU 68 N 0.27 0.55 -1.05 2.57 5.85 -1.13 -1.23 115.31 121.15 3nl7 h LEU 68 Ca 0.18 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3nl7 h LEU 68 Cb 0.18 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3nl7 h LEU 68 CO -0.21 0.71 0.64 1.23 -0.34 0.00 0.00 178.44 180.47 3nl7 h GLY 69 N 0.95 1.46 1.47 3.75 0.00 -0.79 0.47 103.07 110.37 3nl7 h GLY 69 Ca 0.09 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 3nl7 h GLY 69 CO 0.03 0.36 -0.54 0.00 0.00 0.00 0.00 176.54 176.39 3nl7 h ALA 70 N 1.46 0.71 -0.81 3.60 0.00 -0.44 -2.07 119.26 121.70 3nl7 h ALA 70 Ca 0.41 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3nl7 h ALA 70 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3nl7 h ALA 70 CO -0.15 0.69 0.42 0.74 0.00 0.00 0.00 179.25 180.94 3nl7 h PHE 71 N 0.43 1.14 -0.51 0.00 -1.00 -0.67 -0.48 116.94 115.86 3nl7 h PHE 71 Ca 0.01 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.73 3nl7 h PHE 71 Cb 1.08 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 40.25 3nl7 h PHE 71 CO 0.04 0.82 0.25 0.77 -1.61 0.00 0.00 178.31 178.58 3nl7 h SER 72 N 1.14 0.65 -0.81 2.17 0.02 -0.64 -0.12 113.55 115.97 3nl7 h SER 72 Ca 0.28 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3nl7 h SER 72 Cb 0.08 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.41 3nl7 h SER 72 CO -0.04 0.59 0.51 -0.78 -1.14 0.00 0.00 176.83 175.97 3nl7 h ASP 73 N 0.67 0.95 -0.50 3.07 -0.00 -1.14 -2.41 116.42 117.07 3nl7 h ASP 73 Ca 0.18 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.03 57.13 3nl7 h ASP 73 Cb 0.10 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.17 3nl7 h ASP 73 CO -0.02 0.71 0.18 1.23 -0.00 0.00 0.00 179.24 181.34 3nl7 h GLY 74 N 1.12 0.82 1.54 -0.78 0.00 -0.36 -2.46 103.07 102.95 3nl7 h GLY 74 Ca 0.29 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 47.17 3nl7 h GLY 74 CO -0.06 0.43 0.29 1.41 0.00 0.00 0.00 176.54 178.62 3nl7 h LEU 75 N 0.67 0.48 -0.38 3.11 3.38 -0.70 -0.95 115.31 120.93 3nl7 h LEU 75 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3nl7 h LEU 75 Cb 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3nl7 h LEU 75 CO -0.01 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3nl7 h ALA 76 N 1.73 1.00 -1.45 1.53 0.00 -1.08 -3.34 119.26 117.65 3nl7 h ALA 76 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.61 3nl7 h ALA 76 Cb -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.36 3nl7 h ALA 76 CO -0.04 0.00 -1.02 0.72 0.00 0.00 0.00 179.25 178.92 3nl7 n HIS 77 N -2.57 1.88 0.33 0.00 8.25 -0.39 -4.92 115.22 117.80 3nl7 n HIS 77 Ca 0.04 -3.19 0.22 0.00 -0.26 0.00 0.00 57.72 54.53 3nl7 n HIS 77 Cb 0.39 -0.32 1.18 0.00 1.12 0.00 0.00 29.99 32.36 3nl7 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3nl7 h LEU 78 N 2.89 0.00 -0.56 2.41 3.38 -1.60 -0.94 115.31 120.88 3nl7 h LEU 78 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3nl7 h LEU 78 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3nl7 h LEU 78 CO 0.63 0.00 -0.44 0.47 0.09 0.00 0.00 178.44 179.18 3nl7 n ASP 79 N -3.16 1.32 -2.92 -0.43 8.00 -1.26 -4.20 