#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4p s THR 10 N 0.00 4.20 0.30 -0.44 -4.23 -1.26 -4.97 115.64 109.24 3b4p s THR 10 Ca 0.00 0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.68 3b4p s THR 10 Cb 0.00 -3.64 0.08 0.00 1.34 0.00 0.00 72.50 70.28 3b4p s THR 10 CO 0.00 -0.65 1.75 0.77 -0.54 0.00 0.00 174.62 175.95 3b4p h SER 11 N -0.03 0.38 -0.33 3.99 4.64 -2.05 -0.98 113.55 119.17 3b4p h SER 11 Ca -0.46 -0.13 0.07 0.00 -0.47 0.00 0.00 61.79 60.81 3b4p h SER 11 Cb 1.23 -0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 63.14 3b4p h SER 11 CO 0.61 0.65 -0.19 -0.33 -0.87 0.00 0.00 176.83 176.69 3b4p h GLU 12 N 0.33 -0.14 0.18 4.77 5.08 -2.00 0.41 114.58 123.21 3b4p h GLU 12 Ca 0.05 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3b4p h GLU 12 Cb 0.65 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3b4p h GLU 12 CO 0.05 -0.10 -0.09 -0.91 -1.00 0.00 0.00 179.01 176.97 3b4p h ASN 13 N -0.15 -0.20 -1.10 1.42 2.35 -1.92 -3.09 115.58 112.89 3b4p h ASN 13 Ca 0.17 -0.32 0.39 0.00 -0.55 0.00 0.00 56.30 55.99 3b4p h ASN 13 Cb 0.41 0.05 -0.15 0.00 0.05 0.00 0.00 38.32 38.68 3b4p h ASN 13 CO -0.42 0.28 0.65 0.03 -1.65 0.00 0.00 177.43 176.32 3b4p h ARG 14 N -0.76 0.14 -0.31 0.81 3.08 -1.04 0.34 114.38 116.64 3b4p h ARG 14 Ca -0.02 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3b4p h ARG 14 Cb 0.51 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3b4p h ARG 14 CO 0.04 0.09 0.18 0.00 -1.07 0.00 0.00 179.97 179.21 3b4p h ALA 15 N 1.82 0.39 -0.24 0.04 0.00 -0.84 -1.43 119.26 119.00 3b4p h ALA 15 Ca 0.80 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.51 3b4p h ALA 15 Cb 2.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 3b4p h ALA 15 CO -0.60 -0.09 -0.41 1.96 0.00 0.00 0.00 179.25 180.11 3b4p h GLN 16 N 0.39 0.70 -0.87 0.00 4.20 -0.40 -0.93 115.11 118.20 3b4p h GLN 16 Ca 0.11 -0.44 0.12 0.00 0.06 0.00 0.00 58.65 58.50 3b4p h GLN 16 Cb 0.03 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.78 3b4p h GLN 16 CO -0.02 1.06 0.50 0.28 -0.67 0.00 0.00 178.83 179.97 3b4p h VAL 17 N 0.42 0.85 -0.10 -0.54 2.07 -0.69 0.18 116.25 118.44 3b4p h VAL 17 Ca 0.02 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3b4p h VAL 17 Cb 1.01 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3b4p h VAL 17 CO 0.09 0.14 0.04 0.00 0.02 0.00 0.00 177.57 177.87 3b4p h ALA 18 N 1.51 0.13 -0.49 1.67 0.00 -1.04 0.14 119.26 121.18 3b4p h ALA 18 Ca 0.44 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3b4p h ALA 18 Cb 0.49 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3b4p h ALA 18 CO -0.29 -0.29 0.27 0.00 0.00 0.00 0.00 179.25 178.94 3b4p h ALA 19 N 0.89 0.63 -0.43 0.00 0.00 -0.27 0.89 119.26 120.97 3b4p h ALA 19 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3b4p h ALA 19 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3b4p h ALA 19 CO -0.00 -0.05 -0.26 -0.09 0.00 0.00 0.00 179.25 178.85 3b4p h ARG 20 N 0.54 0.94 -0.46 0.00 2.43 -0.37 0.25 114.38 117.71 3b4p h ARG 20 Ca 0.21 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 3b4p h ARG 20 Cb 0.07 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3b4p h ARG 20 CO -0.12 1.09 0.10 0.37 -1.51 0.00 0.00 179.97 179.91 3b4p h GLN 21 N 0.78 0.75 0.15 0.20 4.15 -0.43 -0.20 115.11 120.50 3b4p h GLN 21 Ca 0.09 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 3b4p h GLN 21 Cb 0.84 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.43 3b4p h GLN 21 CO 0.07 0.74 -0.07 1.25 -1.93 0.00 0.00 178.83 178.90 3b4p h HIS 22 N 0.62 -0.19 -0.78 3.99 2.76 -0.61 -2.82 115.15 118.13 3b4p h HIS 22 Ca 0.14 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 3b4p h HIS 22 Cb 0.34 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.33 3b4p h HIS 22 CO 0.02 0.03 0.41 -0.91 -1.30 0.00 0.00 177.93 176.19 3b4p h ASN 23 N -0.39 0.97 -0.82 3.26 2.35 -0.38 -2.04 115.58 118.53 3b4p h ASN 23 Ca -0.02 -0.09 0.11 0.00 -0.55 0.00 0.00 56.30 55.75 3b4p h ASN 23 Cb 0.31 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.37 3b4p h ASN 23 CO 0.03 0.79 0.54 -0.09 -1.65 0.00 0.00 177.43 177.05 3b4p h ARG 24 N 1.09 0.70 -0.13 0.81 2.43 -0.97 -0.93 114.38 117.38 3b4p h ARG 24 Ca 0.27 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 3b4p h ARG 24 Cb 0.05 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3b4p h ARG 24 CO -0.04 0.46 -0.43 0.87 -1.51 0.00 0.00 179.97 179.32 3b4p h LYS 25 N 0.72 0.29 -0.06 0.20 1.79 -1.11 -0.71 116.57 117.70 3b4p h LYS 25 Ca 0.39 -0.15 -0.23 0.00 -2.18 0.00 0.00 60.65 58.48 3b4p h LYS 25 Cb 0.52 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.18 3b4p h LYS 25 CO -0.16 0.68 -0.90 0.82 -1.08 0.00 0.00 179.45 178.81 3b4p h ILE 26 N 0.24 1.32 -0.85 1.86 1.08 -1.09 -1.26 117.51 118.82 3b4p h ILE 26 Ca 0.02 -2.19 0.04 0.00 -0.39 0.00 0.00 64.86 62.35 3b4p h ILE 26 Cb 0.87 2.22 -0.05 0.00 -3.07 0.00 0.00 36.82 36.79 3b4p h ILE 26 CO 0.07 0.67 0.54 0.58 -0.69 0.00 0.00 178.15 179.32 3b4p h VAL 27 N 0.39 1.10 -0.27 1.67 2.07 -0.84 -0.67 116.25 119.70 3b4p h VAL 27 Ca -0.08 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3b4p h VAL 27 Cb 1.53 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3b4p h VAL 27 CO 0.17 0.19 0.12 -0.33 0.02 0.00 0.00 177.57 177.74 3b4p h GLU 28 N 1.02 0.40 -0.24 1.57 5.08 -1.00 -0.71 114.58 120.70 3b4p h