#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4p s ASN 9 N 0.00 6.40 0.20 4.31 2.47 -1.26 -4.82 114.94 122.24 3b4p s ASN 9 Ca 0.00 -1.42 0.09 0.00 0.42 0.00 0.00 52.86 51.95 3b4p s ASN 9 Cb 0.00 -2.45 -0.04 0.00 -1.45 0.00 0.00 41.25 37.30 3b4p s ASN 9 CO 0.00 -1.35 -0.17 0.42 -3.72 0.00 0.00 177.10 172.28 3b4p s THR 10 N 3.87 1.91 0.42 -5.21 -4.23 -1.26 -5.04 115.64 106.11 3b4p s THR 10 Ca 0.32 -2.09 0.23 0.00 -1.18 0.00 0.00 61.69 58.96 3b4p s THR 10 Cb -0.08 -1.99 0.25 0.00 1.34 0.00 0.00 72.50 72.02 3b4p s THR 10 CO -0.01 -0.42 2.04 0.77 -0.54 0.00 0.00 174.62 176.46 3b4p h SER 11 N 2.87 0.00 -0.32 3.99 4.64 -1.98 -0.45 113.55 122.30 3b4p h SER 11 Ca -0.41 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.80 3b4p h SER 11 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3b4p h SER 11 CO 0.56 0.15 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.10 3b4p h GLU 12 N 0.00 0.73 -0.17 4.77 4.39 -1.97 0.35 114.58 122.68 3b4p h GLU 12 Ca -0.00 -0.36 -0.18 0.00 0.34 0.00 0.00 59.36 59.16 3b4p h GLU 12 Cb 0.35 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3b4p h GLU 12 CO 0.02 0.97 -0.63 -0.91 -1.16 0.00 0.00 179.01 177.30 3b4p h ASN 13 N 0.50 0.70 -0.55 1.42 2.35 -1.82 -2.19 115.58 115.98 3b4p h ASN 13 Ca 0.06 -0.41 0.03 0.00 -0.55 0.00 0.00 56.30 55.43 3b4p h ASN 13 Cb 0.80 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 3b4p h ASN 13 CO 0.06 1.15 0.33 0.03 -1.65 0.00 0.00 177.43 177.36 3b4p h ARG 14 N 0.45 0.64 -0.31 0.81 3.08 -1.02 -1.05 114.38 116.97 3b4p h ARG 14 Ca -0.01 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3b4p h ARG 14 Cb 1.21 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 3b4p h ARG 14 CO 0.12 0.42 0.09 0.00 -1.07 0.00 0.00 179.97 179.53 3b4p h ALA 15 N 1.24 0.35 0.04 0.04 0.00 -0.83 -0.39 119.26 119.71 3b4p h ALA 15 Ca 0.22 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3b4p h ALA 15 Cb 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3b4p h ALA 15 CO -0.10 -0.32 -0.15 1.96 0.00 0.00 0.00 179.25 180.64 3b4p h GLN 16 N 0.21 -0.26 -0.37 0.00 1.08 -1.06 0.11 115.11 114.81 3b4p h GLN 16 Ca 0.14 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.44 3b4p h GLN 16 Cb 0.14 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.55 3b4p h GLN 16 CO -0.17 -0.17 -0.15 0.28 -0.95 0.00 0.00 178.83 177.67 3b4p h VAL 17 N -0.27 0.52 -0.88 -0.54 2.07 -0.90 -0.19 116.25 116.06 3b4p h VAL 17 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 3b4p h VAL 17 Cb 0.31 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3b4p h VAL 17 CO -0.12 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.05 3b4p h ALA 18 N 1.24 1.14 -0.25 1.67 0.00 -0.73 0.53 119.26 122.86 3b4p h ALA 18 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3b4p h ALA 18 Cb 0.36 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3b4p h ALA 18 CO -0.42 0.46 0.14 0.00 0.00 0.00 0.00 179.25 179.43 3b4p h ALA 19 N 1.35 0.31 -0.56 0.00 0.00 -0.49 -1.62 119.26 118.24 3b4p h ALA 19 Ca 0.34 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3b4p h ALA 19 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3b4p h ALA 19 CO -0.10 -0.16 0.16 -0.09 0.00 0.00 0.00 179.25 179.06 3b4p h ARG 20 N 0.29 0.85 -0.21 0.00 2.43 -0.56 -0.39 114.38 116.80 3b4p h ARG 20 Ca 0.09 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 3b4p h ARG 20 Cb 0.05 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3b4p h ARG 20 CO -0.01 0.75 -0.33 0.37 -1.51 0.00 0.00 179.97 179.23 3b4p h GLN 21 N 0.83 0.60 -0.01 0.20 4.15 -0.74 0.96 115.11 121.09 3b4p h GLN 21 Ca 0.19 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.24 3b4p h GLN 21 Cb 0.26 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 3b4p h GLN 21 CO -0.01 0.97 -0.00 1.25 -1.93 0.00 0.00 178.83 179.11 3b4p h HIS 22 N 0.28 0.02 -0.34 3.99 2.76 -1.07 -2.68 115.15 118.11 3b4p h HIS 22 Ca 0.02 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.26 3b4p h HIS 22 Cb 0.92 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.80 3b4p h HIS 22 CO 0.09 0.34 -0.12 -0.91 -1.30 0.00 0.00 177.93 176.02 3b4p h ASN 23 N -0.30 -0.44 -0.86 3.26 2.35 -1.05 -2.11 115.58 116.44 3b4p h ASN 23 Ca 0.00 0.12 0.20 0.00 -0.55 0.00 0.00 56.30 56.07 3b4p h ASN 23 Cb 0.33 0.26 -0.12 0.00 0.05 0.00 0.00 38.32 38.84 3b4p h ASN 23 CO 0.00 -0.16 0.36 -0.09 -1.65 0.00 0.00 177.43 175.89 3b4p h ARG 24 N -0.06 0.39 -0.01 0.81 2.43 -0.75 -0.21 114.38 116.99 3b4p h ARG 24 Ca 0.17 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3b4p h ARG 24 Cb 0.31 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3b4p h ARG 24 CO -0.38 0.26 -0.42 0.87 -1.51 0.00 0.00 179.97 178.78 3b4p h LYS 25 N 0.40 0.03 -0.17 0.20 1.79 -1.04 -1.12 116.57 116.65 3b4p h LYS 25 Ca 0.52 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.87 3b4p h LYS 25 Cb 0.94 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3b4p h LYS 25 CO -0.50 0.45 -0.32 0.82 -1.08 0.00 0.00 179.45 178.82 3b4p h ILE 26 N 0.02 1.35 -0.43 1.86 1.08 -0.89 -0.28 117.51 120.22 3b4p h ILE 26 Ca -0.00 -1.55 0.07 0.00 -0.39 0.00 0.00 64.86 62.98 3b4p h ILE 26 Cb 0.76 1.92 -0.06 0.00 -3.07 0.00 0.00 36.82 36.37 3b4p h ILE 26 CO 0.06 0.47 0.07 0.58 -0.69 0.00 0.00 178.15 178.63 3b4p h VAL 27 N 0.16 0.75 -0.50 1.67 2.07 -0.54 -0.39 116.25 119.47 3b4p h VAL 27 Ca 0.01 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3b4p h VAL 27 Cb 0.91 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 3b4p h VAL 27 CO 0.07 0.04 0.26 -0.33 0.02 0.00 0.00 177.57 177.63 3b4p h GLU 28 N 0.19 0.50 -0.50 1.57 5.08 -1.15 -0.52 114.58 119.75 3b4p h GLU 28 Ca 0.