116.55 113.89 3nl7 n ASP 79 Ca -0.03 -1.05 -0.13 0.00 0.71 0.00 0.00 54.79 54.29 3nl7 n ASP 79 Cb 0.08 0.36 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 3nl7 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3nl7 n ASN 80 N -0.62 0.92 0.14 -2.24 5.15 -0.38 -4.92 115.26 113.31 3nl7 n ASN 80 Ca 0.10 -2.88 0.05 0.00 -0.60 0.00 0.00 54.58 51.25 3nl7 n ASN 80 Cb 0.39 -0.45 0.51 0.00 -0.53 0.00 0.00 39.78 39.70 3nl7 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3nl7 h LEU 81 N 2.97 0.21 -0.31 1.20 3.38 -1.67 -2.16 115.31 118.92 3nl7 h LEU 81 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3nl7 h LEU 81 Cb 1.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3nl7 h LEU 81 CO 0.47 0.20 0.08 0.50 0.09 0.00 0.00 178.44 179.78 3nl7 h LYS 82 N 0.24 0.50 -0.26 1.13 3.64 -1.90 0.35 116.57 120.27 3nl7 h LYS 82 Ca 0.06 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 3nl7 h LYS 82 Cb 0.07 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3nl7 h LYS 82 CO -0.01 0.56 -0.56 0.78 -2.27 0.00 0.00 179.45 177.96 3nl7 h GLY 83 N 0.34 0.86 0.77 5.01 0.00 -1.95 -2.18 103.07 105.94 3nl7 h GLY 83 Ca 0.10 -1.02 0.06 0.00 0.00 0.00 0.00 47.33 46.47 3nl7 h GLY 83 CO 0.00 0.91 0.61 -0.84 0.00 0.00 0.00 176.54 177.22 3nl7 h THR 84 N 0.60 1.10 -0.69 4.70 2.02 -1.11 -2.86 112.91 116.68 3nl7 h THR 84 Ca 0.01 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3nl7 h THR 84 Cb 1.15 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3nl7 h THR 84 CO 0.12 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.71 3nl7 n PHE 85 N -4.53 1.12 0.07 3.16 3.01 0.09 -4.65 117.46 115.73 3nl7 n PHE 85 Ca 0.14 -0.54 -0.12 0.00 1.01 0.00 0.00 57.45 57.94 3nl7 n PHE 85 Cb 0.16 -0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 39.49 3nl7 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3nl7 h ALA 86 N 4.10 -0.19 -0.10 4.37 0.00 -1.15 0.23 119.26 126.52 3nl7 h ALA 86 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3nl7 h ALA 86 Cb 1.13 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3nl7 h ALA 86 CO 0.08 -0.64 -0.53 1.79 0.00 0.00 0.00 179.25 179.95 3nl7 h THR 87 N -0.25 1.35 0.00 0.00 1.35 -1.83 -1.60 112.91 111.93 3nl7 h THR 87 Ca 0.04 -1.80 -0.09 0.00 -0.55 0.00 0.00 66.41 64.01 3nl7 h THR 87 Cb 0.29 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 3nl7 h THR 87 CO -0.11 0.54 -0.41 -0.07 -0.25 0.00 0.00 175.52 175.22 3nl7 h LEU 88 N 0.22 0.00 -0.37 3.87 3.38 -1.77 -1.51 115.31 119.12 3nl7 h LEU 88 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3nl7 h LEU 88 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3nl7 h LEU 88 CO 0.08 0.41 -0.27 -1.28 0.09 0.00 0.00 178.44 177.47 3nl7 h SER 89 N 0.00 0.89 -0.80 -0.43 0.87 -0.00 -0.73 113.55 113.34 3nl7 h SER 89 Ca -0.00 -0.44 -0.04 0.00 -1.23 0.00 0.00 61.79 60.08 3nl7 h SER 89 Cb 0.80 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 3nl7 h SER 89 CO 0.05 1.14 0.36 -0.33 -0.53 0.00 0.00 176.83 177.52 3nl7 h GLU 90 N 0.64 1.18 0.36 2.24 5.08 -0.93 -0.47 114.58 122.68 3nl7 h GLU 90 Ca 0.07 