GLU 28 Ca 0.35 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3b4p h GLU 28 Cb 0.07 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3b4p h GLU 28 CO -0.14 0.40 -0.03 1.96 -1.00 0.00 0.00 179.01 180.20 3b4p h GLN 29 N 0.30 0.03 -0.29 2.33 4.20 -0.90 -1.41 115.11 119.37 3b4p h GLN 29 Ca 0.09 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.82 3b4p h GLN 29 Cb 0.14 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3b4p h GLN 29 CO -0.01 0.02 0.15 -0.92 -0.67 0.00 0.00 178.83 177.40 3b4p h TYR 30 N 0.03 0.27 0.00 2.96 3.20 -0.79 -2.00 116.97 120.66 3b4p h TYR 30 Ca 0.11 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3b4p h TYR 30 Cb 0.16 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3b4p h TYR 30 CO -0.22 0.15 -0.19 0.52 -1.64 0.00 0.00 178.16 176.78 3b4p h MET 31 N 0.31 0.00 -0.08 1.82 2.86 -0.79 -2.56 114.93 116.50 3b4p h MET 31 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3b4p h MET 31 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3b4p h MET 31 CO -0.08 0.19 0.00 0.72 1.06 0.00 0.00 176.91 178.80 3b4p n HIS 32 N -3.32 0.07 -2.20 -0.22 8.25 -0.56 -4.57 115.22 112.67 3b4p n HIS 32 Ca 0.00 -0.04 -0.42 0.00 -0.26 0.00 0.00 57.72 57.00 3b4p n HIS 32 Cb 0.43 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 3b4p n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3b4p s THR 33 N -1.93 3.80 0.20 1.59 2.01 -0.79 -5.02 115.64 115.51 3b4p s THR 33 Ca 0.33 1.07 0.03 0.00 0.31 0.00 0.00 61.69 63.43 3b4p s THR 33 Cb 0.20 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 3b4p s THR 33 CO 0.31 -0.06 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.04 3b4p s ARG 34 N 3.21 1.23 3.50 4.92 0.52 -1.26 -4.81 118.95 126.26 3b4p s ARG 34 Ca 0.65 -1.60 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 3b4p s ARG 34 Cb -0.30 -0.51 0.00 0.00 0.52 0.00 0.00 34.95 34.66 3b4p s ARG 34 CO 0.25 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.89 3b4p n GLY 35 N -0.34 0.47 0.43 -3.53 0.00 -1.26 -3.02 105.19 97.94 3b4p n GLY 35 Ca -0.06 -0.81 0.23 0.00 0.00 0.00 0.00 46.02 45.38 3b4p n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3b4p h GLU 36 N 0.00 0.19 0.00 1.61 4.39 -2.00 0.11 114.58 118.89 3b4p h GLU 36 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3b4p h GLU 36 Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3b4p h GLU 36 CO 0.00 0.13 0.19 0.00 -1.16 0.00 0.00 179.01 178.17 3b4p h ALA 37 N 1.60 1.19 0.00 3.43 0.00 -1.95 -0.65 119.26 122.88 3b4p h ALA 37 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3b4p h ALA 37 Cb 1.40 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3b4p h ALA 37 CO -0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 179.25 178.91 3b4p h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -0.88 -2.54 114.38 114.04 3b4p h ARG 38 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3b4p h ARG 38 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3b4p h ARG 38 CO 0.00 0.06 0.00 1.28 -1.07 0.00 0.00 179.97 180.24 3b4p n LEU 39 N -4.24 0.45 -0.41 3.04 4.77 -0.25 -2.60 117.00 117.75 3b4p n LEU 39 Ca -0.03 0.62 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 3b4p n LEU 39 Cb 0.14 -0.57 0.10 0.00 -2.33 0.00 0.00 43.42 40.76 3b4p n LEU 39 CO 0.33 -0.49 0.58 0.29 -1.33 0.00 0.00 177.39 176.77 3b4p n LYS 40 N -2.00 2.91 0.20 3.23 5.02 -0.96 -4.66 118.16 121.89 3b4p n LYS 40 Ca 0.02 -1.87 0.07 0.00 -2.02 0.00 0.00 58.31 54.52 3b4p n LYS 40 Cb 0.19 -1.18 0.33 0.00 -0.02 0.00 0.00 35.03 34.35 3b4p n LYS 40 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3b4p h ARG 41 N 1.27 0.00 -0.18 1.97 2.43 -1.49 -1.98 114.38 116.41 3b4p h ARG 41 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3b4p h ARG 41 Cb 0.66 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3b4p h ARG 41 CO 0.00 0.31 0.15 1.12 -1.51 0.00 0.00 179.97 180.05 3b4p h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.83 -0.12 115.15 117.47 3b4p h HIS 42 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3b4p h HIS 42 Cb 0.93 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.91 3b4p h HIS 42 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3b4p n LEU 43 N -4.13 0.02 -0.12 6.12 4.77 -0.75 -2.48 117.00 120.43 3b4p n LEU 43 Ca 0.01 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.64 3b4p n LEU 43 Cb 0.28 -0.51 0.56 0.00 -2.33 0.00 0.00 43.42 41.42 3b4p n LEU 43 CO 0.31 -0.45 0.82 0.18 -1.33 0.00 0.00 177.39 176.92 3b4p n LEU 44 N -1.53 0.52 -4.91 2.23 4.77 -0.06 -4.86 117.00 113.16 3b4p n LEU 44 Ca 0.01 -0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 3b4p n LEU 44 Cb 0.04 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3b4p n LEU 44 CO 0.04 0.10 0.13 -0.36 -1.33 0.00 0.00 177.39 175.97 3b4p s PHE 45 N -2.54 3.48 0.85 -1.77 0.08 -1.04 -0.95 117.98 116.10 3b4p s PHE 45 Ca 0.26 0.54 -0.13 0.00 0.12 0.00 0.00 56.93 57.72 3b4p s PHE 45 Cb 0.20 -2.02 0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3b4p s PHE 45 CO 0.50 0.26 0.71 0.25 -0.10 0.00 0.00 175.22 176.84 3b4p n THR 46 N -0.75 0.97 -0.10 0.64 -2.24 -0.08 -4.72 114.28 108.00 3b4p n THR 46 Ca -0.03 -0.23 0.08 0.00 -2.27 0.00 0.00 64.05 61.61 3b4p n THR 46 Cb 0.54 -0.83 0.43 0.00 -2.10 0.00 0.00 70.33 68.36 3b4p n THR 46 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3b4p h GLU 47 