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3b4p h GLU 28 Cb 0.27 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3b4p h GLU 28 CO -0.29 0.33 0.27 1.96 -1.00 0.00 0.00 179.01 180.28 3b4p h GLN 29 N 0.51 0.71 -0.36 2.33 4.20 -0.62 -2.04 115.11 119.84 3b4p h GLN 29 Ca 0.22 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.90 3b4p h GLN 29 Cb 0.11 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3b4p h GLN 29 CO -0.15 0.56 0.04 -0.92 -0.67 0.00 0.00 178.83 177.70 3b4p h TYR 30 N 0.67 0.06 0.00 2.96 3.20 -0.44 -2.01 116.97 121.40 3b4p h TYR 30 Ca 0.18 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3b4p h TYR 30 Cb 0.07 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3b4p h TYR 30 CO -0.01 -0.02 0.00 0.52 -1.64 0.00 0.00 178.16 177.00 3b4p h MET 31 N 0.15 0.00 -0.02 1.82 2.86 -0.78 -2.69 114.93 116.27 3b4p h MET 31 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3b4p h MET 31 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3b4p h MET 31 CO -0.26 0.00 -0.26 0.72 1.06 0.00 0.00 176.91 178.17 3b4p n HIS 32 N -2.42 0.00 -2.44 -0.22 8.25 -0.80 -4.59 115.22 113.00 3b4p n HIS 32 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.08 3b4p n HIS 32 Cb 0.40 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 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 -2.28 4.28 0.14 1.59 2.01 -0.79 -5.01 115.64 115.58 3b4p s THR 33 Ca 0.24 1.57 0.02 0.00 0.31 0.00 0.00 61.69 63.83 3b4p s THR 33 Cb 0.19 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3b4p s THR 33 CO 0.46 -0.09 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.11 3b4p s ARG 34 N 3.09 1.00 5.21 4.92 0.52 -1.26 -4.78 118.95 127.65 3b4p s ARG 34 Ca 0.55 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.31 3b4p s ARG 34 Cb -0.22 -0.33 0.00 0.00 0.52 0.00 0.00 34.95 34.92 3b4p s ARG 34 CO 0.17 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.85 3b4p n GLY 35 N -0.16 2.87 0.28 -3.53 0.00 -1.26 -2.68 105.19 100.71 3b4p n GLY 35 Ca -0.09 -0.26 0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.00 1.61 4.39 -1.99 -0.67 114.58 117.93 3b4p h GLU 36 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3b4p h GLU 36 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3b4p h GLU 36 CO 0.00 0.03 -0.07 0.00 -1.16 0.00 0.00 179.01 177.81 3b4p h ALA 37 N 1.97 1.62 -0.15 3.43 0.00 -1.91 -1.14 119.26 123.08 3b4p h ALA 37 Ca -0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3b4p h ALA 37 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3b4p h ALA 37 CO 0.00 0.09 0.19 0.00 0.00 0.00 0.00 179.25 179.54 3b4p h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.22 -1.93 114.38 114.32 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 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3b4p h ARG 38 CO 0.01 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.84 3b4p h LEU 39 N 0.00 0.00 -2.24 3.04 3.38 -1.40 -2.99 115.31 115.10 3b4p h LEU 39 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3b4p h LEU 39 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3b4p h LEU 39 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3b4p n LYS 40 N -2.59 1.82 0.25 1.13 5.02 -0.73 -4.68 118.16 118.38 3b4p n LYS 40 Ca 0.02 -1.62 0.12 0.00 -2.02 0.00 0.00 58.31 54.80 3b4p n LYS 40 Cb 0.29 -1.23 0.68 0.00 -0.02 0.00 0.00 35.03 34.75 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 1.95 0.00 -0.47 1.97 2.43 -1.47 -1.74 114.38 117.04 3b4p h ARG 41 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 3b4p h ARG 41 Cb 0.59 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 3b4p h ARG 41 CO 0.00 0.14 0.38 1.12 -1.51 0.00 0.00 179.97 180.10 3b4p h HIS 42 N 0.00 0.00 0.00 2.20 2.07 -1.83 -1.06 115.15 116.53 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 0.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.36 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 0.27 -0.04 6.12 4.77 -0.65 -1.65 117.00 121.68 3b4p n LEU 43 Ca 0.08 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.81 3b4p n LEU 43 Cb 0.58 -0.61 0.63 0.00 -2.33 0.00 0.00 43.42 41.69 3b4p n LEU 43 CO 0.33 -0.60 0.90 0.18 -1.33 0.00 0.00 177.39 176.87 3b4p n LEU 44 N -1.84 0.20 -4.92 2.23 4.77 -0.40 -4.88 117.00 112.17 3b4p n LEU 44 Ca 0.00 0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 55.92 3b4p n LEU 44 Cb 0.07 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3b4p n LEU 44 CO 0.08 0.04 0.08 -0.36 -1.33 0.00 0.00 177.39 175.90 3b4p s PHE 45 N -2.68 3.48 0.87 -1.77 0.08 -0.66 -0.71 117.98 116.60 3b4p s PHE 45 Ca 0.24 0.46 -0.10 0.00 0.12 0.00 0.00 56.93 57.64 3b4p s PHE 45 Cb 0.20 -1.95 0.12 0.00 -0.57 0.00 0.00 43.02 40.82 3b4p s PHE 45 CO 0.50 0.33 1.11 0.95 -0.10 0.00 0.00 175.22 178.01 3b4p s THR 46 N -1.90 2.59 0.29 0.64 -4.23 -0.20 -4.70 115.64 108.13 3b4p s THR 46 Ca 0.40 