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3nl7 h GLU 90 Cb 0.85 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3nl7 h GLU 90 CO 0.07 0.93 -0.17 1.25 -1.00 0.00 0.00 179.01 180.09 3nl7 h LEU 91 N 1.15 -0.41 -0.23 1.33 5.85 -1.03 -1.31 115.31 120.65 3nl7 h LEU 91 Ca 0.27 -0.09 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 3nl7 h LEU 91 Cb 0.16 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3nl7 h LEU 91 CO -0.03 -0.15 -0.67 0.45 -0.34 0.00 0.00 178.44 177.70 3nl7 h HIS 92 N -0.67 0.00 0.00 1.25 3.86 -1.01 -0.83 115.15 117.76 3nl7 h HIS 92 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3nl7 h HIS 92 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3nl7 h HIS 92 CO -0.01 0.67 -0.33 0.00 0.86 0.00 0.00 177.93 179.13 3nl7 h ASP 94 N -0.44 0.95 0.01 0.00 3.45 -1.37 -2.40 116.42 116.62 3nl7 h ASP 94 Ca 0.00 -0.25 -0.24 0.00 0.43 0.00 0.00 57.03 56.97 3nl7 h ASP 94 Cb 0.33 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.81 3nl7 h ASP 94 CO 0.00 0.99 -1.33 0.50 -1.57 0.00 0.00 179.24 177.83 3nl7 h LYS 95 N 0.91 0.03 0.00 3.56 3.11 -1.10 -3.42 116.57 119.66 3nl7 h LYS 95 Ca 0.17 -0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 57.83 3nl7 h LYS 95 Cb 0.50 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.72 3nl7 h LYS 95 CO 0.02 1.02 -1.57 1.28 -2.81 0.00 0.00 179.45 177.40 3nl7 n LEU 96 N -4.33 0.58 -3.72 5.20 4.77 -0.34 -4.98 117.00 114.17 3nl7 n LEU 96 Ca -0.32 0.25 -0.25 0.00 -0.03 0.00 0.00 56.01 55.65 3nl7 n LEU 96 Cb 0.72 0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.95 3nl7 n LEU 96 CO 0.21 0.09 0.13 1.41 -1.33 0.00 0.00 177.39 177.91 3nl7 n HIS 97 N -2.70 -2.45 -2.38 -1.77 8.25 -0.90 -4.96 115.22 108.30 3nl7 n HIS 97 Ca -0.09 0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 57.89 3nl7 n HIS 97 Cb 0.77 -4.54 -0.03 0.00 1.12 0.00 0.00 29.99 27.31 3nl7 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3nl7 s VAL 98 N -3.37 3.94 0.25 1.59 1.01 -0.45 -4.99 120.40 118.38 3nl7 s VAL 98 Ca 0.47 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 3nl7 s VAL 98 Cb -0.22 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.17 3nl7 s VAL 98 CO 0.78 0.10 1.44 -0.62 0.00 0.00 0.00 175.10 176.80 3nl7 s ASP 99 N 1.11 6.66 0.42 3.32 2.15 -1.26 -4.79 116.67 124.27 3nl7 s ASP 99 Ca 0.60 2.66 0.29 0.00 0.43 0.00 0.00 52.55 56.53 3nl7 s ASP 99 Cb -0.30 -2.62 1.44 0.00 -0.30 0.00 0.00 42.92 41.13 3nl7 s ASP 99 CO 0.29 -0.70 1.89 1.55 -0.17 0.00 0.00 175.17 178.03 3nl7 h PRO 100 N 5.06 0.00 -0.60 4.34 0.13 -1.96 -0.95 132.00 138.02 3nl7 h PRO 100 Ca -0.46 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 3nl7 h PRO 100 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3nl7 h PRO 100 CO 0.78 0.00 0.41 1.49 -0.23 0.00 0.00 178.00 180.45 3nl7 h GLU 101 N 0.00 0.27 0.00 0.86 4.57 -1.99 -1.40 114.58 116.89 3nl7 h GLU 101 Ca 0.00 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3nl7 h GLU 101 Cb 0.18 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3nl7 h GLU 101 CO 0.00 0.18 -0.12 -0.91 -1.18 0.00 0.00 179.01 