N -1.13 0.55 -0.66 -0.78 4.57 -1.96 -1.50 114.58 113.67 3b4p h GLU 47 Ca -0.45 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3b4p h GLU 47 Cb 1.30 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3b4p h GLU 47 CO 0.40 0.37 0.00 -0.40 -1.18 0.00 0.00 179.01 178.20 3b4p n ASP 48 N -4.48 4.33 -4.74 1.04 3.85 -1.26 -1.44 116.55 113.86 3b4p n ASP 48 Ca 0.09 -2.26 -0.34 0.00 -0.71 0.00 0.00 54.79 51.57 3b4p n ASP 48 Cb 0.25 -0.52 0.07 0.00 -1.35 0.00 0.00 41.12 39.57 3b4p n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3b4p s GLY 49 N -0.98 2.37 -0.02 6.12 0.00 -0.56 -4.21 107.32 110.04 3b4p s GLY 49 Ca 0.49 0.81 0.08 0.00 0.00 0.00 0.00 44.72 46.09 3b4p s GLY 49 CO 0.27 1.19 -0.25 0.14 0.00 0.00 0.00 173.10 174.45 3b4p s VAL 50 N -2.01 2.01 0.20 1.40 1.01 -0.60 0.44 120.40 122.84 3b4p s VAL 50 Ca 0.73 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3b4p s VAL 50 Cb -0.27 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3b4p s VAL 50 CO 0.41 0.57 0.08 -0.83 0.00 0.00 0.00 175.10 175.33 3b4p s GLY 51 N -0.56 1.39 0.00 4.51 0.00 -0.58 -0.89 107.32 111.18 3b4p s GLY 51 Ca 0.09 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.12 3b4p s GLY 51 CO -0.01 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.22 3b4p n GLY 52 N -0.29 0.07 3.37 0.20 0.00 -1.13 0.52 105.19 107.94 3b4p n GLY 52 Ca -0.02 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 3b4p n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3b4p s LEU 53 N 0.00 4.11 0.00 0.99 2.96 -0.31 -1.68 118.68 124.74 3b4p s LEU 53 Ca 0.00 -0.73 0.27 0.00 -0.22 0.00 0.00 54.13 53.45 3b4p s LEU 53 Cb 0.00 -1.94 0.85 0.00 0.50 0.00 0.00 46.19 45.60 3b4p s LEU 53 CO 0.00 -0.23 1.64 0.79 -1.32 0.00 0.00 176.35 177.23 3b4p n TRP 54 N 4.92 0.00 -3.96 5.38 8.01 -0.07 -0.73 117.44 130.99 3b4p n TRP 54 Ca -0.14 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.75 3b4p n TRP 54 Cb 0.48 -0.26 -0.14 0.00 -2.01 0.00 0.00 31.31 29.38 3b4p n TRP 54 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3b4p s THR 55 N -2.79 2.32 0.29 -0.99 -4.23 -1.24 -4.63 115.64 104.37 3b4p s THR 55 Ca 0.18 -2.77 0.11 0.00 -1.18 0.00 0.00 61.69 58.03 3b4p s THR 55 Cb 0.19 -2.66 -0.05 0.00 1.34 0.00 0.00 72.50 71.31 3b4p s THR 55 CO 0.58 -0.71 -0.11 0.42 -0.54 0.00 0.00 174.62 174.26 3b4p s THR 56 N 0.35 2.69 0.43 3.99 -4.23 -1.26 -4.70 115.64 112.91 3b4p s THR 56 Ca 0.14 -2.21 0.12 0.00 -1.18 0.00 0.00 61.69 58.56 3b4p s THR 56 Cb -0.22 -2.53 0.19 0.00 1.34 0.00 0.00 72.50 71.27 3b4p s THR 56 CO -0.05 -0.34 1.99 -2.24 -0.54 0.00 0.00 174.62 173.44 3b4p h ASP 57 N 2.09 0.13 1.34 3.99 3.04 -1.96 -2.50 116.42 122.56 3b4p h ASP 57 Ca -0.42 -0.02 -0.04 0.00 -3.24 0.00 0.00 57.03 53.32 3b4p h ASP 57 Cb 1.26 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 39.51 3b4p h ASP 57 CO 0.62 0.25 -0.18 0.77 -2.04 0.00 0.00 179.24 178.66 3b4p h SER 58 N 0.14 0.00 0.00 4.15 4.64 -2.02 -3.46 113.55 117.00 3b4p h SER 58 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3b4p h SER 58 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3b4p h SER 58 CO 0.02 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 3b4p n GLY 59 N 0.60 0.79 3.71 -0.77 0.00 -0.94 -5.05 105.19 103.53 3b4p n GLY 59 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3b4p n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3b4p s GLN 60 N -0.74 2.89 0.62 1.61 -1.52 -1.26 -4.88 119.66 116.38 3b4p s GLN 60 Ca 0.00 -0.55 -0.16 0.00 -1.95 0.00 0.00 55.36 52.70 3b4p s GLN 60 Cb 0.00 -2.74 -0.02 0.00 -0.22 0.00 0.00 33.01 30.03 3b4p s GLN 60 CO 0.00 0.64 1.11 -2.14 -0.25 0.00 0.00 175.29 174.65 3b4p s PRO 61 N -1.49 3.02 -0.55 2.91 0.02 -1.26 -4.59 135.00 133.06 3b4p s PRO 61 Ca 0.19 1.44 -0.17 0.00 0.02 0.00 0.00 61.00 62.49 3b4p s PRO 61 Cb -0.12 -1.98 0.11 0.00 0.02 0.00 0.00 34.50 32.54 3b4p s PRO 61 CO 0.10 -1.08 0.56 0.42 -0.33 0.00 0.00 177.00 176.66 3b4p s ILE 62 N -2.17 5.07 -0.19 2.83 1.01 0.09 -4.98 121.20 122.86 3b4p s ILE 62 Ca 0.68 -1.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 3b4p s ILE 62 Cb -0.21 -4.36 -0.02 0.00 0.01 0.00 0.00 42.46 37.88 3b4p s ILE 62 CO 0.36 -0.92 -0.02 0.00 0.00 0.00 0.00 174.94 174.37 3b4p s ALA 63 N 2.01 2.97 -0.24 9.38 0.00 -1.26 -1.16 121.76 133.46 3b4p s ALA 63 Ca 0.06 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 3b4p s ALA 63 Cb -0.27 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 3b4p s ALA 63 CO 0.05 -0.11 0.06 0.42 0.00 0.00 0.00 175.76 176.18 3b4p s ILE 64 N 0.93 4.29 -0.24 0.00 1.01 0.19 -4.93 121.20 122.45 3b4p s ILE 64 Ca 0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 3b4p s ILE 64 Cb -0.14 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.34 3b4p s ILE 64 CO 0.01 0.36 -0.03 -0.13 0.00 0.00 0.00 174.94 175.15 3b4p s ARG 65 N 1.44 3.13 0.00 2.79 0.52 -1.26 -1.53 118.95 124.04 3b4p s ARG 65 Ca 0.05 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 3b4p s ARG 65 Cb -0.15 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.27 3b4p s ARG 65 CO 0.03 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.45 3b4p n GLY 66 N 4.76 2.60 0.38 -3.53 0.00 0.17 -4.47 105.19 105.10 3b4p n GLY 66 Ca -0.17 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 3b4p n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3b4p h ARG 67 N 0.00 1.30 