#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k74 h LEU 2 N 0.00 0.30 -1.82 4.03 4.07 -2.07 1.29 115.31 121.12 2k74 h LEU 2 Ca 0.00 0.07 0.07 0.00 0.08 0.00 0.00 57.88 58.10 2k74 h LEU 2 Cb 0.00 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 2k74 h LEU 2 CO 0.00 0.03 0.26 -0.09 -1.08 0.00 0.00 178.44 177.56 2k74 h ARG 3 N 0.25 0.22 -0.08 1.13 2.43 -2.01 -1.68 114.38 114.64 2k74 h ARG 3 Ca 0.62 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.66 2k74 h ARG 3 Cb 1.85 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 31.35 2k74 h ARG 3 CO -0.24 0.14 -0.40 0.35 -1.51 0.00 0.00 179.97 178.32 2k74 h PHE 4 N 0.22 0.55 -1.01 2.20 3.57 0.12 -3.13 116.94 119.47 2k74 h PHE 4 Ca 0.17 -0.24 0.27 0.00 3.53 0.00 0.00 57.97 61.70 2k74 h PHE 4 Cb 0.40 -0.08 -0.13 0.00 2.79 0.00 0.00 35.95 38.92 2k74 h PHE 4 CO -0.00 1.00 0.59 -0.07 -2.23 0.00 0.00 178.31 177.60 2k74 h LEU 5 N -0.06 0.61 -1.26 0.59 -0.00 -1.05 1.58 115.31 115.73 2k74 h LEU 5 Ca -0.03 0.15 -0.07 0.00 -0.00 0.00 0.00 57.88 57.93 2k74 h LEU 5 Cb 1.05 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 2k74 h LEU 5 CO 0.08 0.02 -0.34 -1.13 -0.00 0.00 0.00 178.44 177.07 2k74 h ASN 6 N 0.49 0.00 0.01 -0.43 -0.00 -1.47 -1.34 115.58 112.83 2k74 h ASN 6 Ca 0.68 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.95 2k74 h ASN 6 Cb 1.40 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.72 2k74 h ASN 6 CO -0.52 0.34 -0.12 -0.61 -0.00 0.00 0.00 177.43 176.53 2k74 h GLN 7 N 0.00 0.03 -0.22 6.67 4.15 0.21 -2.50 115.11 123.45 2k74 h GLN 7 Ca -0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 2k74 h GLN 7 Cb 0.69 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2k74 h GLN 7 CO 0.04 1.02 0.08 0.00 -1.93 0.00 0.00 178.83 178.04 2k74 h ALA 8 N -0.01 1.73 0.02 3.38 0.00 -0.33 -2.11 119.26 121.94 2k74 h ALA 8 Ca -0.03 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 2k74 h ALA 8 Cb 1.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k74 h ALA 8 CO 0.01 0.22 -0.98 0.77 0.00 0.00 0.00 179.25 179.27 2k74 h SER 9 N 0.30 0.45 0.00 0.00 0.02 -1.34 -3.01 113.55 109.98 2k74 h SER 9 Ca 0.08 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2k74 h SER 9 Cb 0.09 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2k74 h SER 9 CO -0.01 1.20 0.00 0.00 -1.14 0.00 0.00 176.83 176.88 2k74 n GLN 10 N -3.69 0.64 -3.84 3.45 6.02 -0.80 -4.62 117.38 114.54 2k74 n GLN 10 Ca -0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.57 2k74 n GLN 10 Cb 0.86 -1.13 -0.06 0.00 1.02 0.00 0.00 30.24 30.94 2k74 n GLN 10 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2k74 s GLY 11 N -1.53 2.20 0.54 1.08 0.00 -1.14 -4.97 107.32 103.51 2k74 s GLY 11 Ca 0.08 -0.62 0.32 0.00 0.00 0.00 0.00 44.72 44.50 2k74 s GLY 11 CO 0.06 -0.40 2.02 -0.09 0.00 0.00 0.00 173.10 174.69 2k74 h ARG 12 N 4.54 0.00 -0.18 2.90 2.43 -1.87 -2.94 114.38 119.26 2k74 h ARG 12 Ca -0.53 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.59 2k74 h ARG 12 Cb 1.21 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2k74 h ARG 12 CO 0.62 0.06 -0.11 0.78 -1.51 0.00 0.00 179.97 179.81 2k74 h GLY 13 N 1.63 0.42 0.99 2.80 0.00 -1.94 -1.42 103.07 105.55 2k74 h GLY 13 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2k74 h GLY 13 CO 0.01 0.36 0.01 0.00 0.00 0.00 0.00 176.54 176.92 2k74 h ALA 14 N 0.67 0.02 -0.72 3.60 0.00 -1.70 0.25 119.26 121.37 2k74 h ALA 14 Ca 0.04 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2k74 h ALA 14 Cb 0.61 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2k74 h ALA 14 CO 0.03 -0.47 0.45 -1.49 0.00 0.00 0.00 179.25 177.76 2k74 h TRP 15 N 0.01 0.83 -0.18 0.00 4.06 -1.55 -0.95 115.95 118.16 2k74 h TRP 15 Ca 0.01 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.90 2k74 h TRP 15 Cb 0.01 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 27.89 2k74 h TRP 15 CO -0.07 0.46 -0.23 1.25 -3.56 0.00 0.00 178.44 176.28 2k74 h LEU 16 N 0.86 0.33 -1.23 -4.49 5.85 -0.88 -2.32 115.31 113.43 2k74 h LEU 16 Ca 0.30 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2k74 h LEU 16 Cb 0.06 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2k74 h LEU 16 CO -0.13 0.57 -0.37 0.25 -0.34 0.00 0.00 178.44 178.42 2k74 h LEU 17 N 0.30 0.04 -0.49 2.25 6.46 0.76 -2.60 115.31 122.03 2k74 h LEU 17 Ca 0.05 -0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.63 2k74 h LEU 17 Cb 0.58 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 2k74 h LEU 17 CO 0.04 0.40 -0.72 0.24 -0.62 0.00 0.00 178.44 177.78 2k74 h MET 18 N 0.03 0.24 -0.01 1.25 2.86 -0.73 -2.57 114.93 116.01 2k74 h MET 18 Ca 0.00 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2k74 h MET 18 Cb 0.66 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.37 2k74 h MET 18 CO 0.05 0.86 0.00 0.00 1.06 0.00 0.00 176.91 178.88 2k74 h ALA 19 N 1.08 0.01 0.16 6.32 0.00 -1.17 -2.82 119.26 122.85 2k74 h ALA 19 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k74 h ALA 19 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k74 h ALA 19 CO 0.11 -0.40 -0.08 0.74 0.00 0.00 0.00 179.25 179.63 2k74 h PHE 20 N -0.17 -0.20 -0.91 0.00 -1.00 -1.55 -2.75 116.94 110.35 2k74 h PHE 20 Ca 0.00 -0.00 0.18 0.00 2.81 0.00 0.00 57.97 60.96 2k74 h PHE 20 Cb 0.18 0.07 -0.17 0.00 3.61 0.00 0.00 35.95 39.64 2k74 h PHE 20 CO -0.01 -0.03 -0.24 1.79 -1.61 0.00 0.00 178.31 178.21 2k74 h THR 21 N -0.34 0.08 -0.92 -1.55 1.35 -1.45 1.04 112.91 111.11 2k74 h THR 21 Ca -0.02 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.87 2k74 h THR 21 Cb 0.27 0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 66.71 2k74 h THR 21 CO 0.04 0.00 0.60 0.00 -0.25 0.00 0.00 175.52 175.91 2k74 h ALA 22 N 1.85 1.21 -0.45 6.62 0.00 -1.34 -2.12 119.26 125.04 2k74 h ALA 22 Ca 0.43 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 2k74 h ALA 22 Cb 0.66 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k74 h ALA 22 CO -0.94 0.47 -0.27 -0.07 0.00 0.00 0.00 179.25 178.45 2k74 h LEU 23 N 1.17 1.00 -0.91 0.00 3.38 0.11 -2.52 115.31 117.53 2k74 h LEU 23 Ca 0.36 -0.40 0.18 0.00 0.09 0.00 0.00 57.88 58.12 2k74 h LEU 23 Cb -0.01 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 40.36 2k74 h LEU 23 CO -0.12 1.19 0.49 0.00 0.09 0.00 0.00 178.44 180.10 2k74 h ALA 24 N 0.87 1.46 -0.04 1.53 0.00 0.73 0.33 119.26 124.13 2k74 h ALA 24 Ca 0.10 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 2k74 h ALA 24 Cb 0.85 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k74 h ALA 24 CO 0.07 -0.15 -0.78 -0.07 0.00 0.00 0.00 179.25 178.33 2k74 h LEU 25 N 0.61 0.36 -0.24 0.00 4.07 -1.34 -1.38 115.31 117.38 2k74 h LEU 25 Ca 0.53 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 58.19 2k74 h LEU 25 Cb 0.86 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 2k74 h LEU 25 CO -0.41 1.00 -0.02 -0.08 -1.08 0.00 0.00 178.44 177.84 2k74 h GLU 26 N 0.19 0.44 -0.09 1.13 4.57 -0.24 -2.90 114.58 117.68 2k74 h GLU 26 Ca -0.03 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 57.92 2k74 h GLU 26 Cb 1.36 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 2k74 h GLU 26 CO 0.12 0.64 -0.21 1.25 -1.18 0.00 0.00 179.01 179.63 2k74 h LEU 27 N 0.19 0.34 -0.90 1.64 6.46 -0.56 -2.06 115.31 120.42 2k74 h LEU 27 Ca 0.06 -0.58 0.24 0.00 -0.12 0.00 0.00 57.88 57.48 2k74 h LEU 27 Cb 0.46 -0.10 -0.13 0.00 -0.73 0.00 0.00 40.66 40.16 2k74 h LEU 27 CO 0.02 0.86 0.36 0.74 -0.62 0.00 0.00 178.44 179.80 2k74 h THR 28 N -0.17 0.40 0.00 1.05 2.02 -1.29 0.75 112.91 115.68 2k74 h THR 28 Ca -0.00 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2k74 h THR 28 Cb 0.81 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2k74 h THR 28 CO 0.05 0.06 -0.32 0.00 0.37 0.00 0.00 175.52 175.68 2k74 h ALA 29 N 1.75 0.84 0.00 6.16 0.00 -1.52 -3.13 119.26 123.36 2k74 h ALA 29 Ca 0.58 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2k74 h ALA 29 Cb 1.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k74 h ALA 29 CO -0.58 0.19 -0.10 1.25 0.00 0.00 0.00 179.25 180.01 2k74 h LEU 30 N 0.00 0.00 0.00 0.00 5.85 0.12 -2.60 115.31 118.69 2k74 h LEU 30 Ca -0.01 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.38 2k74 h LEU 30 Cb 1.12 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 2k74 h LEU 30 CO 0.02 0.10 -2.20 1.87 -0.34 0.00 0.00 178.44 177.89 2k74 n TRP 31 N -3.31 0.24 -0.10 1.25 -0.00 -0.73 -3.63 117.44 111.14 2k74 n TRP 31 Ca -0.00 0.08 -0.14 0.00 -0.00 0.00 0.00 57.50 57.44 2k74 n TRP 31 Cb 0.31 -1.02 -0.03 0.00 -0.00 0.00 0.00 31.31 30.58 2k74 n TRP 31 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2k74 h PHE 32 N 0.00 1.11 0.01 5.87 0.04 -1.47 -1.93 116.94 120.57 2k74 h PHE 32 Ca -0.46 -0.36 -0.00 0.00 2.80 0.00 0.00 57.97 59.95 2k74 h PHE 32 Cb 2.12 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 40.05 2k74 h PHE 32 CO 0.00 1.19 -0.00 1.96 -0.60 0.00 0.00 178.31 180.86 2k74 h GLN 33 N 0.73 -0.01 -0.01 1.51 1.08 -1.67 -2.95 115.11 113.78 2k74 h GLN 33 Ca 0.04 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.27 2k74 h GLN 33 Cb 1.05 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.45 2k74 h GLN 33 CO 0.11 0.78 -0.22 0.45 -0.95 0.00 0.00 178.83 179.00 2k74 h HIS 34 N -0.95 -0.58 0.00 2.96 3.86 -1.67 0.34 115.15 119.10 2k74 h HIS 34 Ca -0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2k74 h HIS 34 Cb 0.80 0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.53 2k74 h HIS 34 CO 0.22 -0.31 0.00 -0.24 0.86 0.00 0.00 177.93 178.46 2k74 h VAL 35 N -0.34 0.00 -0.51 2.45 3.04 -1.49 0.15 116.25 119.55 2k74 h VAL 35 Ca 0.06 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 2k74 h VAL 35 Cb 0.43 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2k74 h VAL 35 CO -0.20 0.00 0.00 0.80 -1.01 0.00 0.00 177.57 177.16 2k74 n MET 36 N -2.79 2.87 -3.69 4.17 0.00 0.41 -4.98 117.12 113.11 2k74 n MET 36 Ca -0.02 -2.35 -0.25 0.00 0.00 0.00 0.00 57.70 55.08 2k74 n MET 36 Cb 0.08 -1.43 0.03 0.00 0.00 0.00 0.00 33.22 31.90 2k74 n MET 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2k74 n LEU 37 N 0.94 -3.14 -4.78 -0.89 4.32 0.91 -4.99 117.00 109.38 2k74 n LEU 37 Ca 0.18 -0.91 -0.24 0.00 -0.02 0.00 0.00 56.01 55.01 2k74 n LEU 37 Cb 0.54 -2.56 -0.05 0.00 -1.62 0.00 0.00 43.42 39.73 2k74 n LEU 37 CO 0.12 0.40 -0.22 -0.76 -1.22 0.00 0.00 177.39 175.71 2k74 s LEU 38 N -6.52 3.70 0.00 2.23 1.02 0.11 -5.00 118.68 114.22 2k74 s LEU 38 Ca 0.21 -0.25 0.06 0.00 0.02 0.00 0.00 54.13 54.17 2k74 s LEU 38 Cb -0.06 -2.28 -0.02 0.00 0.02 0.00 0.00 46.19 43.85 2k74 s LEU 38 CO 0.83 0.03 -0.19 -0.54 0.02 0.00 0.00 176.35 176.50 2k74 s LYS 39 N -3.40 1.48 1.04 1.70 1.02 -1.26 -4.65 119.74 115.67 2k74 s LYS 39 Ca 0.31 -0.75 -0.16 0.00 0.02 0.00 0.00 55.97 55.39 2k74 s LYS 39 Cb -0.09 -1.47 0.22 0.00 -0.52 0.00 0.00 37.83 35.97 2k74 s LYS 39 CO 0.23 0.40 1.19 -1.25 -0.92 0.00 0.00 175.35 175.00 2k74 s PRO 40 N -0.66 0.04 0.39 -1.68 0.04 -1.24 -4.78 135.00 127.10 2k74 s PRO 40 Ca 0.07 -0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.05 2k74 s PRO 40 Cb -0.08 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2k74 s PRO 40 CO -0.00 -2.87 0.16 0.00 0.04 0.00 0.00 177.00 174.33 2k74 h VAL 42 N 1.71 0.81 -0.73 0.00 2.07 -1.87 -1.97 116.25 116.28 2k74 h VAL 42 Ca -0.30 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2k74 h VAL 42 Cb 1.19 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2k74 h VAL 42 CO 0.47 0.01 0.36 -0.07 0.02 0.00 0.00 177.57 178.36 2k74 h LEU 43 N 0.05 0.93 -0.94 2.57 3.38 -1.97 -2.40 115.31 116.94 2k74 h LEU 43 Ca 0.11 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.11 2k74 h LEU 43 Cb 0.15 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 2k74 h LEU 43 CO -0.20 0.78 0.57 -1.28 0.09 0.00 0.00 178.44 178.39 2k74 h SER 44 N 1.03 0.81 -0.29 -0.43 0.87 -1.76 0.19 113.55 113.98 2k74 h SER 44 Ca 0.25 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.75 2k74 h SER 44 Cb 0.09 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2k74 h SER 44 CO -0.03 0.42 -0.24 -0.29 -0.53 0.00 0.00 176.83 176.15 2k74 h ILE 45 N 0.88 1.27 -0.17 2.23 6.09 -1.06 -1.32 117.51 125.44 2k74 h