176.98 3nl7 h ASN 102 N 0.28 0.00 -0.16 1.04 2.35 -1.53 -1.37 115.58 116.19 3nl7 h ASN 102 Ca 0.28 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.89 3nl7 h ASN 102 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 3nl7 h ASN 102 CO -0.06 0.12 -0.39 -0.26 -1.65 0.00 0.00 177.43 175.18 3nl7 h PHE 103 N 0.00 0.83 -0.39 1.19 0.04 -1.41 -0.40 116.94 116.80 3nl7 h PHE 103 Ca -0.00 -0.24 -0.07 0.00 2.80 0.00 0.00 57.97 60.46 3nl7 h PHE 103 Cb 0.57 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 3nl7 h PHE 103 CO 0.00 0.98 -0.02 -0.09 -0.60 0.00 0.00 178.31 178.58 3nl7 h ARG 104 N 0.57 0.69 -0.37 1.51 2.43 -1.34 -1.78 114.38 116.09 3nl7 h ARG 104 Ca 0.05 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3nl7 h ARG 104 Cb 0.92 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3nl7 h ARG 104 CO 0.08 0.80 0.17 -0.07 -1.51 0.00 0.00 179.97 179.44 3nl7 h LEU 105 N 0.51 0.49 -1.00 3.80 3.38 -1.08 -1.55 115.31 119.86 3nl7 h LEU 105 Ca 0.11 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3nl7 h LEU 105 Cb 0.49 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3nl7 h LEU 105 CO 0.02 0.49 0.16 0.25 0.09 0.00 0.00 178.44 179.45 3nl7 h LEU 106 N 0.46 0.82 -0.51 1.67 5.85 -1.01 -0.15 115.31 122.44 3nl7 h LEU 106 Ca 0.13 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3nl7 h LEU 106 Cb 0.13 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3nl7 h LEU 106 CO -0.02 0.79 0.25 1.23 -0.34 0.00 0.00 178.44 180.35 3nl7 h GLY 107 N 0.99 0.72 1.61 3.75 0.00 -0.94 0.66 103.07 109.86 3nl7 h GLY 107 Ca 0.19 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 3nl7 h GLY 107 CO -0.01 0.10 -0.62 3.43 0.00 0.00 0.00 176.54 179.44 3nl7 h ASN 108 N 0.49 0.45 -0.38 0.19 2.35 -0.65 -1.03 115.58 117.00 3nl7 h ASN 108 Ca 0.23 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3nl7 h ASN 108 Cb 0.15 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3nl7 h ASN 108 CO -0.17 0.96 0.13 0.58 -1.65 0.00 0.00 177.43 177.28 3nl7 h VAL 109 N 0.29 1.21 -0.81 2.81 2.07 -0.54 -0.65 116.25 120.63 3nl7 h VAL 109 Ca -0.01 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.94 3nl7 h VAL 109 Cb 1.16 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 3nl7 h VAL 109 CO 0.11 0.24 0.45 0.25 0.02 0.00 0.00 177.57 178.63 3nl7 h LEU 110 N 0.47 0.61 -0.57 2.57 5.85 -0.59 -0.20 115.31 123.46 3nl7 h LEU 110 Ca 0.12 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3nl7 h LEU 110 Cb 0.24 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3nl7 h LEU 110 CO -0.01 0.34 0.33 0.58 -0.34 0.00 0.00 178.44 179.34 3nl7 h VAL 111 N 0.73 1.03 -0.51 1.05 2.07 -0.54 -1.04 116.25 119.04 3nl7 h VAL 111 Ca 0.40 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.66 3nl7 h VAL 111 Cb 0.41 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3nl7 h VAL 111 CO -0.27 0.12 0.17 0.00 0.02 0.00 0.00 177.57 177.60 3nl7 h VAL 113 N 0.74 1.26 -0.86 0.00 2.07 -0.58 -0.86 116.25 118.02 3nl7 h VAL 113 Ca 0.17 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3nl7 h VAL 113 Cb 0.21 