0.17 1.61 2.43 -1.37 -0.60 114.38 117.93 3b4p h ARG 67 Ca 0.00 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3b4p h ARG 67 Cb 0.00 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.25 3b4p h ARG 67 CO 0.00 0.86 -0.10 1.49 -1.51 0.00 0.00 179.97 180.71 3b4p h GLU 68 N 1.34 -0.25 -0.54 0.20 4.81 -1.89 -1.05 114.58 117.21 3b4p h GLU 68 Ca 0.37 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.58 3b4p h GLU 68 Cb -0.12 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3b4p h GLU 68 CO -0.09 -0.17 0.16 0.87 -0.73 0.00 0.00 179.01 179.05 3b4p h LYS 69 N -0.26 0.81 -0.38 1.92 1.79 -1.69 -1.53 116.57 117.22 3b4p h LYS 69 Ca -0.02 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.25 3b4p h LYS 69 Cb 0.22 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 3b4p h LYS 69 CO 0.02 0.71 0.01 -0.07 -1.08 0.00 0.00 179.45 179.04 3b4p h LEU 70 N 0.78 0.56 -0.29 2.94 3.38 -0.90 0.92 115.31 122.71 3b4p h LEU 70 Ca 0.18 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 3b4p h LEU 70 Cb 0.25 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3b4p h LEU 70 CO -0.01 0.63 -0.56 1.23 0.09 0.00 0.00 178.44 179.82 3b4p h GLY 71 N 0.88 0.97 1.03 0.83 0.00 -0.33 -2.13 103.07 104.32 3b4p h GLY 71 Ca 0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 47.33 46.27 3b4p h GLY 71 CO 0.01 1.03 0.35 0.83 0.00 0.00 0.00 176.54 178.75 3b4p h GLU 72 N 0.67 1.14 -0.16 4.80 5.08 -0.95 -2.75 114.58 122.42 3b4p h GLU 72 Ca 0.01 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3b4p h GLU 72 Cb 1.18 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3b4p h GLU 72 CO 0.13 0.90 -0.13 1.25 -1.00 0.00 0.00 179.01 180.16 3b4p h HIS 73 N 1.11 0.26 -0.40 4.33 2.76 -0.60 -2.35 115.15 120.26 3b4p h HIS 73 Ca 0.26 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 3b4p h HIS 73 Cb 0.16 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 3b4p h HIS 73 CO 0.01 0.37 0.19 0.00 -1.30 0.00 0.00 177.93 177.21 3b4p h ALA 74 N 1.64 1.59 -0.48 5.26 0.00 -1.08 0.33 119.26 126.52 3b4p h ALA 74 Ca 0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3b4p h ALA 74 Cb 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3b4p h ALA 74 CO 0.02 0.34 0.08 0.28 0.00 0.00 0.00 179.25 179.97 3b4p h VAL 75 N 0.56 1.25 -0.25 0.00 2.07 -1.43 -0.76 116.25 117.69 3b4p h VAL 75 Ca 0.14 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.78 3b4p h VAL 75 Cb 0.06 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3b4p h VAL 75 CO -0.02 0.32 0.08 -0.25 0.02 0.00 0.00 177.57 177.72 3b4p h TRP 76 N 0.66 0.15 -0.77 1.57 7.01 -1.44 -2.50 115.95 120.62 3b4p h TRP 76 Ca 0.15 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 3b4p h TRP 76 Cb 0.38 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.38 3b4p h TRP 76 CO 0.03 0.07 0.35 0.77 -2.79 0.00 0.00 178.44 176.86 3b4p h SER 77 N 0.19 1.02 0.49 2.65 0.02 -0.60 -1.78 113.55 115.55 3b4p h SER 77 Ca 0.11 -0.13 -0.14 0.00 -0.84 0.00 0.00 61.79 60.78 3b4p h SER 77 Cb 0.08 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3b4p h SER 77 CO -0.11 0.88 -0.63 0.25 -1.14 0.00 0.00 176.83 176.07 3b4p h LEU 78 N 1.11 0.16 -0.23 5.07 5.85 -1.07 0.29 115.31 126.49 3b4p h LEU 78 Ca 0.26 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.76 3b4p h LEU 78 Cb 0.14 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3b4p h LEU 78 CO -0.03 0.75 -0.35 1.56 -0.34 0.00 0.00 178.44 180.03 3b4p h GLN 79 N 0.10 0.65 0.00 1.25 4.20 -0.94 -3.07 115.11 117.29 3b4p h GLN 79 Ca -0.01 -0.39 -0.15 0.00 0.06 0.00 0.00 58.65 58.17 3b4p h GLN 79 Cb 1.14 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 3b4p h GLN 79 CO 0.09 1.00 -0.79 0.00 -0.67 0.00 0.00 178.83 178.46 3b4p n PHE 81 N -3.22 0.76 0.24 0.00 3.01 0.08 -0.28 117.46 118.05 3b4p n PHE 81 Ca -0.01 -3.72 0.09 0.00 1.01 0.00 0.00 57.45 54.82 3b4p n PHE 81 Cb 0.82 -0.39 0.59 0.00 -0.01 0.00 0.00 39.48 40.49 3b4p n PHE 81 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3b4p h PRO 82 N 4.12 0.00 0.00 -1.08 0.13 -1.70 -3.24 132.00 130.23 3b4p h PRO 82 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3b4p h PRO 82 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3b4p h PRO 82 CO 0.56 0.19 -0.07 -0.40 -0.23 0.00 0.00 178.00 178.05 3b4p n ASP 83 N -3.85 2.02 -4.63 1.44 5.75 -1.26 -4.84 116.55 111.18 3b4p n ASP 83 Ca -0.02 -2.93 -0.47 0.00 -0.01 0.00 0.00 54.79 51.36 3b4p n ASP 83 Cb 0.29 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 3b4p n ASP 83 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3b4p n TRP 84 N -1.24 1.78 -4.08 2.11 -0.00 -1.22 -4.81 117.44 109.99 3b4p n TRP 84 Ca 0.14 0.53 -0.14 0.00 -0.00 0.00 0.00 57.50 58.02 3b4p n TRP 84 Cb 0.65 -2.39 -0.14 0.00 -0.00 0.00 0.00 31.31 29.43 3b4p n TRP 84 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3b4p s VAL 85 N 0.02 0.32 -0.03 5.87 -7.23 -0.98 -4.72 120.40 113.65 3b4p s VAL 85 Ca 0.72 -0.26 -0.14 0.00 -1.81 0.00 0.00 61.98 60.49 3b4p s VAL 85 Cb -0.75 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 3b4p s VAL 85 CO 0.49 0.03 0.36 0.26 -0.31 0.00 0.00 175.10 175.93 3b4p s TRP 86 N -0.24 3.69 0.28 2.82 0.52 -1.26 -2.14 118.94 122.61 3b4p s TRP 86 Ca -0.00 0.90 0.03 0.00 0.02 0.00 0.00 56.10 57.05 3b4p s TRP 86 Cb -0.02 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 3b4p s TRP 86 CO -0.00 