ILE 45 Ca 0.47 -1.36 -0.00 0.00 -1.37 0.00 0.00 64.86 62.60 2k74 h ILE 45 Cb 0.51 1.24 -0.01 0.00 0.47 0.00 0.00 36.82 39.02 2k74 h ILE 45 CO -0.28 0.45 0.11 1.88 -3.07 0.00 0.00 178.15 177.24 2k74 h TYR 46 N 0.67 0.23 -0.76 2.19 0.05 -0.77 0.18 116.97 118.76 2k74 h TYR 46 Ca 0.09 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.81 2k74 h TYR 46 Cb 0.76 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.39 2k74 h TYR 46 CO 0.04 0.18 0.24 0.93 -1.05 0.00 0.00 178.16 178.50 2k74 h GLU 47 N 0.21 1.17 -0.39 4.88 5.08 -1.05 -1.60 114.58 122.87 2k74 h GLU 47 Ca 0.06 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2k74 h GLU 47 Cb 0.02 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2k74 h GLU 47 CO -0.01 0.99 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.81 2k74 h ARG 48 N 1.12 0.68 -0.54 2.33 2.43 -0.88 -2.74 114.38 116.78 2k74 h ARG 48 Ca 0.24 -0.20 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2k74 h ARG 48 Cb 0.30 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2k74 h ARG 48 CO -0.01 0.76 -0.12 0.00 -1.51 0.00 0.00 179.97 179.09 2k74 h ALA 49 N 1.28 0.74 -0.19 2.80 0.00 -0.22 0.63 119.26 124.31 2k74 h ALA 49 Ca 0.11 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k74 h ALA 49 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2k74 h ALA 49 CO 0.03 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.99 2k74 h ALA 50 N 0.92 0.19 0.04 0.00 0.00 -1.04 0.18 119.26 119.56 2k74 h ALA 50 Ca 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2k74 h ALA 50 Cb 0.69 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2k74 h ALA 50 CO 0.05 -0.39 -0.02 1.25 0.00 0.00 0.00 179.25 180.14 2k74 h LEU 51 N 0.12 -0.05 -0.93 0.00 5.85 -1.42 -2.47 115.31 116.41 2k74 h LEU 51 Ca 0.08 -0.62 0.26 0.00 0.84 0.00 0.00 57.88 58.44 2k74 h LEU 51 Cb 0.07 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 40.98 2k74 h LEU 51 CO -0.11 0.68 0.38 0.15 -0.34 0.00 0.00 178.44 179.21 2k74 h PHE 52 N -0.86 0.61 -0.29 1.25 3.04 0.30 0.54 116.94 121.52 2k74 h PHE 52 Ca -0.01 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 2k74 h PHE 52 Cb 0.67 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2k74 h PHE 52 CO 0.16 -0.16 0.03 0.78 -2.02 0.00 0.00 178.31 177.11 2k74 h GLY 53 N 0.30 0.54 0.92 2.40 0.00 -0.68 -2.83 103.07 103.71 2k74 h GLY 53 Ca 0.61 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.59 2k74 h GLY 53 CO -0.61 0.34 0.21 -2.08 0.00 0.00 0.00 176.54 174.40 2k74 h VAL 54 N 0.31 1.04 -0.83 4.60 2.07 0.29 -1.75 116.25 121.98 2k74 h VAL 54 Ca 0.09 -0.15 0.21 0.00 0.82 0.00 0.00 66.70 67.67 2k74 h VAL 54 Cb 0.37 0.58 -0.14 0.00 -1.52 0.00 0.00 31.29 30.57 2k74 h VAL 54 CO 0.01 0.08 0.07 0.25 0.02 0.00 0.00 177.57 178.00 2k74 h LEU 55 N 0.42 -0.27 -1.83 2.57 7.12 -0.04 2.13 115.31 125.42 2k74 h LEU 55 Ca 0.14 0.21 -0.03 0.00 0.13 0.00 0.00 57.88 58.33 2k74 h LEU 55 Cb 0.00 0.35 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2k74 h LEU 55 CO -0.07 -0.20 -0.14 1.23 -0.13 0.00 0.00 178.44 179.13 2k74 h GLY 56 N 0.12 0.00 1.00 3.75 0.00 -1.10 -1.69 103.07 105.15 2k74 h GLY 56 Ca 0.48 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.64 2k74 h GLY 56 CO -0.71 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.25 2k74 h ALA 57 N 1.86 0.26 0.00 3.60 0.00 0.39 -1.76 119.26 123.61 2k74 h ALA 57 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 2k74 h ALA 57 Cb 0.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k74 h ALA 57 CO 0.02 0.50 -0.08 0.00 0.00 0.00 0.00 179.25 179.69 2k74 h ALA 58 N 0.53 1.02 0.15 0.00 0.00 -0.40 0.11 119.26 120.66 2k74 h ALA 58 Ca -0.03 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 2k74 h ALA 58 Cb 1.21 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k74 h ALA 58 CO 0.12 0.10 -0.96 1.25 0.00 0.00 0.00 179.25 179.76 2k74 h LEU 59 N 0.00 0.50 -0.33 0.00 7.12 -1.21 -2.48 115.31 118.91 2k74 h LEU 59 Ca -0.00 -0.94 -0.19 0.00 0.13 0.00 0.00 57.88 56.88 2k74 h LEU 59 Cb 0.61 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 2k74 h LEU 59 CO 0.01 1.46 -0.84 0.40 -0.13 0.00 0.00 178.44 179.34 2k74 h ILE 60 N -0.30 1.46 -0.02 4.05 2.04 -1.22 -3.19 117.51 120.32 2k74 h ILE 60 Ca -0.17 -2.48 -0.15 0.00 1.00 0.00 0.00 64.86 63.05 2k74 h ILE 60 Cb 1.72 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 40.16 2k74 h ILE 60 CO 0.16 0.73 -0.67 1.23 0.00 0.00 0.00 178.15 179.59 2k74 h GLY 61 N 1.70 0.12 0.36 5.37 0.00 -0.89 -2.86 103.07 106.87 2k74 h GLY 61 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2k74 h GLY 61 CO 0.13 0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.82 2k74 n ALA 62 N -2.44 2.00 0.04 3.60 0.00 -0.93 -2.38 120.51 120.40 2k74 n ALA 62 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.32 2k74 n ALA 62 Cb 0.66 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 2k74 n ALA 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2k74 h ILE 63 N 0.00 1.45 0.00 0.00 2.04 -1.63 -3.45 117.51 115.92 2k74 h ILE 63 Ca 0.00 -3.18 0.00 0.00 1.00 0.00 0.00 64.86 62.68 2k74 h ILE 63 Cb 0.00 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2k74 h ILE 63 CO 0.00 0.83 0.00 0.00 0.00 0.00 0.00 178.15 178.98 2k74 n ALA 64 N -2.40 0.00 0.96 1.87 0.00 -1.00 -5.01 120.51 114.93 2k74 n ALA 64 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k74 n ALA 64 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.41 2k74 n ALA 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k74 n PRO 65 N 0.00 0.96 -0.00 0.00 -0.04 -1.08 -3.12 135.00 131.72 2k74 n PRO 65 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2k74 n PRO 65 Cb 0.00 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 2k74 n PRO 65 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k74 n LYS 66 N 0.21 0.80 -4.02 0.54 5.02 -1.26 -4.71 118.16 114.73 2k74 n LYS 66 Ca 0.00 -0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 2k74 n LYS 66 Cb 0.33 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 2k74 n LYS 66 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2k74 