0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 61.11 3b4p s THR 46 Cb -0.11 -2.43 0.28 0.00 1.34 0.00 0.00 72.50 71.58 3b4p s THR 46 CO 0.29 -0.25 1.88 -0.08 -0.54 0.00 0.00 174.62 175.92 3b4p h GLU 47 N -1.61 1.04 -0.67 3.99 4.57 -1.95 -0.98 114.58 118.97 3b4p h GLU 47 Ca -0.45 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 3b4p h GLU 47 Cb 1.26 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 3b4p h GLU 47 CO 0.47 0.69 0.07 -0.40 -1.18 0.00 0.00 179.01 178.65 3b4p n ASP 48 N -4.52 5.08 -4.75 1.04 3.85 -1.26 -1.39 116.55 114.60 3b4p n ASP 48 Ca 0.16 -2.91 -0.36 0.00 -0.71 0.00 0.00 54.79 50.97 3b4p n ASP 48 Cb 0.24 -0.68 0.03 0.00 -1.35 0.00 0.00 41.12 39.35 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 -0.74 2.77 -0.00 6.12 0.00 -0.37 -4.27 107.32 110.83 3b4p s GLY 49 Ca 0.49 1.05 0.06 0.00 0.00 0.00 0.00 44.72 46.32 3b4p s GLY 49 CO 0.14 1.46 -0.17 0.14 0.00 0.00 0.00 173.10 174.67 3b4p s VAL 50 N -1.54 2.82 0.18 1.40 1.01 -0.26 0.08 120.40 124.09 3b4p s VAL 50 Ca 0.75 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 3b4p s VAL 50 Cb -0.32 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3b4p s VAL 50 CO 0.35 0.46 0.10 -0.83 0.00 0.00 0.00 175.10 175.19 3b4p s GLY 51 N -1.08 1.32 0.00 4.51 0.00 -0.67 -0.33 107.32 111.07 3b4p s GLY 51 Ca 0.13 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.21 3b4p s GLY 51 CO 0.03 -1.41 0.00 0.61 0.00 0.00 0.00 173.10 172.33 3b4p n GLY 52 N -0.23 0.67 3.49 0.20 0.00 -1.08 0.07 105.19 108.31 3b4p n GLY 52 Ca -0.01 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 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 3.54 0.00 0.99 2.96 -0.68 -0.91 118.68 124.59 3b4p s LEU 53 Ca 0.00 -0.15 0.22 0.00 -0.22 0.00 0.00 54.13 53.98 3b4p s LEU 53 Cb 0.00 -1.94 -0.15 0.00 0.50 0.00 0.00 46.19 44.59 3b4p s LEU 53 CO 0.00 -0.00 0.87 0.79 -1.32 0.00 0.00 176.35 176.68 3b4p n TRP 54 N 4.72 0.06 -3.85 5.38 8.01 0.62 -0.34 117.44 132.03 3b4p n TRP 54 Ca -0.16 0.02 -0.34 0.00 -1.31 0.00 0.00 57.50 55.70 3b4p n TRP 54 Cb 0.52 -0.21 -0.13 0.00 -2.01 0.00 0.00 31.31 29.48 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 -3.15 2.99 0.24 -0.99 -4.23 -1.24 -4.54 115.64 104.72 3b4p s THR 55 Ca 0.04 -2.25 0.06 0.00 -1.18 0.00 0.00 61.69 58.36 3b4p s THR 55 Cb 0.15 -3.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 3b4p s THR 55 CO 0.85 -0.68 -0.07 0.42 -0.54 0.00 0.00 174.62 174.60 3b4p s THR 56 N 0.94 1.54 0.46 3.99 -4.23 -1.26 -4.69 115.64 112.38 3b4p s THR 56 Ca 0.10 -2.13 0.19 0.00 -1.18 0.00 0.00 61.69 58.67 3b4p s THR 56 Cb -0.22 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.57 3b4p s THR 56 CO -0.05 -0.41 2.04 -2.24 -0.54 0.00 0.00 174.62 173.42 3b4p h ASP 57 N 2.42 0.00 1.59 3.99 3.04 -1.96 -2.47 116.42 123.03 3b4p h ASP 57 Ca -0.39 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.39 3b4p h ASP 57 Cb 1.23 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.51 3b4p h ASP 57 CO 0.65 0.14 -0.07 0.77 -2.04 0.00 0.00 179.24 178.69 3b4p h SER 58 N 0.00 0.00 0.00 4.15 4.64 -2.01 -3.47 113.55 116.86 3b4p h SER 58 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b4p h SER 58 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3b4p h SER 58 CO 0.02 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 3b4p n GLY 59 N 0.74 1.73 3.75 -0.77 0.00 -0.93 -5.05 105.19 104.67 3b4p n GLY 59 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.36 2.91 0.72 1.61 -1.52 -1.26 -4.88 119.66 116.89 3b4p s GLN 60 Ca 0.00 -0.59 -0.15 0.00 -1.95 0.00 0.00 55.36 52.67 3b4p s GLN 60 Cb 0.00 -2.76 0.03 0.00 -0.22 0.00 0.00 33.01 30.07 3b4p s GLN 60 CO 0.00 0.61 1.17 -2.14 -0.25 0.00 0.00 175.29 174.68 3b4p s PRO 61 N -1.89 2.29 -0.54 2.91 0.02 -1.26 -4.54 135.00 131.99 3b4p s PRO 61 Ca 0.24 1.61 -0.18 0.00 0.02 0.00 0.00 61.00 62.69 3b4p s PRO 61 Cb -0.12 -1.87 0.09 0.00 0.02 0.00 0.00 34.50 32.63 3b4p s PRO 61 CO 0.15 -1.69 0.59 0.42 -0.33 0.00 0.00 177.00 176.14 3b4p s ILE 62 N -2.17 4.98 -0.21 2.83 1.01 0.53 -5.00 121.20 123.18 3b4p s ILE 62 Ca 0.71 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 3b4p s ILE 62 Cb -0.26 -4.35 -0.00 0.00 0.01 0.00 0.00 42.46 37.87 3b4p s ILE 62 CO 0.45 -0.89 -0.08 0.00 0.00 0.00 0.00 174.94 174.42 3b4p s ALA 63 N 2.27 2.71 -0.24 9.38 0.00 -1.26 -1.68 121.76 132.94 3b4p s ALA 63 Ca 0.09 -1.19 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 3b4p s ALA 63 Cb -0.24 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 3b4p s ALA 63 CO 0.07 -0.43 0.12 0.42 0.00 0.00 0.00 175.76 175.94 3b4p s ILE 64 N 1.43 4.90 -0.19 0.00 1.01 0.11 -4.96 121.20 123.49 3b4p s ILE 64 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 3b4p s ILE 64 Cb -0.14 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3b4p s ILE 64 CO -0.05 0.34 -0.11 -0.60 0.00 0.00 0.00 174.94 174.51 3b4p s ARG 65 N 1.29 3.22 0.00 2.79 3.52 -1.26 -1.67 118.95 126.84 3b4p s ARG 65 Ca 0.06 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 3b4p s ARG 65 Cb -0.14 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 3b4p s ARG 65 CO 0.05 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 3b4p n GLY 66 N 4.59 2.68 0.36 8.12 0.00 0.11 -4.46 105.19 116.59 3b4p n GLY 66 Ca -0.19 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 1.22 -0.26 1.61 2.43 -1.38 0.12 114.38 118.13 3b4p h ARG 67 Ca 0.00 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 58.92 3b4p h ARG 67 Cb 0.00 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3b4p h ARG 67 CO 0.00 0.86 -0.39 0.93 -1.51 0.00 0.00 179.97 179.86 3b4p h GLU 68 N 1.24 0.60 -0.06 0.20 4.39 -1.89 -2.29 114.58 116.77 3b4p h GLU 68 Ca 0.32 -0.30 -0.14 0.00 0.34 0.00 0.00 59.36 59.58 3b4p h GLU 68 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3b4p h GLU 68 CO -0.06 0.88 -0.59 0.87 -1.16 0.00 0.00 179.01 178.96 3b4p h LYS 69 N 0.49 0.19 -0.47 2.33 1.79 -1.63 -1.89 116.57 117.39 3b4p h LYS 69 Ca 0.05 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 3b4p h LYS 69 Cb 0.89 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.54 3b4p h LYS 69 CO 0.08 0.73 0.13 -0.07 -1.08 0.00 0.00 179.45 179.24 3b4p h LEU 70 N 0.15 0.65 -0.74 2.94 3.38 -0.56 -0.29 115.31 120.84 3b4p h LEU 70 Ca -0.00 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 3b4p h LEU 70 Cb 1.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3b4p h LEU 70 CO 0.09 0.63 -0.33 1.23 0.09 0.00 0.00 178.44 180.14 3b4p h GLY 71 N 0.88 0.63 1.29 0.83 0.00 -0.91 -1.45 103.07 104.33 3b4p h GLY 71 Ca 0.16 -0.58 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 3b4p h GLY 71 CO -0.01 0.53 -0.39 0.83 0.00 0.00 0.00 176.54 177.50 3b4p h GLU 72 N 0.49 0.78 -0.31 4.80 5.08 -0.96 -2.68 114.58 121.79 3b4p h GLU 72 Ca 0.06 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3b4p h GLU 72 Cb 0.82 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 3b4p h GLU 72 CO 0.07 1.03 0.13 1.25 -1.00 0.00 0.00 179.01 180.49 3b4p h HIS 73 N 0.64 0.42 -0.21 4.33 2.76 -0.74 -2.56 115.15 119.78 3b4p h HIS 73 Ca 0.05 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 3b4p h HIS 73 Cb 0.94 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 3b4p h HIS 73 CO 0.05 0.33 -0.09 0.00 -1.30 0.00 0.00 177.93 176.92 3b4p h ALA 74 N 1.72 1.46 -0.08 5.26 0.00 -0.91 -0.03 119.26 126.68 3b4p h ALA 74 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3b4p h ALA 74 Cb 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3b4p h ALA 74 CO -0.01 0.38 0.04 0.28 0.00 0.00 0.00 179.25 179.94 3b4p h VAL 75 N 0.32 1.12 -0.48 0.00 2.07 -1.45 -0.22 116.25 117.61 3b4p h VAL 75 Ca 0.07 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3b4p h VAL 75 Cb 0.36 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3b4p h VAL 75 CO 0.02 0.10 0.29 -0.25 0.02 0.00 0.00 177.57 177.74 3b4p h TRP 76 N 0.00 0.63 -0.57 1.57 7.01 -1.39 -2.81 115.95 120.40 3b4p h TRP 76 Ca 0.03 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 3b4p h TRP 76 Cb 0.13 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 3b4p h TRP 76 CO -0.03 0.44 0.30 1.03 -2.79 0.00 0.00 178.44 177.39 3b4p h SER 77 N 0.64 0.72 0.03 2.65 0.87 -0.80 -0.94 113.55 116.72 3b4p h SER 77 Ca 0.17 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 3b4p h SER 77 Cb -0.01 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 3b4p h SER 77 CO -0.03 0.62 -0.14 0.25 -0.53 0.00 0.00 176.83 177.00 3b4p h LEU 78 N 0.77 0.23 -0.13 2.23 5.85 -1.02 0.25 115.31 123.49 3b4p h LEU 78 Ca 0.20 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.64 3b4p h LEU 78 Cb 0.07 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3b4p h LEU 78 CO -0.03 0.39 -0.98 0.06 -0.34 0.00 0.00 178.44 177.54 3b4p h GLN 79 N 0.23 0.41 0.00 1.25 3.07 -1.15 -3.17 115.11 115.75 3b4p h GLN 79 Ca 0.05 -0.46 -0.13 0.00 0.09 0.00 0.00 58.65 58.19 3b4p h GLN 79 Cb 0.39 0.14 -0.02 0.00 0.08 0.00 0.00 27.48 28.07 3b4p h GLN 79 CO 0.02 1.13 -0.61 0.00 0.09 0.00 0.00 178.83 179.47 3b4p n PHE 81 N -3.27 1.33 0.18 0.00 3.01 0.87 -0.50 117.46 119.07 3b4p n PHE 81 Ca 0.01 -3.81 0.03 0.00 1.01 0.00 0.00 57.45 54.70 3b4p n PHE 81 Cb 0.77 -0.38 0.34 0.00 -0.01 0.00 0.00 39.48 40.20 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 4.37 0.00 0.00 -1.08 0.13 -1.72 -3.21 132.00 130.48 3b4p h PRO 82 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 3b4p h PRO 82 Cb 0.79 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 3b4p h PRO 82 CO 0.61 0.41 -0.45 -0.40 -0.23 0.00 0.00 178.00 177.94 3b4p n ASP 83 N -3.81 1.70 -4.77 1.44 5.75 -1.26 -4.82 116.55 110.77 3b4p n ASP 83 Ca -0.01 -3.43 -0.40 0.00 -0.01 0.00 0.00 54.79 50.94 3b4p n ASP 83 Cb 0.47 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 3b4p n ASP 83 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 3b4p s TRP 84 N -2.65 2.79 -0.03 2.11 -0.11 -1.21 -4.82 118.94 115.02 3b4p s TRP 84 Ca 0.35 1.36 0.02 0.00 1.22 0.00 0.00 56.10 59.04 3b4p s TRP 84 Cb 0.34 -3.75 0.01 0.00 -1.50 0.00 0.00 33.47 28.56 3b4p s TRP 84 CO -0.06 -2.27 -0.07 0.14 -4.62 0.00 0.00 176.95 170.08 3b4p s VAL 85 N -1.21 0.65 0.14 5.86 -7.23 -0.87 -4.80 120.40 112.93 3b4p s VAL 85 Ca 0.55 -0.25 -0.22 0.00 -1.81 0.00 0.00 61.98 60.24 3b4p s VAL 85 Cb -0.40 -0.61 -0.08 0.00 0.56 0.00 0.00 36.38 35.85 3b4p s VAL 85 CO 0.53 0.22 0.70 0.26 -0.31 0.00 0.00 175.10 176.50 3b4p s TRP 86 N 0.45 3.84 0.16 2.82 0.52 -1.26 -1.95 118.94 123.52 3b4p s TRP 86 Ca -0.06 1.48 -0.00 0.00 0.02 0.00 0.00 56.10 57.53 3b4p s