0.63 0.18 0.95 0.02 0.00 0.00 176.95 178.73 3b4p s THR 87 N -0.96 0.16 -1.46 2.01 -4.23 -0.20 -4.89 115.64 106.07 3b4p s THR 87 Ca 0.22 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 3b4p s THR 87 Cb -0.16 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.24 3b4p s THR 87 CO 0.11 0.00 0.79 -0.67 -0.54 0.00 0.00 174.62 174.32 3b4p n ASP 88 N -0.89 -4.93 -4.67 3.99 4.64 -1.26 -1.29 116.55 112.14 3b4p n ASP 88 Ca 0.03 -0.56 -0.43 0.00 -1.38 0.00 0.00 54.79 52.46 3b4p n ASP 88 Cb 0.65 -3.97 -0.02 0.00 -1.04 0.00 0.00 41.12 36.73 3b4p n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3b4p s ILE 89 N -3.18 4.09 -0.16 5.18 1.01 -1.26 -4.39 121.20 122.49 3b4p s ILE 89 Ca 0.52 1.37 0.01 0.00 0.00 0.00 0.00 60.65 62.55 3b4p s ILE 89 Cb -0.26 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.35 3b4p s ILE 89 CO 0.64 -0.08 -0.20 -1.10 0.00 0.00 0.00 174.94 174.21 3b4p s GLN 90 N 3.13 3.04 -0.21 2.79 -0.21 -0.12 -5.01 119.66 123.07 3b4p s GLN 90 Ca 0.59 -0.82 -0.08 0.00 0.02 0.00 0.00 55.36 55.07 3b4p s GLN 90 Cb -0.25 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.17 3b4p s GLN 90 CO 0.20 -0.11 0.08 0.42 -2.12 0.00 0.00 175.29 173.76 3b4p s ILE 91 N 1.07 4.75 -0.25 1.08 1.01 -1.26 -1.34 121.20 126.26 3b4p s ILE 91 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 3b4p s ILE 91 Cb -0.14 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 3b4p s ILE 91 CO -0.07 0.40 0.04 -0.36 0.00 0.00 0.00 174.94 174.95 3b4p s PHE 92 N 0.84 3.06 0.58 3.97 0.40 0.13 -5.02 117.98 121.95 3b4p s PHE 92 Ca 0.04 -0.69 -0.16 0.00 -0.60 0.00 0.00 56.93 55.52 3b4p s PHE 92 Cb -0.13 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.15 3b4p s PHE 92 CO 0.02 -0.46 1.05 -1.21 0.70 0.00 0.00 175.22 175.32 3b4p s GLU 93 N 1.55 3.40 0.45 0.44 2.02 -1.26 -1.48 118.70 123.82 3b4p s GLU 93 Ca 0.05 1.17 0.02 0.00 0.02 0.00 0.00 54.97 56.24 3b4p s GLU 93 Cb -0.15 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 3b4p s GLU 93 CO 0.01 -0.74 0.08 0.25 0.02 0.00 0.00 175.26 174.89 3b4p n THR 94 N -1.96 0.00 0.30 3.63 -2.24 -1.21 -4.87 114.28 107.93 3b4p n THR 94 Ca 0.08 -2.35 0.19 0.00 -2.27 0.00 0.00 64.05 59.70 3b4p n THR 94 Cb 0.53 0.68 0.92 0.00 -2.10 0.00 0.00 70.33 70.36 3b4p n THR 94 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 3b4p h GLN 95 N 0.00 0.00 -5.20 -0.78 -0.00 -1.99 -3.39 115.11 103.75 3b4p h GLN 95 Ca -0.36 0.00 -0.63 0.00 -0.00 0.00 0.00 58.65 57.67 3b4p h GLN 95 Cb 1.22 0.00 -0.14 0.00 -0.00 0.00 0.00 27.48 28.56 3b4p h GLN 95 CO 0.58 0.02 -0.18 0.34 -0.00 0.00 0.00 178.83 179.60 3b4p s ASP 96 N -5.57 6.30 0.52 0.06 -1.08 -1.26 -4.97 116.67 110.67 3b4p s ASP 96 Ca -0.02 0.33 0.35 0.00 -0.52 0.00 0.00 52.55 52.69 3b4p s ASP 96 Cb 0.12 -2.23 1.61 0.00 -1.46 0.00 0.00 42.92 40.96 3b4p s ASP 96 CO 0.50 -0.22 2.03 -0.65 0.52 0.00 0.00 175.17 177.35 3b4p h PRO 97 N 8.14 0.00 -0.48 4.34 0.11 -1.91 -2.05 132.00 140.16 3b4p h PRO 97 Ca -0.31 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 3b4p h PRO 97 Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 3b4p h PRO 97 CO 0.66 0.00 0.07 0.09 -0.21 0.00 0.00 178.00 178.62 3b4p n ASN 98 N -2.89 4.39 -3.68 -2.05 3.02 -1.26 -4.16 115.26 108.62 3b4p n ASN 98 Ca -0.00 -3.15 -0.19 0.00 -0.03 0.00 0.00 54.58 51.21 3b4p n ASN 98 Cb 0.20 -0.64 -0.17 0.00 -0.61 0.00 0.00 39.78 38.56 3b4p n ASN 98 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3b4p s TRP 99 N -2.92 -0.01 0.11 3.10 -0.11 -0.77 -0.72 118.94 117.62 3b4p s TRP 99 Ca 0.49 0.34 0.07 0.00 1.22 0.00 0.00 56.10 58.22 3b4p s TRP 99 Cb 0.39 -0.40 -0.04 0.00 -1.50 0.00 0.00 33.47 31.93 3b4p s TRP 99 CO 0.11 -0.20 -0.18 -0.06 -4.62 0.00 0.00 176.95 172.00 3b4p s PHE 100 N 2.09 1.59 0.11 5.86 0.40 0.21 -3.32 117.98 124.92 3b4p s PHE 100 Ca 0.03 -0.46 0.09 0.00 -0.60 0.00 0.00 56.93 55.99 3b4p s PHE 100 Cb -0.12 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 3b4p s PHE 100 CO -0.04 0.18 -0.20 -1.58 0.70 0.00 0.00 175.22 174.28 3b4p s TRP 101 N -1.51 2.48 -0.05 0.36 0.52 -0.55 -1.17 118.94 119.02 3b4p s TRP 101 Ca 0.06 -0.29 0.02 0.00 0.02 0.00 0.00 56.10 55.91 3b4p s TRP 101 Cb -0.08 -1.34 0.01 0.00 -1.15 0.00 0.00 33.47 30.91 3b4p s TRP 101 CO 0.04 0.35 -0.10 0.08 0.02 0.00 0.00 176.95 177.34 3b4p s VAL 102 N -1.09 0.91 -0.16 4.03 1.01 0.10 0.17 120.40 125.37 3b4p s VAL 102 Ca 0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 3b4p s VAL 102 Cb -0.10 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3b4p s VAL 102 CO 0.08 0.29 -0.02 -0.70 0.00 0.00 0.00 175.10 174.75 3b4p s GLU 103 N 0.52 3.70 0.27 2.72 2.12 -0.45 -0.96 118.70 126.62 3b4p s GLU 103 Ca -0.10 -0.50 -0.18 0.00 0.36 0.00 0.00 54.97 54.56 3b4p s GLU 103 Cb -0.13 -2.96 0.01 0.00 0.26 0.00 0.00 34.13 31.31 3b4p s GLU 103 CO 0.02 0.22 0.62 0.00 -0.54 0.00 0.00 175.26 175.58 3b4p s ARG 105 N -3.92 2.59 -0.03 0.00 1.81 -0.42 -0.89 118.95 118.09 3b4p s ARG 105 Ca 0.16 -1.48 -0.30 0.00 -1.72 0.00 0.00 55.73 52.40 3b4p s ARG 105 Cb -0.04 -2.44 0.07 0.00 -0.45 0.00 0.00 34.95 32.09 3b4p s ARG 105 CO 0.08 -0.19 0.66 0.20 -0.68 0.00 0.00 175.30 175.37 3b4p s GLY 106 N -4.16 -0.56 0.18 -3.53 0.00 -0.84 -1.03 107.32 97.38 3b4p s GLY 106 Ca 0.49 1.21 -0.20 0.00 0.00 0.00 0.00 44.72 46.22 3b4p s GLY 106 CO 0.29 0.86 0.56 -1.83 0.00 0.00 0.00 173.10 172.97 