s THR 67 N -2.79 1.89 -0.29 -0.18 -4.23 -1.18 -4.95 115.64 103.92 2k74 s THR 67 Ca 0.07 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2k74 s THR 67 Cb 0.14 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2k74 s THR 67 CO 0.77 0.00 0.60 -2.65 -0.54 0.00 0.00 174.62 172.80 2k74 n PRO 68 N -1.53 0.00 -0.33 3.99 -0.02 -1.26 -1.81 135.00 134.03 2k74 n PRO 68 Ca -0.03 0.13 0.33 0.00 -2.02 0.00 0.00 63.50 61.91 2k74 n PRO 68 Cb 0.64 -1.84 0.70 0.00 -0.02 0.00 0.00 33.50 32.99 2k74 n PRO 68 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2k74 h LEU 69 N 0.00 0.09 -0.27 2.45 5.85 -1.92 -2.45 115.31 119.06 2k74 h LEU 69 Ca 0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2k74 h LEU 69 Cb 0.68 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2k74 h LEU 69 CO 0.00 0.01 -0.16 0.03 -0.34 0.00 0.00 178.44 177.98 2k74 h ARG 70 N 0.08 -0.01 -0.08 1.25 3.08 -1.64 1.08 114.38 118.14 2k74 h ARG 70 Ca 0.59 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.66 2k74 h ARG 70 Cb 2.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.22 2k74 h ARG 70 CO -0.08 -0.00 0.09 -0.92 -1.07 0.00 0.00 179.97 177.99 2k74 h TYR 71 N -0.01 0.00 -0.16 3.04 5.03 -1.75 0.47 116.97 123.60 2k74 h TYR 71 Ca 0.04 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.27 2k74 h TYR 71 Cb 0.12 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 2k74 h TYR 71 CO -0.95 0.00 -0.21 0.28 -1.32 0.00 0.00 178.16 175.97 2k74 h VAL 72 N 0.00 1.35 -0.13 1.81 2.07 0.91 -3.01 116.25 119.25 2k74 h VAL 72 Ca 0.04 -1.41 -0.18 0.00 0.82 0.00 0.00 66.70 65.97 2k74 h VAL 72 Cb 0.21 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2k74 h VAL 72 CO -0.00 0.42 -0.67 0.00 0.02 0.00 0.00 177.57 177.33 2k74 h ALA 73 N 0.59 0.57 0.00 1.67 0.00 0.49 -2.63 119.26 119.95 2k74 h ALA 73 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2k74 h ALA 73 Cb 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2k74 h ALA 73 CO 0.05 0.72 0.09 -0.12 0.00 0.00 0.00 179.25 179.99 2k74 n MET 74 N -3.90 0.07 -0.23 0.00 0.00 0.10 -1.63 117.12 111.52 2k74 n MET 74 Ca -0.05 0.54 0.00 0.00 0.00 0.00 0.00 57.70 58.19 2k74 n MET 74 Cb 0.68 -1.83 0.12 0.00 0.00 0.00 0.00 33.22 32.19 2k74 n MET 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2k74 h VAL 75 N 0.00 0.88 0.03 1.12 2.07 -1.33 0.31 116.25 119.34 2k74 h VAL 75 Ca 0.00 -0.21 -0.28 0.00 0.82 0.00 0.00 66.70 67.03 2k74 h VAL 75 Cb 0.18 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2k74 h VAL 75 CO 0.00 0.11 -1.55 0.40 0.02 0.00 0.00 177.57 176.55 2k74 h ILE 76 N 0.61 1.07 0.51 4.57 5.03 -1.53 -2.86 117.51 124.90 2k74 h ILE 76 Ca 0.33 -2.84 -0.03 0.00 -0.12 0.00 0.00 64.86 62.20 2k74 h ILE 76 Cb 0.31 2.58 0.01 0.00 -3.03 0.00 0.00 36.82 36.69 2k74 h ILE 76 CO -0.24 0.69 -0.25 -0.25 -0.68 0.00 0.00 178.15 177.42 2k74 h TRP 77 N 0.02 -0.64 -0.12 1.37 2.91 -1.35 -2.67 115.95 115.46 2k74 h TRP 77 Ca -0.23 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.76 2k74 h TRP 77 Cb 1.96 0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 30.82 2k74 h TRP 77 CO 0.02 -0.34 0.02 1.25 -1.03 0.00 0.00 178.44 178.36 2k74 h LEU 78 N -0.82 0.20 -0.90 0.65 5.85 -0.56 -1.40 115.31 118.33 2k74 h LEU 78 Ca -0.07 -0.27 0.24 0.00 0.84 0.00 0.00 57.88 58.63 2k74 h LEU 78 Cb 0.58 -0.05 -0.16 0.00 0.37 0.00 0.00 40.66 41.40 2k74 h LEU 78 CO 0.12 0.41 0.13 1.88 -0.34 0.00 0.00 178.44 180.64 2k74 h TYR 79 N -0.02 0.15 0.00 1.25 -1.99 -1.53 1.44 116.97 116.26 2k74 h TYR 79 Ca 0.04 0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.80 2k74 h TYR 79 Cb 0.30 0.08 -0.00 0.00 2.00 0.00 0.00 36.73 39.11 2k74 h TYR 79 CO 0.02 -0.31 -0.11 0.66 -0.00 0.00 0.00 178.16 178.42 2k74 h SER 80 N 0.11 0.00 0.93 3.88 4.64 -1.33 -2.85 113.55 118.93 2k74 h SER 80 Ca 0.55 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.83 2k74 h SER 80 Cb 1.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2k74 h SER 80 CO -0.76 0.11 -0.47 0.00 -0.87 0.00 0.00 176.83 174.83 2k74 h ALA 81 N 1.89 -1.33 0.04 5.18 0.00 0.31 0.87 119.26 126.22 2k74 h ALA 81 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k74 h ALA 81 Cb 1.03 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2k74 h ALA 81 CO 0.01 -1.25 -0.02 0.35 0.00 0.00 0.00 179.25 178.34 2k74 h PHE 82 N -1.28 -0.05 -0.09 0.00 3.04 -1.59 -2.82 116.94 114.15 2k74 h PHE 82 Ca -0.13 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.80 2k74 h PHE 82 Cb 0.99 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 2k74 h PHE 82 CO -0.02 0.56 -0.04 0.00 -2.02 0.00 0.00 178.31 176.79 2k74 h ARG 83 N -0.73 0.19 -0.35 1.11 2.47 -1.60 0.25 114.38 115.71 2k74 h ARG 83 Ca -0.01 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 58.69 2k74 h ARG 83 Cb 0.63 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.90 2k74 h ARG 83 CO 0.01 0.54 0.05 0.78 0.56 0.00 0.00 179.97 181.91 2k74 h GLY 84 N -0.16 0.40 0.70 0.04 0.00 0.62 0.34 103.07 105.00 2k74 h GLY 84 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2k74 h GLY 84 CO 0.01 -0.04 -0.09 -2.08 0.00 0.00 0.00 176.54 174.34 2k74 h VAL 85 N 0.17 1.34 -0.16 4.60 2.07 -1.44 -1.53 116.25 121.31 2k74 h VAL 85 Ca 0.17 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.53 2k74 h VAL 85 Cb 0.20 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2k74 h VAL 85 CO -0.24 0.35 0.26 -0.61 0.02 0.00 0.00 177.57 177.35 2k74 h GLN 86 N -0.11 0.00 0.14 1.57 -0.00 -0.18 -0.49 115.11 116.03 2k74 h GLN 86 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.38 2k74 h GLN 86 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.08 2k74 h GLN 86 CO 0.02 0.00 -1.47 -0.07 0.00 0.00 0.00 178.83 177.31 2k74 h LEU 87 N 0.00 0.46 -1.89 -2.39 3.38 -0.63 -3.31 115.31 110.93 2k74 h LEU 87 Ca 0.07 -0.89 0.16 0.00 0.09 0.00 0.00 57.88 57.32 2k74 h LEU 87 Cb 0.60 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2k74 h LEU 87 CO -0.00 1.65 0.56 0.71 0.09 0.00 0.00 178.44 181.45 2k74 h THR 88 N -0.19 0.36 -0.15 0.22 1.35 -0.05 0.23 112.91 114.69 2k74 h THR 88 Ca -0.30 