TRP 86 Cb -0.10 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 3b4p s TRP 86 CO 0.00 0.52 0.06 0.95 0.02 0.00 0.00 176.95 178.50 3b4p s THR 87 N -1.19 0.21 -1.46 2.01 -4.23 -0.21 -4.88 115.64 105.89 3b4p s THR 87 Ca 0.34 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.84 3b4p s THR 87 Cb -0.21 -2.19 0.05 0.00 1.34 0.00 0.00 72.50 71.49 3b4p s THR 87 CO 0.23 -0.34 0.73 0.47 -0.54 0.00 0.00 174.62 175.17 3b4p n ASP 88 N -0.18 -2.41 -4.69 3.99 8.00 -1.26 -1.16 116.55 118.84 3b4p n ASP 88 Ca -0.04 -0.88 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 3b4p n ASP 88 Cb 0.64 -3.57 -0.03 0.00 -0.02 0.00 0.00 41.12 38.14 3b4p n ASP 88 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3b4p s ILE 89 N -3.57 4.50 -0.14 0.53 1.01 -1.26 -4.20 121.20 118.07 3b4p s ILE 89 Ca 0.32 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.77 3b4p s ILE 89 Cb -0.16 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.17 3b4p s ILE 89 CO 0.85 0.03 -0.14 -1.58 0.00 0.00 0.00 174.94 174.11 3b4p s GLN 90 N 1.86 2.20 -0.14 2.79 0.74 -0.10 -5.01 119.66 122.00 3b4p s GLN 90 Ca 0.53 -0.52 -0.12 0.00 0.05 0.00 0.00 55.36 55.30 3b4p s GLN 90 Cb -0.22 -2.02 -0.05 0.00 1.10 0.00 0.00 33.01 31.82 3b4p s GLN 90 CO 0.22 -0.22 0.23 0.42 -0.55 0.00 0.00 175.29 175.39 3b4p s ILE 91 N 1.45 5.34 -0.25 -2.34 1.01 -1.26 -1.20 121.20 123.95 3b4p s ILE 91 Ca 0.04 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.12 3b4p s ILE 91 Cb -0.13 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.84 3b4p s ILE 91 CO -0.09 0.47 -0.10 -0.36 0.00 0.00 0.00 174.94 174.86 3b4p s PHE 92 N -0.05 3.18 0.72 3.97 0.40 0.79 -5.02 117.98 121.96 3b4p s PHE 92 Ca 0.15 -2.08 -0.11 0.00 -0.60 0.00 0.00 56.93 54.29 3b4p s PHE 92 Cb -0.13 -1.97 0.02 0.00 0.51 0.00 0.00 43.02 41.46 3b4p s PHE 92 CO 0.03 -0.84 1.07 -1.21 0.70 0.00 0.00 175.22 174.97 3b4p s GLU 93 N 1.17 2.73 0.41 0.44 2.02 -1.26 -1.58 118.70 122.63 3b4p s GLU 93 Ca -0.06 0.92 0.05 0.00 0.02 0.00 0.00 54.97 55.90 3b4p s GLU 93 Cb -0.19 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 3b4p s GLU 93 CO -0.05 -1.24 0.17 0.95 0.02 0.00 0.00 175.26 175.11 3b4p s THR 94 N -3.05 0.43 0.42 3.63 -4.23 -1.21 -4.87 115.64 106.75 3b4p s THR 94 Ca 0.59 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 59.49 3b4p s THR 94 Cb -0.14 -2.32 0.41 0.00 1.34 0.00 0.00 72.50 71.78 3b4p s THR 94 CO 0.55 0.00 2.20 0.06 -0.54 0.00 0.00 174.62 176.89 3b4p h GLN 95 N 1.79 0.00 -5.12 3.99 -0.00 -1.99 -3.39 115.11 110.40 3b4p h GLN 95 Ca -0.32 0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 57.67 3b4p h GLN 95 Cb 1.27 0.00 -0.16 0.00 -0.00 0.00 0.00 27.48 28.59 3b4p h GLN 95 CO 0.51 0.00 -0.12 0.34 -0.00 0.00 0.00 178.83 179.56 3b4p s ASP 96 N -5.13 6.26 0.12 0.06 -1.08 -1.26 -4.95 116.67 110.70 3b4p s ASP 96 Ca -0.03 -0.21 0.14 0.00 -0.52 0.00 0.00 52.55 51.92 3b4p s ASP 96 Cb 0.11 -2.25 0.63 0.00 -1.46 0.00 0.00 42.92 39.95 3b4p s ASP 96 CO 0.42 -0.48 1.42 -0.81 0.52 0.00 0.00 175.17 176.23 3b4p n PRO 97 N 5.67 0.07 -0.56 4.34 -0.04 -1.26 -1.24 135.00 141.97 3b4p n PRO 97 Ca -0.06 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 3b4p n PRO 97 Cb 0.49 -1.68 0.33 0.00 -0.04 0.00 0.00 33.50 32.60 3b4p n PRO 97 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3b4p n ASN 98 N -1.82 4.53 -3.68 3.54 3.02 -1.26 -4.25 115.26 115.34 3b4p n ASN 98 Ca 0.01 -2.47 -0.19 0.00 -0.03 0.00 0.00 54.58 51.89 3b4p n ASN 98 Cb 0.10 -0.54 -0.18 0.00 -0.61 0.00 0.00 39.78 38.55 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 -1.88 0.05 0.13 3.10 -0.11 -0.38 -0.61 118.94 119.25 3b4p s TRP 99 Ca 0.48 0.25 0.08 0.00 1.22 0.00 0.00 56.10 58.13 3b4p s TRP 99 Cb 0.31 -0.45 -0.04 0.00 -1.50 0.00 0.00 33.47 31.80 3b4p s TRP 99 CO 0.22 -0.18 -0.19 -0.06 -4.62 0.00 0.00 176.95 172.12 3b4p s PHE 100 N 2.04 1.77 0.11 5.86 0.40 0.20 -3.34 117.98 125.03 3b4p s PHE 100 Ca 0.03 -0.45 0.10 0.00 -0.60 0.00 0.00 56.93 56.01 3b4p s PHE 100 Cb -0.12 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 3b4p s PHE 100 CO -0.03 0.26 -0.25 -1.58 0.70 0.00 0.00 175.22 174.32 3b4p s TRP 101 N -1.66 2.19 -0.05 0.36 0.52 -0.61 -1.06 118.94 118.62 3b4p s TRP 101 Ca 0.11 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.86 3b4p s TRP 101 Cb -0.08 -1.20 0.01 0.00 -1.15 0.00 0.00 33.47 31.05 3b4p s TRP 101 CO 0.05 0.28 -0.11 0.08 0.02 0.00 0.00 176.95 177.27 3b4p s VAL 102 N -1.05 1.03 -0.14 4.03 1.01 0.10 -0.15 120.40 125.23 3b4p s VAL 102 Ca 0.12 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3b4p s VAL 102 Cb -0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3b4p s VAL 102 CO 0.05 0.32 -0.05 -0.70 0.00 0.00 0.00 175.10 174.72 3b4p s GLU 103 N 0.51 3.56 0.32 2.72 2.12 -0.34 -0.76 118.70 126.83 3b4p s GLU 103 Ca -0.10 -0.55 -0.17 0.00 0.36 0.00 0.00 54.97 54.51 3b4p s GLU 103 Cb -0.14 -2.84 0.03 0.00 0.26 0.00 0.00 34.13 31.44 3b4p s GLU 103 CO 0.02 0.27 0.71 0.00 -0.54 0.00 0.00 175.26 175.73 3b4p s ARG 105 N -3.21 2.37 0.07 0.00 1.81 -0.31 -1.03 118.95 118.66 3b4p s ARG 105 Ca 0.15 -1.66 -0.20 0.00 -1.72 0.00 0.00 55.73 52.30 3b4p s ARG 105 Cb -0.05 -2.17 0.04 0.00 -0.45 0.00 0.00 34.95 32.33 3b4p s ARG 105 CO 0.10 -0.09 0.47 0.20 -0.68 0.00 0.00 175.30 