3b4p s GLU 107 N -1.39 1.33 0.00 2.90 -1.05 -0.91 -1.42 118.70 118.16 3b4p s GLU 107 Ca -0.10 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.05 3b4p s GLU 107 Cb -0.00 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 3b4p s GLU 107 CO 0.08 -0.57 0.00 0.41 0.95 0.00 0.00 175.26 176.13 3b4p n GLY 108 N -0.35 -0.59 3.77 -3.83 0.00 -0.41 -2.32 105.19 101.45 3b4p n GLY 108 Ca -0.14 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 3b4p n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b4p s ALA 109 N -2.00 3.14 -0.17 4.61 0.00 -1.26 -0.24 121.76 125.84 3b4p s ALA 109 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.16 3b4p s ALA 109 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3b4p s ALA 109 CO 0.00 -0.89 -0.15 -1.50 0.00 0.00 0.00 175.76 173.21 3b4p s ILE 110 N -1.32 2.57 -0.51 0.00 2.07 -0.29 -4.21 121.20 119.52 3b4p s ILE 110 Ca 0.60 -0.79 0.04 0.00 -1.41 0.00 0.00 60.65 59.09 3b4p s ILE 110 Cb -0.37 -2.09 0.16 0.00 0.13 0.00 0.00 42.46 40.29 3b4p s ILE 110 CO 0.46 0.51 0.36 -0.69 -1.91 0.00 0.00 174.94 173.67 3b4p s VAL 111 N 1.00 1.39 -0.09 4.00 1.01 0.61 -1.33 120.40 127.00 3b4p s VAL 111 Ca -0.02 -3.08 -0.05 0.00 0.00 0.00 0.00 61.98 58.83 3b4p s VAL 111 Cb -0.15 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3b4p s VAL 111 CO -0.03 -1.07 0.11 -0.36 0.00 0.00 0.00 175.10 173.75 3b4p s PHE 112 N -0.29 3.46 0.11 5.22 2.99 -1.26 -4.26 117.98 123.95 3b4p s PHE 112 Ca 0.26 0.40 -0.36 0.00 0.00 0.00 0.00 56.93 57.23 3b4p s PHE 112 Cb -0.07 -1.87 -0.15 0.00 0.00 0.00 0.00 43.02 40.92 3b4p s PHE 112 CO -0.13 0.65 1.45 -2.30 -0.00 0.00 0.00 175.22 174.89 3b4p n PRO 113 N 1.81 1.58 -1.00 0.24 -0.02 -1.26 -2.75 135.00 133.60 3b4p n PRO 113 Ca -0.18 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3b4p n PRO 113 Cb 0.54 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3b4p n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b4p n GLY 114 N 2.94 0.68 3.23 -1.23 0.00 -1.26 -5.03 105.19 104.52 3b4p n GLY 114 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 3b4p n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b4p s TYR 115 N -2.73 1.37 0.42 1.61 1.51 -1.11 -5.12 117.35 113.30 3b4p s TYR 115 Ca 0.00 -0.54 -0.25 0.00 -1.01 0.00 0.00 57.07 55.27 3b4p s TYR 115 Cb 0.00 -0.73 -0.08 0.00 -0.11 0.00 0.00 41.96 41.04 3b4p s TYR 115 CO 0.00 0.13 1.23 -2.14 -1.11 0.00 0.00 175.55 173.65 3b4p s PRO 116 N -2.50 3.94 0.35 -1.71 0.02 -1.26 -4.58 135.00 129.25 3b4p s PRO 116 Ca 0.07 1.96 -0.28 0.00 0.02 0.00 0.00 61.00 62.77 3b4p s PRO 116 Cb -0.06 -2.65 -0.12 0.00 0.02 0.00 0.00 34.50 31.69 3b4p s PRO 116 CO 0.03 -0.46 1.39 -2.13 -0.33 0.00 0.00 177.00 175.50 3b4p n ARG 117 N -0.03 2.38 -4.25 5.54 0.63 -1.26 -4.78 116.66 114.89 3b4p n ARG 117 Ca 0.05 0.84 -0.19 0.00 -0.92 0.00 0.00 57.85 57.63 3b4p n ARG 117 Cb 0.46 -2.49 -0.07 0.00 0.45 0.00 0.00 32.46 30.80 3b4p n ARG 117 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3b4p s GLY 118 N -0.18 2.20 -0.21 5.14 0.00 -0.44 -4.99 107.32 108.84 3b4p s GLY 118 Ca 0.55 -1.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.28 3b4p s GLY 118 CO 0.62 -1.39 -0.12 1.62 0.00 0.00 0.00 173.10 173.83 3b4p s GLN 119 N -3.35 3.00 -0.16 2.90 2.00 -1.26 -1.14 119.66 121.64 3b4p s GLN 119 Ca 0.39 -0.85 -0.06 0.00 -2.00 0.00 0.00 55.36 52.84 3b4p s GLN 119 Cb 0.02 -2.81 -0.04 0.00 0.80 0.00 0.00 33.01 30.98 3b4p s GLN 119 CO 0.27 -0.28 0.04 -0.47 -0.50 0.00 0.00 175.29 174.35 3b4p s TYR 120 N 1.33 3.22 0.00 1.67 5.04 0.66 -4.71 117.35 124.56 3b4p s TYR 120 Ca 0.03 0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.69 3b4p s TYR 120 Cb -0.15 -2.02 -0.01 0.00 0.35 0.00 0.00 41.96 40.14 3b4p s TYR 120 CO -0.08 0.18 0.01 -0.98 -1.34 0.00 0.00 175.55 173.35 3b4p s ARG 121 N 0.16 0.20 0.29 4.97 1.70 -1.26 -1.29 118.95 123.71 3b4p s ARG 121 Ca 0.03 -0.30 -0.14 0.00 -0.47 0.00 0.00 55.73 54.86 3b4p s ARG 121 Cb -0.13 0.08 0.01 0.00 -0.57 0.00 0.00 34.95 34.34 3b4p s ARG 121 CO 0.01 -0.04 0.58 1.21 -1.08 0.00 0.00 175.30 175.98 3b4p s ASN 122 N -0.79 0.01 -0.20 -2.89 3.04 -0.51 -4.82 114.94 108.78 3b4p s ASN 122 Ca -0.09 -0.96 -0.06 0.00 0.04 0.00 0.00 52.86 51.80 3b4p s ASN 122 Cb -0.05 0.67 -0.03 0.00 -1.54 0.00 0.00 41.25 40.29 3b4p s ASN 122 CO -0.00 -1.28 0.01 -2.28 -3.04 0.00 0.00 177.10 170.51 3b4p s HIS 123 N -3.64 3.07 0.04 0.43 5.65 -1.26 -1.98 115.29 117.60 3b4p s HIS 123 Ca 0.20 -0.38 0.08 0.00 0.25 0.00 0.00 55.06 55.21 3b4p s HIS 123 Cb -0.02 -2.10 -0.03 0.00 -1.18 0.00 0.00 32.58 29.25 3b4p s HIS 123 CO 0.10 -0.19 -0.22 -0.06 -0.65 0.00 0.00 174.74 173.72 3b4p s PHE 124 N 0.96 1.93 -0.12 3.88 0.40 -0.07 -4.22 117.98 120.75 3b4p s PHE 124 Ca 0.02 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 3b4p s PHE 124 Cb -0.14 -1.16 -0.00 0.00 0.51 0.00 0.00 43.02 42.23 3b4p s PHE 124 CO 0.02 0.09 -0.20 -0.51 0.70 0.00 0.00 175.22 175.32 3b4p s LEU 125 N -1.15 2.27 -0.06 -0.37 1.43 -0.18 -1.52 118.68 119.11 3b4p s LEU 125 Ca 0.08 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3b4p s LEU 125 Cb -0.09 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 3b4p s LEU 125 CO 0.02 0.14 -0.15 -1.00 0.23 0.00 0.00 176.35 175.59 3b4p s HIS 126 N 0.45 2.69 -0.15 0.29 3.76 -0.13 -0.38 115.29 121.82 3b4p s HIS 126 Ca -0.14 -0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 54.46 3b4p s HIS 126 Cb -0.17 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.84 3b4p s HIS 126 CO 0.06 0.10 -0.02 0.45 -0.85 0.00 0.00 174.74 174.48 3b4p s SER 127 N -0.53 4.96 -0.15 1.40 0.15 -0.12 -0.72 113.70 118.69 3b4p s SER 127 Ca 0.07 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.67 3b4p s SER 127 Cb -0.12 -1.74 0.03 0.00 -1.71 0.00 0.00 66.02 62.48 3b4p s SER 127 CO 0.01 0.21 -0.12 -0.36 1.20 0.00 0.00 173.24 174.18 3b4p s PHE 128 N 0.14 2.06 -0.09 3.44 0.08 -0.32 -0.94 117.98 122.35 3b4p s PHE 128 Ca -0.00 -1.19 0.03 0.00 0.12 0.00 0.00 56.93 55.89 3b4p s PHE 128 Cb -0.13 -1.