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.50 2k74 h THR 88 Cb 1.85 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2k74 h THR 88 CO 0.10 0.00 -0.11 1.88 -0.25 0.00 0.00 175.52 177.14 2k74 h TYR 89 N 0.00 0.40 -0.53 4.73 -1.99 -1.57 -2.61 116.97 115.40 2k74 h TYR 89 Ca 0.26 -0.11 0.13 0.00 2.00 0.00 0.00 58.73 61.01 2k74 h TYR 89 Cb 1.38 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.99 2k74 h TYR 89 CO 0.00 0.70 0.37 0.93 -0.00 0.00 0.00 178.16 180.16 2k74 h GLU 90 N -0.02 0.13 -0.01 4.88 5.08 -0.66 -1.27 114.58 122.70 2k74 h GLU 90 Ca 0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2k74 h GLU 90 Cb 0.62 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2k74 h GLU 90 CO 0.03 0.08 -0.02 1.25 -1.00 0.00 0.00 179.01 179.36 2k74 h HIS 91 N 0.13 0.04 0.23 4.33 2.76 -1.27 -2.41 115.15 118.95 2k74 h HIS 91 Ca 0.25 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.42 2k74 h HIS 91 Cb 0.82 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.74 2k74 h HIS 91 CO -0.00 0.53 -0.35 1.79 -1.30 0.00 0.00 177.93 178.60 2k74 h THR 92 N -0.46 0.27 -0.57 6.26 1.35 -0.90 -2.21 112.91 116.65 2k74 h THR 92 Ca 0.00 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.98 2k74 h THR 92 Cb 0.52 0.27 -0.11 0.00 -1.73 0.00 0.00 68.15 67.10 2k74 h THR 92 CO 0.00 0.00 -0.18 0.24 -0.25 0.00 0.00 175.52 175.34 2k74 h MET 93 N -0.65 -0.04 -1.11 4.72 2.07 -1.37 0.41 114.93 118.97 2k74 h MET 93 Ca 0.00 0.00 0.32 0.00 -2.07 0.00 0.00 59.70 57.95 2k74 h MET 93 Cb 0.63 0.01 -0.11 0.00 -1.87 0.00 0.00 31.60 30.26 2k74 h MET 93 CO -0.14 -0.02 0.70 1.25 1.07 0.00 0.00 176.91 179.77 2k74 h LEU 94 N -0.04 0.41 -1.15 1.22 7.12 -0.87 3.96 115.31 125.96 2k74 h LEU 94 Ca 0.27 0.11 -0.09 0.00 0.13 0.00 0.00 57.88 58.31 2k74 h LEU 94 Cb 0.45 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 2k74 h LEU 94 CO -0.61 -0.01 -0.36 -0.61 -0.13 0.00 0.00 178.44 176.73 2k74 h GLN 95 N 0.31 0.12 -0.01 1.25 5.75 0.21 -2.59 115.11 120.15 2k74 h GLN 95 Ca 0.67 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 59.12 2k74 h GLN 95 Cb 1.79 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.34 2k74 h GLN 95 CO -0.37 0.47 -0.35 1.28 -2.65 0.00 0.00 178.83 177.21 2k74 n LEU 96 N -4.09 1.93 -3.69 -2.39 4.32 0.57 -4.74 117.00 108.91 2k74 n LEU 96 Ca -0.02 -0.79 -0.29 0.00 -0.02 0.00 0.00 56.01 54.89 2k74 n LEU 96 Cb 0.42 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.09 2k74 n LEU 96 CO 0.40 0.36 -0.25 -0.47 -1.22 0.00 0.00 177.39 176.20 2k74 s TYR 97 N -2.12 1.88 -0.41 -1.77 5.04 1.18 -5.05 117.35 116.10 2k74 s TYR 97 Ca 0.17 -2.36 -0.28 0.00 -2.44 0.00 0.00 57.07 52.16 2k74 s TYR 97 Cb 0.16 -1.81 0.02 0.00 0.35 0.00 0.00 41.96 40.68 2k74 s TYR 97 CO 0.46 -0.79 1.08 -1.25 -1.34 0.00 0.00 175.55 173.71 2k74 s PRO 98 N 0.42 3.84 -0.39 4.97 0.04 -1.24 -4.36 135.00 138.28 2k74 s PRO 98 Ca 0.18 0.72 0.05 0.00 0.04 0.00 0.00 61.00 61.98 2k74 s PRO 98 Cb -0.24 -3.84 0.32 0.00 0.04 0.00 0.00 34.50 30.78 2k74 s PRO 98 CO 0.01 -1.15 1.26 0.43 0.04 0.00 0.00 177.00 177.58 2k74 n SER 99 N 7.34 -1.79 -0.83 6.66 7.64 -1.26 -5.00 113.62 126.38 2k74 n SER 99 Ca 0.11 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.22 2k74 n SER 99 Cb 0.48 1.53 0.00 0.00 -1.01 0.00 0.00 64.21 65.21 2k74 n SER 99 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k74 n PRO 100 N 0.36 0.68 -4.10 1.43 -0.04 -1.26 -4.78 135.00 127.30 2k74 n PRO 100 Ca -0.01 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.10 2k74 n PRO 100 Cb 0.73 -1.22 -0.09 0.00 -0.04 0.00 0.00 33.50 32.88 2k74 n PRO 100 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2k74 s PHE 101 N -0.14 3.29 0.28 0.54 5.36 -1.26 -4.99 117.98 121.05 2k74 s PHE 101 Ca 0.00 0.18 -0.12 0.00 -0.96 0.00 0.00 56.93 56.03 2k74 s PHE 101 Cb 0.00 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 2k74 s PHE 101 CO 0.00 0.35 0.52 0.00 -1.46 0.00 0.00 175.22 174.63 2k74 s ALA 102 N -0.25 -0.20 -1.21 11.12 0.00 -1.26 -5.00 121.76 124.96 2k74 s ALA 102 Ca 0.08 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.12 2k74 s ALA 102 Cb -0.12 1.03 0.04 0.00 0.00 0.00 0.00 23.12 24.08 2k74 s ALA 102 CO 0.02 -0.87 0.93 0.25 0.00 0.00 0.00 175.76 176.08 2k74 n THR 103 N -0.43 1.52 -3.53 0.00 -2.24 -1.26 -4.44 114.28 103.90 2k74 n THR 103 Ca -0.02 0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 62.13 2k74 n THR 103 Cb 0.61 -1.36 -0.05 0.00 -2.10 0.00 0.00 70.33 67.43 2k74 n THR 103 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k74 s SER 104 N -2.79 -0.65 -0.99 3.42 0.15 -1.26 -5.09 113.70 106.50 2k74 s SER 104 Ca 0.01 0.94 -0.24 0.00 0.70 0.00 0.00 55.95 57.37 2k74 s SER 104 Cb 0.01 1.57 -0.02 0.00 -1.71 0.00 0.00 66.02 65.87 2k74 s SER 104 CO 0.02 -0.14 1.79 1.51 1.20 0.00 0.00 173.24 177.62 2k74 s ASP 105 N 2.09 5.61 -0.33 5.45 1.47 -1.26 -4.91 116.67 124.79 2k74 s ASP 105 Ca -0.06 -1.10 -0.40 0.00 1.18 0.00 0.00 52.55 52.17 2k74 s ASP 105 Cb -0.06 -2.57 -0.16 0.00 -0.34 0.00 0.00 42.92 39.80 2k74 s ASP 105 CO -0.17 -2.34 1.84 0.49 0.68 0.00 0.00 175.17 175.67 2k74 n PHE 106 N 12.25 1.89 -3.64 2.11 3.72 -1.26 -4.91 117.46 127.62 2k74 n PHE 106 Ca 0.39 0.57 -0.06 0.00 -0.05 0.00 0.00 57.45 58.30 2k74 n PHE 106 Cb 0.48 -2.44 -0.07 0.00 -0.94 0.00 0.00 39.48 36.51 2k74 n PHE 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k74 s MET 107 N 4.13 0.67 0.00 -1.08 0.23 -1.26 -4.89 119.30 117.11 2k74 s MET 107 Ca 1.03 1.19 0.00 0.00 -1.03 0.00 0.00 55.69 56.87 2k74 s MET 107 Cb -1.11 0.17 0.00 0.00 -1.53 0.00 0.00 34.83 32.36 2k74 s MET 107 CO 0.65 -0.15 0.00 0.28 -2.03 0.00 0.00 175.02 173.77 2k74 n VAL 108 N 4.33 0.00 -3.50 5.16 0.31 -1.26 -4.85 118.33 118.52 2k74 n VAL 108 Ca -0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 2k74 n VAL 108 Cb 0.58 -0.46 -0.08 0.00 -0.91 0.00 0.00 33.84 32.97 2k74 n VAL 108 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2k74 s ARG 109 N -0.93 2.59 0.23 5.55 0.52 -1.26 -5.06 118.95 120.60 2k74 s ARG 109 Ca 0.00 -1.77 0.10 0.00 -0.52 0.00 0.00 55.73 53.54 2k74 