175.30 3b4p s GLY 106 N -3.97 -0.36 0.00 -3.53 0.00 -0.65 -1.05 107.32 97.77 3b4p s GLY 106 Ca 0.43 0.39 -0.18 0.00 0.00 0.00 0.00 44.72 45.35 3b4p s GLY 106 CO 0.24 0.10 0.40 1.85 0.00 0.00 0.00 173.10 175.70 3b4p s GLU 107 N -2.76 0.82 0.00 2.90 2.12 -0.82 -1.75 118.70 119.21 3b4p s GLU 107 Ca -0.04 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.09 3b4p s GLU 107 Cb -0.00 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.76 3b4p s GLU 107 CO -0.04 -0.26 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 3b4p n GLY 108 N 0.90 0.57 3.76 -1.50 0.00 -0.44 -2.06 105.19 106.42 3b4p n GLY 108 Ca -0.20 -1.13 -0.38 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 2.93 -0.14 4.61 0.00 -1.26 -0.61 121.76 125.29 3b4p s ALA 109 Ca 0.00 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.23 3b4p s ALA 109 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.61 3b4p s ALA 109 CO 0.00 -1.14 -0.21 -1.50 0.00 0.00 0.00 175.76 172.91 3b4p s ILE 110 N -1.35 2.01 -0.50 0.00 2.07 -0.30 -4.23 121.20 118.91 3b4p s ILE 110 Ca 0.67 -0.95 0.03 0.00 -1.41 0.00 0.00 60.65 59.00 3b4p s ILE 110 Cb -0.38 -1.79 0.15 0.00 0.13 0.00 0.00 42.46 40.57 3b4p s ILE 110 CO 0.46 0.54 0.31 -0.69 -1.91 0.00 0.00 174.94 173.65 3b4p s VAL 111 N 0.89 1.67 -0.21 4.00 1.01 0.34 -0.92 120.40 127.18 3b4p s VAL 111 Ca -0.05 -3.01 -0.07 0.00 0.00 0.00 0.00 61.98 58.85 3b4p s VAL 111 Cb -0.15 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3b4p s VAL 111 CO -0.03 -0.96 0.05 -0.36 0.00 0.00 0.00 175.10 173.79 3b4p s PHE 112 N -0.14 3.13 0.17 5.22 2.99 -1.26 -4.29 117.98 123.80 3b4p s PHE 112 Ca 0.21 -0.22 -0.32 0.00 0.00 0.00 0.00 56.93 56.61 3b4p s PHE 112 Cb -0.16 -2.14 -0.12 0.00 0.00 0.00 0.00 43.02 40.61 3b4p s PHE 112 CO -0.07 -0.12 1.73 -2.30 -0.00 0.00 0.00 175.22 174.47 3b4p n PRO 113 N 4.19 2.66 0.00 0.24 -0.02 -1.26 -1.84 135.00 138.98 3b4p n PRO 113 Ca -0.16 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3b4p n PRO 113 Cb 0.52 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 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 3.95 0.60 3.33 -1.23 0.00 -1.26 -5.03 105.19 105.55 3b4p n GLY 114 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 1.60 0.51 1.61 1.51 -0.76 -5.13 117.35 114.68 3b4p s TYR 115 Ca 0.00 -0.71 -0.21 0.00 -1.01 0.00 0.00 57.07 55.14 3b4p s TYR 115 Cb 0.00 -0.83 -0.06 0.00 -0.11 0.00 0.00 41.96 40.96 3b4p s TYR 115 CO 0.00 0.20 1.17 -2.14 -1.11 0.00 0.00 175.55 173.67 3b4p s PRO 116 N -3.73 3.49 0.15 -1.71 0.02 -1.26 -4.62 135.00 127.33 3b4p s PRO 116 Ca 0.23 1.76 -0.34 0.00 0.02 0.00 0.00 61.00 62.67 3b4p s PRO 116 Cb 0.02 -2.20 -0.16 0.00 0.02 0.00 0.00 34.50 32.18 3b4p s PRO 116 CO 0.06 -0.77 1.30 -2.13 -0.33 0.00 0.00 177.00 175.13 3b4p n ARG 117 N -0.93 1.36 -4.47 5.54 0.63 -1.26 -4.77 116.66 112.76 3b4p n ARG 117 Ca 0.10 0.49 -0.24 0.00 -0.92 0.00 0.00 57.85 57.28 3b4p n ARG 117 Cb 0.49 -2.09 -0.08 0.00 0.45 0.00 0.00 32.46 31.23 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 0.32 2.49 -0.21 5.14 0.00 -0.09 -4.98 107.32 109.97 3b4p s GLY 118 Ca 0.78 -1.42 -0.02 0.00 0.00 0.00 0.00 44.72 44.06 3b4p s GLY 118 CO 0.48 -1.77 -0.09 1.62 0.00 0.00 0.00 173.10 173.34 3b4p s GLN 119 N -3.72 3.16 -0.14 2.90 2.00 -1.26 -1.15 119.66 121.46 3b4p s GLN 119 Ca 0.27 -0.75 -0.05 0.00 -2.00 0.00 0.00 55.36 52.83 3b4p s GLN 119 Cb 0.03 -2.87 -0.04 0.00 0.80 0.00 0.00 33.01 30.93 3b4p s GLN 119 CO 0.16 -0.24 0.03 -0.47 -0.50 0.00 0.00 175.29 174.27 3b4p s TYR 120 N 1.39 3.21 0.02 1.67 5.04 0.22 -4.63 117.35 124.27 3b4p s TYR 120 Ca 0.05 0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.76 3b4p s TYR 120 Cb -0.14 -1.95 -0.01 0.00 0.35 0.00 0.00 41.96 40.20 3b4p s TYR 120 CO -0.06 0.27 -0.05 1.03 -1.34 0.00 0.00 175.55 175.39 3b4p s ARG 121 N -0.16 0.39 0.28 4.97 0.52 -1.26 -1.33 118.95 122.37 3b4p s ARG 121 Ca 0.06 -0.45 -0.21 0.00 -0.52 0.00 0.00 55.73 54.61 3b4p s ARG 121 Cb -0.12 -0.23 0.03 0.00 0.52 0.00 0.00 34.95 35.14 3b4p s ARG 121 CO 0.02 0.05 0.75 1.21 0.02 0.00 0.00 175.30 177.34 3b4p s ASN 122 N -0.88 -0.22 -0.13 0.23 3.04 -0.72 -4.79 114.94 111.47 3b4p s ASN 122 Ca -0.06 -0.66 -0.05 0.00 0.04 0.00 0.00 52.86 52.14 3b4p s ASN 122 Cb -0.06 0.73 -0.04 0.00 -1.54 0.00 0.00 41.25 40.34 3b4p s ASN 122 CO -0.00 -1.36 0.05 -2.28 -3.04 0.00 0.00 177.10 170.48 3b4p s HIS 123 N -3.69 3.29 0.06 0.43 5.65 -1.26 -1.63 115.29 118.14 3b4p s HIS 123 Ca 0.12 0.22 0.05 0.00 0.25 0.00 0.00 55.06 55.69 3b4p s HIS 123 Cb -0.06 -1.92 -0.03 0.00 -1.18 0.00 0.00 32.58 29.40 3b4p s HIS 123 CO 0.07 0.42 -0.13 -0.06 -0.65 0.00 0.00 174.74 174.39 3b4p s PHE 124 N -0.50 1.14 -0.06 3.88 0.40 -0.19 -4.22 117.98 118.42 3b4p s PHE 124 Ca 0.10 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 56.03 3b4p s PHE 124 Cb -0.12 -0.65 -0.00 0.00 0.51 0.00 0.00 43.02 42.76 3b4p s PHE 124 CO 0.02 0.04 -0.20 -0.51 0.70 0.00 0.00 175.22 175.26 3b4p s LEU 125 N -1.60 1.97 0.01 -0.37 1.43 -0.34 -1.42 118.68 118.35 3b4p s LEU 125 Ca -0.02 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 3b4p s LEU 125 Cb -0.10 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 3b4p s LEU 125 CO 0.02 0.17 -0.24 -1.00 0.23 0.00 0.00 176.35 175.53 3b4p s HIS 