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 3b4p s PHE 128 CO 0.02 -0.65 -0.20 1.03 -0.10 0.00 0.00 175.22 175.33 3b4p s ARG 129 N 1.52 2.95 0.23 0.44 0.52 -0.47 -0.62 118.95 123.51 3b4p s ARG 129 Ca 0.04 -0.80 0.07 0.00 -0.52 0.00 0.00 55.73 54.52 3b4p s ARG 129 Cb -0.13 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 3b4p s ARG 129 CO -0.10 0.31 0.13 -0.06 0.02 0.00 0.00 175.30 175.60 3b4p s PHE 130 N 0.06 3.02 -0.14 -0.53 0.08 0.10 0.06 117.98 120.63 3b4p s PHE 130 Ca -0.08 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 56.80 3b4p s PHE 130 Cb -0.15 -1.38 0.07 0.00 -0.57 0.00 0.00 43.02 40.98 3b4p s PHE 130 CO 0.05 0.54 0.31 -2.00 -0.10 0.00 0.00 175.22 174.02 3b4p s GLU 131 N -3.56 0.22 -1.47 0.44 2.12 -0.09 -4.74 118.70 111.63 3b4p s GLU 131 Ca 0.32 0.77 -0.11 0.00 0.36 0.00 0.00 54.97 56.31 3b4p s GLU 131 Cb -0.08 0.02 0.05 0.00 0.26 0.00 0.00 34.13 34.38 3b4p s GLU 131 CO 0.23 -0.24 0.92 0.09 -0.54 0.00 0.00 175.26 175.72 3b4p n ASN 132 N 5.02 -5.35 0.00 -1.70 3.02 -1.26 -1.64 115.26 113.35 3b4p n ASN 132 Ca -0.12 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 3b4p n ASN 132 Cb 0.51 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 3b4p n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b4p n GLY 133 N -1.69 0.61 3.42 7.41 0.00 -1.26 -5.00 105.19 108.69 3b4p n GLY 133 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3b4p n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b4p s LEU 134 N 0.00 2.50 -0.22 0.99 1.43 -0.65 -4.92 118.68 117.81 3b4p s LEU 134 Ca 0.00 -1.16 -0.29 0.00 -1.03 0.00 0.00 54.13 51.65 3b4p s LEU 134 Cb 0.00 -0.67 0.01 0.00 0.03 0.00 0.00 46.19 45.56 3b4p s LEU 134 CO 0.00 -0.30 1.03 -0.63 0.23 0.00 0.00 176.35 176.68 3b4p s ILE 135 N -2.98 4.69 -0.12 -0.59 1.01 -0.12 -0.91 121.20 122.18 3b4p s ILE 135 Ca 0.29 2.02 0.13 0.00 0.00 0.00 0.00 60.65 63.09 3b4p s ILE 135 Cb 0.03 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 37.96 3b4p s ILE 135 CO 0.11 -0.17 0.36 1.17 0.00 0.00 0.00 174.94 176.42 3b4p n LYS 136 N 6.23 0.66 -3.66 2.79 3.00 0.11 -0.90 118.16 126.40 3b4p n LYS 136 Ca 0.12 0.16 -0.07 0.00 -0.00 0.00 0.00 58.31 58.51 3b4p n LYS 136 Cb 0.46 -1.66 -0.09 0.00 0.00 0.00 0.00 35.03 33.74 3b4p n LYS 136 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3b4p s GLU 137 N -2.55 0.38 -0.05 1.64 2.12 -0.67 -1.56 118.70 118.01 3b4p s GLU 137 Ca -0.09 1.08 0.06 0.00 0.36 0.00 0.00 54.97 56.38 3b4p s GLU 137 Cb 0.07 0.38 -0.02 0.00 0.26 0.00 0.00 34.13 34.82 3b4p s GLU 137 CO 0.81 -0.23 -0.22 -1.14 -0.54 0.00 0.00 175.26 173.94 3b4p s GLN 138 N 2.53 2.48 -0.04 4.30 -0.44 -0.07 -1.37 119.66 127.05 3b4p s GLN 138 Ca -0.03 -0.85 0.01 0.00 -2.50 0.00 0.00 55.36 51.99 3b4p s GLN 138 Cb -0.12 -2.22 0.02 0.00 -1.64 0.00 0.00 33.01 29.06 3b4p s GLN 138 CO -0.14 0.48 -0.03 1.03 0.50 0.00 0.00 175.29 177.13 3b4p s ARG 139 N -0.38 0.63 -0.16 1.67 0.52 -0.11 -2.84 118.95 118.28 3b4p s ARG 139 Ca 0.03 -0.05 -0.07 0.00 -0.52 0.00 0.00 55.73 55.12 3b4p s ARG 139 Cb -0.12 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.62 3b4p s ARG 139 CO 0.02 -0.08 0.09 -2.00 0.02 0.00 0.00 175.30 173.35 3b4p s GLU 140 N 0.87 3.74 -0.10 3.54 2.12 -0.68 -0.94 118.70 127.26 3b4p s GLU 140 Ca -0.11 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 54.99 3b4p s GLU 140 Cb -0.14 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.06 3b4p s GLU 140 CO -0.00 0.49 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.97 3b4p s PHE 141 N -0.21 2.05 0.23 5.30 0.40 0.48 -0.89 117.98 125.34 3b4p s PHE 141 Ca 0.09 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 55.53 3b4p s PHE 141 Cb -0.12 -1.44 -0.00 0.00 0.51 0.00 0.00 43.02 41.97 3b4p s PHE 141 CO 0.01 -0.43 0.28 0.00 0.70 0.00 0.00 175.22 175.78 3b4p n MET 142 N 3.93 0.40 -3.22 0.44 0.00 -1.26 -1.01 117.12 116.40 3b4p n MET 142 Ca -0.20 -2.01 -0.44 0.00 0.00 0.00 0.00 57.70 55.06 3b4p n MET 142 Cb 0.52 1.82 -0.07 0.00 0.00 0.00 0.00 33.22 35.49 3b4p n MET 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3b4p s ASN 143 N -2.50 6.21 0.60 3.17 3.84 -1.26 -4.81 114.94 120.20 3b4p s ASN 143 Ca 0.22 -0.87 0.32 0.00 0.21 0.00 0.00 52.86 52.74 3b4p s ASN 143 Cb 0.00 -2.26 1.90 0.00 -0.55 0.00 0.00 41.25 40.34 3b4p s ASN 143 CO 0.16 -0.78 2.26 -0.65 -2.79 0.00 0.00 177.10 175.30 3b4p h PRO 144 N 8.89 0.00 -0.59 0.43 0.11 -1.96 -2.22 132.00 136.65 3b4p h PRO 144 Ca -0.27 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.95 3b4p h PRO 144 Cb 1.10 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3b4p h PRO 144 CO 0.91 0.01 0.40 0.00 -0.21 0.00 0.00 178.00 179.11 3b4p h GLU 146 N 0.33 0.00 -0.05 0.00 4.39 -1.75 -1.98 114.58 115.52 3b4p h GLU 146 Ca 0.28 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.73 3b4p h GLU 146 Cb 0.65 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3b4p h GLU 146 CO -0.07 0.48 -0.94 0.37 -1.16 0.00 0.00 179.01 177.69 3b4p h GLN 147 N 0.00 0.69 -0.30 2.33 4.15 -1.45 -2.41 115.11 118.12 3b4p h GLN 147 Ca -0.00 -0.67 0.07 0.00 0.77 0.00 0.00 58.65 58.81 3b4p h GLN 147 Cb 0.98 0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.77 3b4p h GLN 147 CO 0.06 1.27 -0.23 0.74 -1.93 0.00 0.00 178.83 178.74 3b4p h PHE 148 N 0.42 -0.59 -0.97 3.99 0.04 -1.01 -2.16 116.94 116.65 3b4p h PHE 148 Ca -0.10 0.04 0.09 0.00 2.80 0.00 0.00 57.97 60.80 3b4p h PHE 148 Cb 1.58 0.31 -0.07 0.00 2.20 0.00 0.00 35.95 39.96 3b4p h PHE 148 CO 0.09 -0.30 0.62 0.00 -0.60 0.00 0.00 178.31 178.11 3b4p h ARG 149 N -0.20 1.03 0.00 1.51 3.08 -1.27 -0.84 114.38 117.70 3b4p h ARG 149 Ca 0.16 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3b4p h ARG 149 Cb 0.45 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3b4p h ARG 149 CO -0.42 0.68 -0.09 0.66 -1.07 0.00 0.00 179.97 179.73 3b4p h SER 150 N 1.06 0.00 -0.21 7.04 4.64 -0.88 -2.46 113.55 122.74 3b4p h SER 150 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3b4p h SER 150 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3b4p h SER 150 CO -0.21 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.02 3b4p n LEU 151 N -3.80 3.20 0.00 5.97 4.77 -0.44 -4.15 117.00 122.55 3b4p n LEU 151 Ca -0.02 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 3b4p n LEU 151 Cb 0.19 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3b4p n LEU 151 CO 0.30 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3b4p n GLY 152 N 1.43 0.46 3.70 -0.72 0.00 -0.93 -4.43 105.19 104.70 3b4p n GLY 152 Ca 0.17 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 3b4p n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b4p s ILE 153 N -2.00 5.09 0.11 -0.61 1.01 -0.49 -5.01 121.20 119.31 3b4p s ILE 153 Ca 0.00 1.16 -0.30 0.00 0.00 0.00 0.00 60.65 61.51 3b4p s ILE 153 Cb 0.00 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 3b4p s ILE 153 CO 0.00 0.23 1.13 -0.70 0.00 0.00 0.00 174.94 175.61 3b4p s GLU 154 N 1.11 4.52 -0.24 2.79 2.56 -1.26 -4.04 118.70 124.14 3b4p s GLU 154 Ca 0.30 1.72 -0.11 0.00 0.00 0.00 0.00 54.97 56.88 3b4p s GLU 154 Cb -0.16 -3.32 -0.05 0.00 2.00 0.00 0.00 34.13 32.60 3b4p s GLU 154 CO 0.12 -0.08 0.19 0.08 -0.56 0.00 0.00 175.26 175.01 3b4p s VAL 155 N 0.43 5.34 0.74 3.70 1.01 -1.26 -5.06 120.40 125.30 3b4p s VAL 155 Ca 0.54 0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.61 3b4p s VAL 155 Cb -0.29 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.61 3b4p s VAL 155 CO 0.32 0.33 1.19 -2.16 0.00 0.00 0.00 175.10 174.78 3b4p s PRO 156 N 1.13 2.13 -0.26 2.72 0.04 -1.26 -5.01 135.00 134.49 3b4p s PRO 156 Ca 0.09 1.68 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 3b4p s PRO 156 Cb -0.14 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 3b4p s PRO 156 CO 0.05 -1.82 0.04 -1.21 0.04 0.00 0.00 177.00 174.09 3b4p s GLU 157 N -4.01 3.28 -0.03 4.56 2.02 -1.26 -5.09 118.70 118.17 3b4p s GLU 157 Ca 0.72 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 3b4p s GLU 157 Cb -0.27 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 3b4p s GLU 157 CO 0.46 -0.32 1.04 0.08 0.02 0.00 0.00 175.26 176.54 3b4p s VAL 158 N 1.51 4.66 -0.25 2.63 1.01 -1.26 -5.01 120.40 123.69 3b4p s VAL 158 Ca 0.04 1.92 -0.17 0.00 0.00 0.00 0.00 61.98 63.77 3b4p s VAL 158 Cb -0.16 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3b4p s VAL 158 CO 0.01 0.09 0.48 -0.13 0.00 0.00 0.00 175.10 175.55 3b4p s ARG 159 N 1.42 4.08 -0.71 2.72 0.52 -1.26 -5.03 118.95 120.69 3b4p s ARG 159 Ca 0.52 0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 55.97 3b4p s ARG 159 Cb -0.22 -3.63 0.18 0.00 0.52 0.00 0.00 34.95 31.80 3b4p s ARG 159 CO 0.25 -0.29 0.56 1.03 0.02 0.00 0.00 175.30 176.86 3b4p s ARG 160 N 2.12 2.87 0.36 3.54 0.52 -1.26 -5.02 118.95 122.07 3b4p s ARG 160 Ca 0.20 -2.70 0.10 0.00 -0.52 0.00 0.00 55.73 52.81 3b4p s ARG 160 Cb -0.16 -3.87 0.67 0.00 0.52 0.00 0.00 34.95 32.11 3b4p s ARG 160 CO 0.09 -1.21 1.83 -0.44 0.02 0.00 0.00 175.30 175.59 3b4p h ASP 161 N 6.89 0.16 -0.07 0.23 5.19 -2.05 -2.84 116.42 123.94 3b4p h ASP 161 Ca 0.04 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3b4p h ASP 161 Cb 0.93 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.40 3b4p h ASP 161 CO 0.75 0.45 0.00 0.61 -3.12 0.00 0.00 179.24 177.93 3b4p n GLY 162 N -0.55 4.54 3.68 2.75 0.00 -1.26 -5.03 105.19 109.31 3b4p n GLY 162 Ca -0.01 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 3b4p n GLY 162 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3b4p s LEU 163 N -2.72 4.38 0.59 0.99 2.96 -1.07 -4.94 118.68 118.86 3b4p s LEU 163 Ca 0.32 2.51 -0.18 0.00 -0.22 0.00 0.00 54.13 56.56 3b4p s LEU 163 Cb 0.27 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 3b4p s LEU 163 CO 0.04 -0.95 1.13 -2.84 -1.32 0.00 0.00 176.35 172.41 3b4p s PRO 164 N 3.44 3.12 0.00 0.98 0.02 -1.26 -5.13 135.00 136.17 3b4p s PRO 164 Ca 0.78 1.57 0.28 0.00 0.02 0.00 0.00 61.00 63.65 3b4p s PRO 164 Cb -0.40 -1.98 0.95 0.00 0.02 0.00 0.00 34.50 33.10 3b4p s PRO 164 CO 0.34 -1.03 1.69 -1.13 -0.33 0.00 0.00 177.00 176.54