s ARG 109 Cb 0.00 -4.01 -0.05 0.00 0.52 0.00 0.00 34.95 31.41 2k74 s ARG 109 CO 0.00 -1.23 -0.17 -0.59 0.02 0.00 0.00 175.30 173.33 2k74 s PHE 110 N 1.39 1.96 0.35 -0.53 -0.12 -1.26 -5.03 117.98 114.74 2k74 s PHE 110 Ca 0.05 -0.46 -0.23 0.00 -0.05 0.00 0.00 56.93 56.24 2k74 s PHE 110 Cb -0.27 -0.89 -0.16 0.00 -0.63 0.00 0.00 43.02 41.08 2k74 s PHE 110 CO -0.00 0.50 0.25 -2.30 -0.05 0.00 0.00 175.22 173.63 2k74 n PRO 111 N -0.41 0.06 -0.00 1.99 -0.02 -1.26 -4.90 135.00 130.45 2k74 n PRO 111 Ca -0.07 0.02 0.08 0.00 -2.02 0.00 0.00 63.50 61.51 2k74 n PRO 111 Cb 0.60 -1.05 -0.12 0.00 -0.02 0.00 0.00 33.50 32.91 2k74 n PRO 111 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2k74 n GLU 112 N 1.18 0.98 0.00 -0.52 2.13 -1.26 -4.22 120.64 118.92 2k74 n GLU 112 Ca 0.13 -0.07 0.14 0.00 0.66 0.00 0.00 57.16 58.02 2k74 n GLU 112 Cb 0.36 -1.36 0.59 0.00 0.27 0.00 0.00 31.44 31.29 2k74 n GLU 112 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 2k74 n TRP 113 N -1.72 0.00 -3.90 4.31 8.01 -1.26 -4.38 117.44 118.50 2k74 n TRP 113 Ca 0.00 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.91 2k74 n TRP 113 Cb 0.35 -0.20 -0.12 0.00 -2.01 0.00 0.00 31.31 29.33 2k74 n TRP 113 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2k74 s LEU 114 N -2.52 4.78 0.00 -0.99 1.02 -1.26 -4.93 118.68 114.78 2k74 s LEU 114 Ca 0.27 -3.72 0.00 0.00 0.02 0.00 0.00 54.13 50.71 2k74 s LEU 114 Cb 0.20 -1.65 0.00 0.00 0.02 0.00 0.00 46.19 44.76 2k74 s LEU 114 CO 0.49 -0.11 0.42 -2.65 0.02 0.00 0.00 176.35 174.52 2k74 n PRO 115 N 2.17 0.00 0.09 1.29 -0.02 -1.26 -1.97 135.00 135.30 2k74 n PRO 115 Ca 0.17 0.06 0.07 0.00 -2.02 0.00 0.00 63.50 61.78 2k74 n PRO 115 Cb 0.35 -1.54 0.52 0.00 -0.02 0.00 0.00 33.50 32.81 2k74 n PRO 115 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2k74 h LEU 116 N 0.00 0.26 0.04 2.45 6.46 -1.94 1.28 115.31 123.87 2k74 h LEU 116 Ca 0.00 -0.01 -0.38 0.00 -0.12 0.00 0.00 57.88 57.37 2k74 h LEU 116 Cb 0.07 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 39.89 2k74 h LEU 116 CO 0.00 0.19 -2.28 -0.90 -0.62 0.00 0.00 178.44 174.83 2k74 n ASP 117 N -4.50 2.02 -0.04 1.25 5.68 -0.83 -3.41 116.55 116.72 2k74 n ASP 117 Ca 0.01 0.03 -0.14 0.00 -0.50 0.00 0.00 54.79 54.19 2k74 n ASP 117 Cb 0.11 -0.61 -0.08 0.00 -1.14 0.00 0.00 41.12 39.40 2k74 n ASP 117 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2k74 h LYS 118 N -0.08 0.41 0.00 0.11 3.64 -1.65 -1.22 116.57 117.78 2k74 h LYS 118 Ca -0.53 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 2k74 h LYS 118 Cb 1.91 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 2k74 h LYS 118 CO -0.06 0.89 0.00 2.35 -2.27 0.00 0.00 179.45 180.36 2k74 h TRP 119 N -0.01 0.00 -1.96 1.91 2.91 0.14 -3.35 115.95 115.59 2k74 h TRP 119 Ca -0.00 0.00 -0.54 0.00 1.13 0.00 0.00 58.89 59.48 2k74 h TRP 119 Cb 0.90 0.00 -0.37 0.00 -0.51 0.00 0.00 29.16 29.17 2k74 h TRP 119 CO 0.11 0.00 -1.04 0.28 -1.03 0.00 0.00 178.44 176.76 2k74 n VAL 120 N -2.66 -0.77 0.49 2.65 0.31 -1.15 -4.93 118.33 112.26 2k74 n VAL 120 Ca 0.03 -3.71 0.13 0.00 -0.01 0.00 0.00 64.34 60.78 2k74 n VAL 120 Cb 0.34 -1.67 0.33 0.00 -0.91 0.00 0.00 33.84 31.94 2k74 n VAL 120 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2k74 h PRO 121 N 4.37 0.00 -0.54 5.55 0.13 -1.36 -3.33 132.00 136.81 2k74 h PRO 121 Ca 0.10 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.34 2k74 h PRO 121 Cb 0.90 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.93 2k74 h PRO 121 CO 0.43 0.00 -0.06 0.37 -0.23 0.00 0.00 178.00 178.51 2k74 h GLN 122 N 0.00 0.06 -1.86 0.86 4.15 -1.92 -1.73 115.11 114.67 2k74 h GLN 122 Ca 0.00 -0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.80 2k74 h GLN 122 Cb 0.81 -0.01 -0.40 0.00 0.21 0.00 0.00 27.48 28.09 2k74 h GLN 122 CO 0.00 0.04 -0.43 1.33 -1.93 0.00 0.00 178.83 177.84 2k74 n VAL 123 N -5.31 2.95 0.00 2.39 0.24 -1.25 -4.61 118.33 112.74 2k74 n VAL 123 Ca 0.06 -5.16 0.00 0.00 -2.04 0.00 0.00 64.34 57.20 2k74 n VAL 123 Cb 0.29 -1.33 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 2k74 n VAL 123 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2k74 n PHE 124 N -0.38 0.00 -1.67 6.34 -0.00 -1.00 -5.08 117.46 115.67 2k74 n PHE 124 Ca 0.38 0.00 -0.46 0.00 -0.00 0.00 0.00 57.45 57.38 2k74 n PHE 124 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.95 2k74 n PHE 124 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 2k74 n VAL 125 N -1.48 0.06 -3.72 -2.13 0.24 -0.69 -4.92 118.33 105.69 2k74 n VAL 125 Ca 0.00 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.34 61.97 2k74 n VAL 125 Cb 0.00 -1.56 -0.04 0.00 -1.47 0.00 0.00 33.84 30.77 2k74 n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k74 s ALA 126 N 0.86 3.84 -0.29 2.33 0.00 -1.26 -4.95 121.76 122.28 2k74 s ALA 126 Ca 0.78 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.15 2k74 s ALA 126 Cb -0.67 -2.06 0.20 0.00 0.00 0.00 0.00 23.12 20.59 2k74 s ALA 126 CO 0.38 0.69 0.59 -1.12 0.00 0.00 0.00 175.76 176.30 2k74 s SER 127 N -2.49 -1.49 0.00 0.00 0.01 -0.96 -4.71 113.70 104.06 2k74 s SER 127 Ca 0.40 0.37 0.00 0.00 1.31 0.00 0.00 55.95 58.03 2k74 s SER 127 Cb -0.12 2.04 0.00 0.00 0.21 0.00 0.00 66.02 68.15 2k74 s SER 127 CO 0.26 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.23 2k74 n GLY 128 N 5.42 0.98 3.89 3.44 0.00 -1.21 -3.64 105.19 114.07 2k74 n GLY 128 Ca 0.03 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 2k74 n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k74 s ASP 129 N -1.32 6.39 -0.17 1.61 1.11 -1.26 -4.72 116.67 118.31 2k74 s ASP 129 Ca 0.00 0.98 -0.05 0.00 0.18 0.00 0.00 52.55 53.65 2k74 s ASP 129 Cb 0.00 -2.26 -0.03 0.00 1.07 0.00 0.00 42.92 41.70 2k74 s ASP 129 CO 0.00 -0.45 0.01 0.00 1.18 0.00 0.00 175.17 175.91 2k74 n ALA 131 N 3.66 0.00 -2.12 0.00 0.00 -1.26 -5.04 120.51 115.75 2k74 n ALA 131 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2k74 n ALA 131 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 2k74 n ALA 131 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k74 