126 N 0.10 2.15 -0.11 0.29 3.76 0.06 -0.55 115.29 120.99 3b4p s HIS 126 Ca -0.08 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.41 3b4p s HIS 126 Cb -0.14 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.18 3b4p s HIS 126 CO 0.04 0.03 -0.04 0.45 -0.85 0.00 0.00 174.74 174.36 3b4p s SER 127 N -0.83 4.80 -0.13 1.40 0.15 -0.06 -0.72 113.70 118.30 3b4p s SER 127 Ca 0.10 -0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 3b4p s SER 127 Cb -0.09 -1.52 0.03 0.00 -1.71 0.00 0.00 66.02 62.73 3b4p s SER 127 CO 0.00 0.27 -0.06 -0.36 1.20 0.00 0.00 173.24 174.29 3b4p s PHE 128 N -0.24 1.47 -0.08 3.44 0.08 -0.23 -1.41 117.98 121.00 3b4p s PHE 128 Ca 0.04 -0.80 0.01 0.00 0.12 0.00 0.00 56.93 56.31 3b4p s PHE 128 Cb -0.13 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 3b4p s PHE 128 CO 0.02 -0.53 -0.12 1.03 -0.10 0.00 0.00 175.22 175.52 3b4p s ARG 129 N 1.71 2.88 0.22 0.44 0.52 0.46 -0.63 118.95 124.56 3b4p s ARG 129 Ca 0.04 -0.65 0.09 0.00 -0.52 0.00 0.00 55.73 54.68 3b4p s ARG 129 Cb -0.13 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 3b4p s ARG 129 CO -0.08 0.49 -0.01 -0.06 0.02 0.00 0.00 175.30 175.67 3b4p s PHE 130 N -0.37 2.76 -0.23 -0.53 0.08 0.22 0.11 117.98 120.02 3b4p s PHE 130 Ca 0.04 -0.19 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 3b4p s PHE 130 Cb -0.12 -1.28 0.11 0.00 -0.57 0.00 0.00 43.02 41.16 3b4p s PHE 130 CO 0.02 0.56 0.45 -2.00 -0.10 0.00 0.00 175.22 174.16 3b4p s GLU 131 N -3.30 0.38 -1.37 0.44 2.12 -0.15 -4.77 118.70 112.06 3b4p s GLU 131 Ca 0.29 0.98 -0.08 0.00 0.36 0.00 0.00 54.97 56.52 3b4p s GLU 131 Cb -0.08 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.58 3b4p s GLU 131 CO 0.19 -0.36 1.09 0.09 -0.54 0.00 0.00 175.26 175.74 3b4p n ASN 132 N 5.40 -5.14 0.00 -1.70 3.02 -1.26 -1.81 115.26 113.76 3b4p n ASN 132 Ca -0.07 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 3b4p n ASN 132 Cb 0.50 -4.78 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 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 -1.80 0.45 3.50 7.41 0.00 -1.26 -5.00 105.19 108.49 3b4p n GLY 133 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 2.69 -0.23 0.99 1.43 -0.75 -4.88 118.68 117.94 3b4p s LEU 134 Ca 0.00 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 3b4p s LEU 134 Cb 0.00 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 45.00 3b4p s LEU 134 CO 0.00 0.04 1.06 -0.63 0.23 0.00 0.00 176.35 177.05 3b4p s ILE 135 N -2.38 4.64 -0.04 -0.59 1.01 0.11 -0.97 121.20 122.98 3b4p s ILE 135 Ca 0.29 1.98 0.10 0.00 0.00 0.00 0.00 60.65 63.02 3b4p s ILE 135 Cb -0.06 -4.28 -0.23 0.00 0.01 0.00 0.00 42.46 37.90 3b4p s ILE 135 CO 0.15 -0.18 0.68 0.50 0.00 0.00 0.00 174.94 176.09 3b4p h LYS 136 N 7.54 0.03 -1.76 2.79 1.63 -0.63 -0.51 116.57 125.66 3b4p h LYS 136 Ca -0.20 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.58 3b4p h LYS 136 Cb 1.06 0.02 -0.23 0.00 -0.60 0.00 0.00 32.23 32.49 3b4p h LYS 136 CO 0.98 0.60 -0.25 -2.00 -3.45 0.00 0.00 179.45 175.32 3b4p s GLU 137 N -2.60 0.51 -0.17 1.90 2.12 -0.92 -1.11 118.70 118.43 3b4p s GLU 137 Ca -0.06 1.14 -0.05 0.00 0.36 0.00 0.00 54.97 56.36 3b4p s GLU 137 Cb 0.08 0.53 -0.03 0.00 0.26 0.00 0.00 34.13 34.97 3b4p s GLU 137 CO 0.82 -0.39 0.01 -1.14 -0.54 0.00 0.00 175.26 174.02 3b4p s GLN 138 N 2.80 3.80 -0.05 4.30 -0.44 0.56 -0.40 119.66 130.23 3b4p s GLN 138 Ca 0.05 -0.44 0.02 0.00 -2.50 0.00 0.00 55.36 52.50 3b4p s GLN 138 Cb -0.13 -3.05 0.01 0.00 -1.64 0.00 0.00 33.01 28.20 3b4p s GLN 138 CO -0.18 0.26 -0.11 1.03 0.50 0.00 0.00 175.29 176.79 3b4p s ARG 139 N 0.35 1.37 -0.15 1.67 0.52 -0.50 -2.64 118.95 119.56 3b4p s ARG 139 Ca -0.01 -0.36 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 3b4p s ARG 139 Cb -0.13 -1.19 -0.04 0.00 0.52 0.00 0.00 34.95 34.11 3b4p s ARG 139 CO 0.02 0.06 0.03 -2.00 0.02 0.00 0.00 175.30 173.42 3b4p s GLU 140 N 0.50 3.66 -0.12 3.54 2.12 -0.09 -0.88 118.70 127.43 3b4p s GLU 140 Ca -0.10 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.86 3b4p s GLU 140 Cb -0.13 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.23 3b4p s GLU 140 CO 0.02 0.38 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.88 3b4p s PHE 141 N 0.02 2.26 0.28 5.30 0.40 0.28 -0.28 117.98 126.25 3b4p s PHE 141 Ca 0.04 -1.08 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 3b4p s PHE 141 Cb -0.13 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.83 3b4p s PHE 141 CO 0.02 -0.51 0.36 0.00 0.70 0.00 0.00 175.22 175.78 3b4p n MET 142 N 4.07 0.52 -3.25 0.44 0.00 -1.26 -1.20 117.12 116.44 3b4p n MET 142 Ca -0.20 -2.38 -0.44 0.00 0.00 0.00 0.00 57.70 54.69 3b4p n MET 142 Cb 0.52 2.21 -0.07 0.00 0.00 0.00 0.00 33.22 35.87 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 -2.80 6.20 0.64 3.17 3.84 -1.26 -4.83 114.94 119.89 3b4p s ASN 143 Ca 0.26 -0.94 0.39 0.00 0.21 0.00 0.00 52.86 52.78 3b4p s ASN 143 Cb -0.00 -2.25 2.18 0.00 -0.55 0.00 0.00 41.25 40.63 3b4p s ASN 143 CO 0.18 -0.75 2.33 -0.65 -2.79 0.00 0.00 177.10 175.42 3b4p h PRO 144 N 8.86 0.00 -0.33 0.43 0.11 -1.96 -2.16 132.00 136.96 3b4p h PRO 144 Ca -0.27 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.86 3b4p h PRO 144 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3b4p