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3nl7 h VAL 113 CO -0.01 0.32 0.52 -0.07 0.02 0.00 0.00 177.57 178.36 3nl7 h LEU 114 N 0.49 1.02 -0.60 2.57 3.38 -0.82 -0.56 115.31 120.79 3nl7 h LEU 114 Ca 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3nl7 h LEU 114 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3nl7 h LEU 114 CO 0.02 0.78 0.26 0.00 0.09 0.00 0.00 178.44 179.59 3nl7 h ALA 115 N 1.28 0.77 -0.55 1.53 0.00 -1.05 -0.11 119.26 121.13 3nl7 h ALA 115 Ca 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3nl7 h ALA 115 Cb -0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3nl7 h ALA 115 CO -0.06 0.36 0.28 1.25 0.00 0.00 0.00 179.25 181.09 3nl7 h HIS 116 N 0.82 0.78 0.01 0.00 -0.00 -0.68 0.12 115.15 116.21 3nl7 h HIS 116 Ca 0.20 -0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.34 3nl7 h HIS 116 Cb 0.16 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 3nl7 h HIS 116 CO 0.00 0.59 -0.92 0.45 -0.00 0.00 0.00 177.93 178.06 3nl7 h HIS 117 N 0.74 0.25 0.00 5.26 -0.00 -0.95 -3.34 115.15 117.11 3nl7 h HIS 117 Ca 0.19 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3nl7 h HIS 117 Cb 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 3nl7 h HIS 117 CO -0.01 0.99 -0.86 1.19 -0.00 0.00 0.00 177.93 179.24 3nl7 n PHE 118 N -3.61 0.00 0.00 2.45 3.01 -0.07 -5.04 117.46 114.20 3nl7 n PHE 118 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3nl7 n PHE 118 Cb 0.84 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.26 3nl7 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3nl7 n GLY 119 N 1.39 3.64 0.29 1.37 0.00 0.42 -2.04 105.19 110.26 3nl7 n GLY 119 Ca 0.02 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.19 3nl7 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3nl7 h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 -1.28 116.57 117.03 3nl7 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 3nl7 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3nl7 h LYS 120 CO 0.00 0.06 -0.12 1.49 -2.00 0.00 0.00 179.45 178.87 3nl7 h GLU 121 N 0.00 0.00 -3.54 0.07 4.81 -1.80 -3.24 114.58 110.88 3nl7 h GLU 121 Ca -0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 3nl7 h GLU 121 Cb 0.24 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.54 3nl7 h GLU 121 CO 0.01 0.12 2.72 0.34 -0.73 0.00 0.00 179.01 181.48 3nl7 n PHE 122 N -3.50 3.06 -1.02 0.92 7.35 -0.48 -4.93 117.46 118.86 3nl7 n PHE 122 Ca -0.01 -2.90 -0.30 0.00 -0.76 0.00 0.00 57.45 53.48 3nl7 n PHE 122 Cb 0.28 -2.24 0.16 0.00 0.35 0.00 0.00 39.48 38.03 3nl7 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3nl7 s THR 123 N 1.52 2.43 0.35 -2.13 -4.23 -1.22 -4.65 115.64 107.70 3nl7 s THR 123 Ca 0.48 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 61.15 3nl7 s THR 123 Cb 0.13 -2.49 0.26 0.00 1.34 0.00 0.00 72.50 71.74 3nl7 s THR 123 CO -0.05 -0.18 2.01 -0.65 -0.54 0.00 0.00 174.62 175.21 3nl7 h PRO 124 N -1.81 0.84 -0.08 3.99 0.11 -1.94 0.12 132.00 133.23 3nl7 h PRO 124 Ca -0.51 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.43 3nl7 h PRO 124 Cb 1.29 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3nl7 h PRO 124 CO 0.53 0.56 -0.47 -1.35 -0.21 0.00 0.00 178.00 177.05 3nl7 h PRO 125 N 0.86 0.19 -0.24 1.05 0.11 -1.99 -1.31 132.00 130.67 3nl7 h PRO 125 Ca 0.23 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 3nl7 h PRO 125 Cb -0.