s GLU 132 N -0.70 4.29 -0.08 0.00 8.01 -1.26 -4.88 118.70 124.08 2k74 s GLU 132 Ca 0.00 2.13 -0.29 0.00 0.01 0.00 0.00 54.97 56.81 2k74 s GLU 132 Cb 0.00 -3.30 -0.07 0.00 -4.31 0.00 0.00 34.13 26.46 2k74 s GLU 132 CO 0.00 -0.50 2.00 1.03 0.01 0.00 0.00 175.26 177.80 2k74 s ARG 133 N 1.37 3.77 -0.11 1.61 0.52 -1.26 -4.82 118.95 120.03 2k74 s ARG 133 Ca 0.66 2.30 0.09 0.00 -0.52 0.00 0.00 55.73 58.26 2k74 s ARG 133 Cb -0.38 -4.21 -0.13 0.00 0.52 0.00 0.00 34.95 30.75 2k74 s ARG 133 CO 0.30 -1.37 0.02 1.04 0.02 0.00 0.00 175.30 175.31 2k74 n GLN 134 N 7.94 2.01 -3.63 3.54 1.13 -1.26 -5.06 117.38 122.04 2k74 n GLN 134 Ca 0.23 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.24 2k74 n GLN 134 Cb 0.43 -1.28 -0.06 0.00 0.11 0.00 0.00 30.24 29.43 2k74 n GLN 134 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 2k74 s TRP 135 N -2.27 -0.22 0.05 1.08 -0.11 -1.26 -5.15 118.94 111.06 2k74 s TRP 135 Ca -0.07 0.50 -0.04 0.00 1.22 0.00 0.00 56.10 57.70 2k74 s TRP 135 Cb 0.03 0.45 -0.02 0.00 -1.50 0.00 0.00 33.47 32.43 2k74 s TRP 135 CO 0.44 -0.14 0.07 0.16 -4.62 0.00 0.00 176.95 172.86 2k74 s ASP 136 N -0.27 0.25 -0.07 5.86 1.47 -1.26 -3.24 116.67 119.42 2k74 s ASP 136 Ca 0.05 -0.66 0.02 0.00 1.18 0.00 0.00 52.55 53.14 2k74 s ASP 136 Cb -0.04 0.23 -0.03 0.00 -0.34 0.00 0.00 42.92 42.74 2k74 s ASP 136 CO -0.09 -0.55 -0.11 -0.36 0.68 0.00 0.00 175.17 174.75 2k74 s PHE 137 N -3.02 2.82 -0.75 2.11 0.08 0.17 -4.50 117.98 114.89 2k74 s PHE 137 Ca -0.01 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.91 2k74 s PHE 137 Cb 0.01 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 2k74 s PHE 137 CO -0.07 0.21 0.00 -0.11 -0.10 0.00 0.00 175.22 175.15 2k74 n LEU 138 N 2.42 -0.38 0.00 -0.37 0.00 -1.26 0.12 117.00 117.54 2k74 n LEU 138 Ca -0.18 0.17 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2k74 n LEU 138 Cb 0.53 -1.57 0.00 0.00 0.00 0.00 0.00 43.42 42.37 2k74 n LEU 138 CO 0.27 -0.51 0.00 0.61 0.00 0.00 0.00 177.39 177.76 2k74 n GLY 139 N 0.01 0.89 3.15 -3.96 0.00 -1.26 -5.08 105.19 98.92 2k74 n GLY 139 Ca -0.07 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 2k74 n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k74 s LEU 140 N 0.00 1.97 0.55 0.99 1.43 0.33 -5.05 118.68 118.91 2k74 s LEU 140 Ca 0.00 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 2k74 s LEU 140 Cb 0.00 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 2k74 s LEU 140 CO 0.00 0.18 1.18 -1.61 0.23 0.00 0.00 176.35 176.33 2k74 s GLU 141 N -0.20 3.23 0.18 1.70 0.41 -1.26 0.41 118.70 123.16 2k74 s GLU 141 Ca 0.02 1.75 -0.20 0.00 -0.41 0.00 0.00 54.97 56.13 2k74 s GLU 141 Cb -0.09 -2.03 0.11 0.00 -1.78 0.00 0.00 34.13 30.34 2k74 s GLU 141 CO 0.01 -0.98 1.61 0.52 -0.49 0.00 0.00 175.26 175.93 2k74 h MET 142 N 1.18 -0.16 -1.39 1.61 2.86 -1.94 0.54 114.93 117.64 2k74 h MET 142 Ca -0.50 0.01 0.43 0.00 -2.06 0.00 0.00 59.70 57.58 2k74 h MET 142 Cb 1.28 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.87 2k74 h MET 142 CO 0.57 -0.10 0.93 -1.35 1.06 0.00 0.00 176.91 178.01 2k74 h PRO 143 N -0.16 0.09 0.11 -0.22 0.11 -1.91 0.24 132.00 130.26 2k74 h PRO 143 Ca 0.21 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 2k74 h PRO 143 Cb 0.49 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2k74 h PRO 143 CO -0.54 0.06 -0.05 1.96 -0.21 0.00 0.00 178.00 179.21 2k74 h GLN 144 N 0.10 -0.15 0.74 1.05 1.08 -1.25 -2.68 115.11 114.00 2k74 h GLN 144 Ca 0.78 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.96 2k74 h GLN 144 Cb 2.62 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 30.08 2k74 h GLN 144 CO -0.28 0.33 -0.41 -1.49 -0.95 0.00 0.00 178.83 176.03 2k74 h TRP 145 N -0.74 -1.09 -1.19 2.96 4.06 -0.47 -1.87 115.95 117.61 2k74 h TRP 145 Ca -0.02 -0.02 0.38 0.00 2.06 0.00 0.00 58.89 61.30 2k74 h TRP 145 Cb 0.55 0.38 -0.13 0.00 -1.00 0.00 0.00 29.16 28.96 2k74 h TRP 145 CO 0.10 -0.64 0.75 1.25 -3.56 0.00 0.00 178.44 176.33 2k74 h LEU 146 N -1.07 0.34 -1.45 -4.49 5.85 -0.89 3.37 115.31 116.97 2k74 h LEU 146 Ca -0.10 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2k74 h LEU 146 Cb 0.85 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2k74 h LEU 146 CO 0.12 -0.14 0.22 0.25 -0.34 0.00 0.00 178.44 178.56 2k74 h LEU 147 N 0.18 0.53 -0.21 2.25 6.46 -0.99 0.35 115.31 123.87 2k74 h LEU 147 Ca 0.76 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 58.48 2k74 h LEU 147 Cb 2.18 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 41.97 2k74 h LEU 147 CO -0.45 0.44 0.12 1.23 -0.62 0.00 0.00 178.44 179.16 2k74 h GLY 148 N 0.69 0.32 2.00 3.75 0.00 0.66 -1.60 103.07 108.90 2k74 h GLY 148 Ca 0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2k74 h GLY 148 CO -0.02 0.14 -0.35 -2.22 0.00 0.00 0.00 176.54 174.09 2k74 h ILE 149 N 0.24 0.81 -0.49 2.60 5.03 -0.90 -3.01 117.51 121.79 2k74 h ILE 149 Ca 0.08 -1.49 -0.05 0.00 -0.12 0.00 0.00 64.86 63.28 2k74 h ILE 149 Cb 0.07 1.93 -0.02 0.00 -3.03 0.00 0.00 36.82 35.77 2k74 h ILE 149 CO -0.01 0.35 0.10 0.15 -0.68 0.00 0.00 178.15 178.05 2k74 h PHE 150 N 0.00 0.83 -0.33 1.37 3.04 0.29 -2.17 116.94 119.98 2k74 h PHE 150 Ca -0.00 -0.11 -0.12 0.00 3.98 0.00 0.00 57.97 61.72 2k74 h PHE 150 Cb 0.90 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 2k74 h PHE 150 CO 0.00 0.76 -0.28 0.97 -2.02 0.00 0.00 178.31 177.73 2k74 h ILE 151 N 0.67 1.28 -0.04 1.41 6.09 -1.23 -2.58 117.51 123.10 2k74 h ILE 151 Ca 0.15 -1.40 0.01 0.00 -1.37 0.00 0.00 64.86 62.25 2k74 h ILE 151 Cb 0.36 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 2k74 h ILE 151 CO 0.00 0.46 -0.02 0.00 -3.07 0.00 0.00 178.15 175.52 2k74 h ALA 152 N 1.10 0.02 -0.46 0.18 0.00 -1.38 -1.84 119.26 116.88 2k74 h ALA 152 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2k74 h ALA 152 Cb 0.78 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2k74 h ALA 152 CO 0.06 -0.50 0.31 1.88 0.00 0.00 0.00 179.25 181.00 2k74 h TYR 153 N -0.01 0.46 -0.04 0.00 -1.99 -1.30 -0.47 116.97 113.63 2k74 h TYR 153 Ca 0.02 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 