h PRO 144 CO 0.90 0.00 0.22 0.00 -0.21 0.00 0.00 178.00 178.91 3b4p h GLU 146 N 0.35 0.17 -0.35 0.00 4.39 -1.73 -1.70 114.58 115.70 3b4p h GLU 146 Ca 0.13 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.60 3b4p h GLU 146 Cb 0.11 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3b4p h GLU 146 CO -0.03 0.65 -0.30 0.37 -1.16 0.00 0.00 179.01 178.55 3b4p h GLN 147 N 0.14 0.82 -0.30 2.33 4.15 -1.42 -2.37 115.11 118.47 3b4p h GLN 147 Ca 0.00 -0.41 0.05 0.00 0.77 0.00 0.00 58.65 59.06 3b4p h GLN 147 Cb 0.97 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.61 3b4p h GLN 147 CO 0.08 1.05 -0.02 0.74 -1.93 0.00 0.00 178.83 178.74 3b4p h PHE 148 N 0.61 -0.06 -0.67 3.99 0.04 -0.77 -2.34 116.94 117.74 3b4p h PHE 148 Ca 0.06 0.02 0.10 0.00 2.80 0.00 0.00 57.97 60.95 3b4p h PHE 148 Cb 0.87 0.07 -0.07 0.00 2.20 0.00 0.00 35.95 39.02 3b4p h PHE 148 CO 0.07 -0.08 0.30 0.00 -0.60 0.00 0.00 178.31 178.00 3b4p h ARG 149 N 0.06 0.49 0.00 1.51 3.08 -1.22 -0.60 114.38 117.70 3b4p h ARG 149 Ca 0.14 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3b4p h ARG 149 Cb 0.20 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3b4p h ARG 149 CO -0.26 0.33 -0.04 0.66 -1.07 0.00 0.00 179.97 179.59 3b4p h SER 150 N 0.51 0.00 0.06 7.04 4.64 -0.90 -1.88 113.55 123.02 3b4p h SER 150 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3b4p h SER 150 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3b4p h SER 150 CO -0.30 0.04 -0.37 0.18 -0.87 0.00 0.00 176.83 175.52 3b4p n LEU 151 N -3.49 1.74 -0.55 5.97 4.77 -0.52 -4.26 117.00 120.66 3b4p n LEU 151 Ca -0.02 -0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 55.29 3b4p n LEU 151 Cb 0.15 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3b4p n LEU 151 CO 0.26 0.32 -0.07 0.61 -1.33 0.00 0.00 177.39 177.18 3b4p n GLY 152 N 1.38 0.73 3.69 -0.72 0.00 -0.71 -4.57 105.19 104.99 3b4p n GLY 152 Ca 0.11 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.26 5.07 0.31 -0.61 1.01 -0.35 -5.01 121.20 119.36 3b4p s ILE 153 Ca 0.00 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.54 3b4p s ILE 153 Cb 0.00 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.43 3b4p s ILE 153 CO 0.00 0.20 1.51 -0.70 0.00 0.00 0.00 174.94 175.95 3b4p s GLU 154 N 1.29 4.18 -0.18 2.79 2.56 -1.26 -4.05 118.70 124.03 3b4p s GLU 154 Ca 0.30 2.48 -0.12 0.00 0.00 0.00 0.00 54.97 57.62 3b4p s GLU 154 Cb -0.16 -3.04 -0.05 0.00 2.00 0.00 0.00 34.13 32.89 3b4p s GLU 154 CO 0.12 -0.52 0.24 0.08 -0.56 0.00 0.00 175.26 174.62 3b4p s VAL 155 N -0.37 5.34 0.53 3.70 1.01 -1.26 -5.01 120.40 124.34 3b4p s VAL 155 Ca 0.58 0.42 -0.22 0.00 0.00 0.00 0.00 61.98 62.76 3b4p s VAL 155 Cb -0.45 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3b4p s VAL 155 CO 0.51 0.40 1.33 -2.65 0.00 0.00 0.00 175.10 174.69 3b4p n PRO 156 N 3.61 1.72 -4.31 2.72 -0.02 -1.26 -5.01 135.00 132.44 3b4p n PRO 156 Ca -0.13 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 3b4p n PRO 156 Cb 0.52 -2.53 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 3b4p n PRO 156 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3b4p s GLU 157 N -2.76 3.73 -0.18 -0.52 2.12 -1.26 -5.10 118.70 114.73 3b4p s GLU 157 Ca 0.70 -0.49 -0.17 0.00 0.36 0.00 0.00 54.97 55.38 3b4p s GLU 157 Cb -0.43 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 3b4p s GLU 157 CO 0.51 0.24 0.43 0.08 -0.54 0.00 0.00 175.26 175.97 3b4p s VAL 158 N 0.40 5.19 -0.18 3.70 1.01 -1.26 -5.05 120.40 124.20 3b4p s VAL 158 Ca -0.03 0.78 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 3b4p s VAL 158 Cb -0.14 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3b4p s VAL 158 CO 0.02 0.26 0.62 -0.13 0.00 0.00 0.00 175.10 175.88 3b4p s ARG 159 N 1.17 4.24 -0.86 2.72 0.52 -1.26 -4.99 118.95 120.49 3b4p s ARG 159 Ca 0.21 0.62 0.01 0.00 -0.52 0.00 0.00 55.73 56.04 3b4p s ARG 159 Cb -0.15 -3.56 0.27 0.00 0.52 0.00 0.00 34.95 32.03 3b4p s ARG 159 CO 0.08 -0.19 1.04 0.54 0.02 0.00 0.00 175.30 176.80 3b4p n ARG 160 N 4.84 3.31 -1.86 3.54 1.74 -1.26 -5.05 116.66 121.93 3b4p n ARG 160 Ca -0.02 -4.60 -0.42 0.00 -0.77 0.00 0.00 57.85 52.05 3b4p n ARG 160 Cb 0.50 -2.38 -0.02 0.00 -1.02 0.00 0.00 32.46 29.54 3b4p n ARG 160 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3b4p s ASP 161 N -1.81 6.47 0.00 0.55 1.11 -1.26 -1.81 116.67 119.92 3b4p s ASP 161 Ca 0.34 2.83 0.00 0.00 0.18 0.00 0.00 52.55 55.90 3b4p s ASP 161 Cb 0.07 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.44 3b4p s ASP 161 CO 0.01 -0.85 0.00 0.61 1.18 0.00 0.00 175.17 176.12 3b4p n GLY 162 N 2.55 1.69 3.67 0.21 0.00 -1.26 -5.01 105.19 107.03 3b4p n GLY 162 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 4.33 0.97 0.99 2.96 -0.75 -4.97 118.68 122.21 3b4p s LEU 163 Ca 0.00 2.26 -0.12 0.00 -0.22 0.00 0.00 54.13 56.05 3b4p s LEU 163 Cb 0.00 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.33 3b4p s LEU 163 CO 0.00 -0.90 1.09 -2.16 -1.32 0.00 0.00 176.35 173.06 3b4p s PRO 164 N 3.72 0.62 0.00 0.98 0.05 -1.26 -5.10 135.00 134.01 3b4p s PRO 164 Ca 0.73 0.60 0.00 0.00 0.05 0.00 0.00 61.00 62.38 3b4p s PRO 164 Cb -0.34 -1.75 0.00 0.00 0.05 0.00 0.00 34.50 32.46 3b4p s PRO 164 CO 0.30 -2.62 0.00 0.43 0.05 0.00 0.00 177.00 175.15