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3nl7 h PRO 125 CO -0.05 0.63 -0.00 0.28 -0.21 0.00 0.00 178.00 178.65 3nl7 h VAL 126 N 0.16 1.26 -0.69 3.15 2.07 -1.70 -2.26 116.25 118.24 3nl7 h VAL 126 Ca 0.01 -0.91 0.10 0.00 0.82 0.00 0.00 66.70 66.72 3nl7 h VAL 126 Cb 0.89 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 3nl7 h VAL 126 CO 0.07 0.28 0.32 -0.61 0.02 0.00 0.00 177.57 177.65 3nl7 h GLN 127 N 0.21 0.52 -0.61 1.57 4.15 -0.94 -1.56 115.11 118.45 3nl7 h GLN 127 Ca 0.07 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3nl7 h GLN 127 Cb 0.41 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 3nl7 h GLN 127 CO 0.01 0.35 0.25 0.00 -1.93 0.00 0.00 178.83 177.51 3nl7 h ALA 128 N 1.43 1.29 -0.44 3.38 0.00 -0.86 0.50 119.26 124.56 3nl7 h ALA 128 Ca 0.34 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3nl7 h ALA 128 Cb 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3nl7 h ALA 128 CO -0.29 0.53 -0.09 0.00 0.00 0.00 0.00 179.25 179.40 3nl7 h ALA 129 N 1.40 0.61 -0.21 0.00 0.00 -0.92 -2.53 119.26 117.61 3nl7 h ALA 129 Ca 0.21 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3nl7 h ALA 129 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3nl7 h ALA 129 CO -0.02 0.48 -0.15 1.88 0.00 0.00 0.00 179.25 181.44 3nl7 h TYR 130 N 0.67 0.37 -0.31 0.00 0.05 -0.49 -2.12 116.97 115.14 3nl7 h TYR 130 Ca 0.11 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 3nl7 h TYR 130 Cb 0.62 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3nl7 h TYR 130 CO 0.05 0.49 -0.09 1.96 -1.05 0.00 0.00 178.16 179.52 3nl7 h GLN 131 N 0.32 0.51 -0.58 4.88 1.08 -0.72 -0.22 115.11 120.38 3nl7 h GLN 131 Ca 0.06 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 3nl7 h GLN 131 Cb 0.47 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 3nl7 h GLN 131 CO 0.03 0.61 0.01 0.87 -0.95 0.00 0.00 178.83 179.39 3nl7 h LYS 132 N 0.48 1.02 -0.15 1.46 1.57 -0.98 -1.44 116.57 118.53 3nl7 h LYS 132 Ca 0.09 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3nl7 h LYS 132 Cb 0.45 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3nl7 h LYS 132 CO 0.02 1.00 0.02 0.28 -0.57 0.00 0.00 179.45 180.20 3nl7 h VAL 133 N 0.91 1.23 0.00 0.50 2.07 -0.90 -1.15 116.25 118.91 3nl7 h VAL 133 Ca 0.16 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 3nl7 h VAL 133 Cb 0.54 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3nl7 h VAL 133 CO 0.03 0.22 -0.54 -0.37 0.02 0.00 0.00 177.57 176.93 3nl7 h VAL 134 N 0.02 1.33 -0.63 2.57 -1.51 -1.02 -1.27 116.25 115.75 3nl7 h VAL 134 Ca 0.04 -1.89 -0.08 0.00 -1.23 0.00 0.00 66.70 63.54 3nl7 h VAL 134 Cb 0.33 2.04 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 3nl7 h VAL 134 CO 0.00 0.53 0.06 0.00 -1.23 0.00 0.00 177.57 176.94 3nl7 h ALA 135 N 1.46 0.84 -0.58 5.19 0.00 -1.24 -1.63 119.26 123.29 3nl7 h ALA 135 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3nl7 h ALA 135 Cb 0.99 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3nl7 h ALA 135 CO 0.07 0.63 0.34 0.78 0.00 0.00 0.00 179.25 181.07 3nl7 h GLY 136 N 0.97 0.85 0.91 0.00 0.00 -0.52 -1.14 103.07 104.13 3nl7 h GLY 136 Ca 0.19 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 3nl7 h GLY 136 CO 0.02 0.35 -0.19 -2.08 0.00 0.00 0.00 176.54 174.64 3nl7 h VAL 137 N 0.79 1.30 -0.72 4.60 2.07 -1.24 -1.39 116.25 121.67 3nl7 h VAL 137 Ca 0.21 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.41 3nl7 h VAL 137 Cb -0.00 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3nl7 h VAL 137 CO -0.04 0.42 0.48 0.00 0.02 0.00 0.00 177.57 178.45 3nl7 h ALA 138 N 0.72 0.91 -0.48 1.67 0.00 -1.17 0.62 119.26 121.54 3nl7 h ALA 138 Ca 0.05 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3nl7 h ALA 138 Cb 0.73 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3nl7 h ALA 138 CO 0.05 0.33 -0.10 -0.91 0.00 0.00 0.00 179.25 178.62 3nl7 h ASN 139 N 0.97 0.87 -0.43 0.00 2.35 -1.09 -1.65 115.58 116.60 3nl7 h ASN 139 Ca 0.26 -0.27 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 3nl7 h ASN 139 Cb -0.11 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 3nl7 h ASN 139 CO -0.06 0.99 -0.26 0.00 -1.65 0.00 0.00 177.43 176.46 3nl7 h ALA 140 N 1.09 0.61 0.00 -0.83 0.00 -0.84 -2.89 119.26 116.39 3nl7 h ALA 140 Ca 0.13 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3nl7 h ALA 140 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3nl7 h ALA 140 CO 0.04 0.62 -0.22 1.25 0.00 0.00 0.00 179.25 180.94 3nl7 h LEU 141 N 0.76 0.00 -1.27 0.00 5.85 -0.62 -1.63 115.31 118.40 3nl7 h LEU 141 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3nl7 h LEU 141 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3nl7 h LEU 141 CO 0.07 0.22 0.00 0.00 -0.34 0.00 0.00 178.44 178.39 3nl7 n ALA 142 N -2.26 2.48 -0.21 1.25 0.00 -0.64 -4.35 120.51 116.77 3nl7 n ALA 142 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 53.44 52.89 3nl7 n ALA 142 Cb 0.38 -1.02 0.33 0.00 0.00 0.00 0.00 19.45 19.13 3nl7 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3nl7 h HIS 143 N 2.27 0.83 0.00 0.00 6.17 -1.15 0.11 115.15 123.38 3nl7 h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 3nl7 h HIS 143 Cb 0.51 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.16 3nl7 h HIS 143 CO 0.18 0.44 0.00 0.87 0.71 0.00 0.00 177.93 180.13 3nl7 h LYS 144 N 0.82 0.00 0.00 5.26 1.79 -1.83 -0.39 116.57 122.22 3nl7 h LYS 144 Ca 0.33 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.77 3nl7 h LYS 144 Cb 0.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 3nl7 h LYS 144 CO -0.12 0.00 -0.69 1.88 -1.08 0.00 0.00 179.45 179.44 3nl7 h TYR 145 N 0.00 0.00 -0.02 -1.35 0.05 -1.30 -3.48 116.97 110.87 3nl7 h TYR 145 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3nl7 h TYR 145 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 3nl7 h TYR 145 CO 0.00 0.14 0.00 0.72 -1.05 0.00 0.00 178.16 177.97