2k74 h TYR 153 Cb 0.05 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 2k74 h TYR 153 CO -0.12 0.27 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.04 2k74 h LEU 154 N 0.48 0.05 0.10 3.88 4.07 -0.94 -2.77 115.31 120.18 2k74 h LEU 154 Ca 0.19 -0.01 -0.28 0.00 0.08 0.00 0.00 57.88 57.86 2k74 h LEU 154 Cb 0.15 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2k74 h LEU 154 CO -0.05 0.27 -1.36 0.40 -1.08 0.00 0.00 178.44 176.62 2k74 h ILE 155 N 0.05 1.35 -0.95 1.22 2.04 -0.63 -2.82 117.51 117.76 2k74 h ILE 155 Ca 0.01 -2.98 0.00 0.00 1.00 0.00 0.00 64.86 62.89 2k74 h ILE 155 Cb 0.40 2.82 -0.05 0.00 -0.74 0.00 0.00 36.82 39.25 2k74 h ILE 155 CO 0.03 0.85 0.60 0.58 0.00 0.00 0.00 178.15 180.21 2k74 h VAL 156 N 0.06 1.25 0.01 1.67 2.07 -1.08 -0.24 116.25 119.99 2k74 h VAL 156 Ca -0.17 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2k74 h VAL 156 Cb 1.96 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2k74 h VAL 156 CO 0.17 0.26 -0.01 0.00 0.02 0.00 0.00 177.57 178.01 2k74 h ALA 157 N 1.33 -0.01 -0.30 1.67 0.00 -1.62 -2.40 119.26 117.92 2k74 h ALA 157 Ca 0.34 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2k74 h ALA 157 Cb -0.10 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2k74 h ALA 157 CO -0.07 -0.10 -0.11 0.28 0.00 0.00 0.00 179.25 179.25 2k74 h VAL 158 N -0.84 0.62 -0.07 0.00 2.07 -1.42 0.13 116.25 116.74 2k74 h VAL 158 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2k74 h VAL 158 Cb 0.79 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2k74 h VAL 158 CO 0.00 0.00 -0.29 0.25 0.02 0.00 0.00 177.57 177.55 2k74 h LEU 159 N -0.05 0.12 -0.97 2.57 6.46 -1.16 -2.05 115.31 120.23 2k74 h LEU 159 Ca 0.15 -0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.77 2k74 h LEU 159 Cb 0.29 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2k74 h LEU 159 CO -0.34 0.42 -0.48 0.58 -0.62 0.00 0.00 178.44 178.00 2k74 h VAL 160 N 0.11 1.22 0.01 1.05 2.07 -0.64 -1.10 116.25 118.97 2k74 h VAL 160 Ca 0.02 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 2k74 h VAL 160 Cb 0.58 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2k74 h VAL 160 CO 0.04 0.47 -0.08 0.58 0.02 0.00 0.00 177.57 178.60 2k74 h VAL 161 N 0.00 1.74 0.00 2.57 2.07 -0.62 -3.24 116.25 118.77 2k74 h VAL 161 Ca -0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 2k74 h VAL 161 Cb 0.91 3.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.97 2k74 h VAL 161 CO 0.06 0.60 0.00 -0.38 0.02 0.00 0.00 177.57 177.87 2k74 n ILE 162 N -4.58 1.05 0.32 4.57 2.08 -0.81 -2.21 119.36 119.78 2k74 n ILE 162 Ca -0.10 0.28 0.10 0.00 0.56 0.00 0.00 62.75 63.59 2k74 n ILE 162 Cb 0.50 -1.09 0.47 0.00 -0.75 0.00 0.00 39.64 38.77 2k74 n ILE 162 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2k74 n SER 163 N -1.68 0.53 -3.25 4.38 7.64 -0.42 -3.71 113.62 117.12 2k74 n SER 163 Ca 0.03 0.67 -0.24 0.00 1.01 0.00 0.00 58.87 60.33 2k74 n SER 163 Cb 0.17 -0.77 -0.08 0.00 -1.01 0.00 0.00 64.21 62.52 2k74 n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k74 n GLN 164 N -2.13 0.47 0.00 1.43 1.13 -0.94 -4.96 117.38 112.39 2k74 n GLN 164 Ca 0.01 -3.11 0.00 0.00 -1.94 0.00 0.00 57.00 51.97 2k74 n GLN 164 Cb 0.16 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2k74 n GLN 164 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 2k74 n PRO 165 N 2.10 0.00 -3.84 -1.09 -0.02 -1.24 -4.67 135.00 126.24 2k74 n PRO 165 Ca 0.24 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.91 2k74 n PRO 165 Cb 0.51 -1.60 0.02 0.00 -0.02 0.00 0.00 33.50 32.41 2k74 n PRO 165 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2k74 s PHE 166 N -2.41 0.12 -0.09 6.00 -0.12 -1.26 -5.15 117.98 115.06 2k74 s PHE 166 Ca 0.00 -0.70 -0.04 0.00 -0.05 0.00 0.00 56.93 56.15 2k74 s PHE 166 Cb 0.00 0.79 0.05 0.00 -0.63 0.00 0.00 43.02 43.23 2k74 s PHE 166 CO 0.00 -1.34 0.19 -1.59 -0.05 0.00 0.00 175.22 172.43 2k74 s LYS 167 N -2.18 0.08 -0.47 1.99 0.00 -1.26 -5.09 119.74 112.81 2k74 s LYS 167 Ca 0.18 0.58 -0.28 0.00 0.00 0.00 0.00 55.97 56.45 2k74 s LYS 167 Cb -0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 37.83 37.52 2k74 s LYS 167 CO 0.09 -0.27 2.39 0.00 0.00 0.00 0.00 175.35 177.56 2k74 n ALA 168 N 5.07 0.96 -1.80 0.59 0.00 -1.26 -4.84 120.51 119.23 2k74 n ALA 168 Ca -0.10 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.28 2k74 n ALA 168 Cb 0.50 -3.02 -0.03 0.00 0.00 0.00 0.00 19.45 16.90 2k74 n ALA 168 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k74 s LYS 169 N 7.83 2.37 0.11 0.00 1.02 -1.26 -4.89 119.74 124.91 2k74 s LYS 169 Ca 1.03 1.02 -0.36 0.00 0.02 0.00 0.00 55.97 57.68 2k74 s LYS 169 Cb -0.35 -4.48 -0.17 0.00 -0.52 0.00 0.00 37.83 32.30 2k74 s LYS 169 CO 0.32 -3.00 1.21 1.63 -0.92 0.00 0.00 175.35 174.59 2k74 n LYS 170 N 9.09 0.95 -0.47 1.68 5.02 -1.26 -4.81 118.16 128.36 2k74 n LYS 170 Ca 0.28 0.34 -0.08 0.00 -2.02 0.00 0.00 58.31 56.83 2k74 n LYS 170 Cb 0.53 -1.89 0.05 0.00 -0.02 0.00 0.00 35.03 33.70 2k74 n LYS 170 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2k74 n ARG 171 N 2.07 1.43 0.00 1.97 0.00 -1.26 -4.46 116.66 116.41 2k74 n ARG 171 Ca 0.17 -1.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.03 2k74 n ARG 171 Cb 0.19 -1.39 0.00 0.00 -0.00 0.00 0.00 32.46 31.26 2k74 n ARG 171 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2k74 n ASP 172 N 0.11 0.00 -1.19 2.89 -0.08 -1.26 -5.02 116.55 111.99 2k74 n ASP 172 Ca 0.20 0.60 0.13 0.00 -1.51 0.00 0.00 54.79 54.21 2k74 n ASP 172 Cb 0.82 -0.34 -0.06 0.00 2.34 0.00 0.00 41.12 43.88 2k74 n ASP 172 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k74 n LEU 173 N -1.53 -0.68 -4.61 -2.67 4.32 -1.26 -4.44 117.00 106.12 2k74 n LEU 173 Ca 0.00 1.58 -0.43 0.00 -0.02 0.00 0.00 56.01 57.14 2k74 n LEU 173 Cb 0.00 -3.33 -0.03 0.00 -1.62 0.00 0.00 43.42 38.44 2k74 n LEU 173 CO 0.00 -1.91 1.80 0.72 -1.22 0.00 0.00 177.39 176.77 2k74 s PHE 174 N -3.77 1.19 0.00 -1.77 -0.71 -1.26 -4.83 117.98 106.83 2k74 s PHE 174 Ca 0.00 0.34 0.00 0.00 -1.04 0.00 0.00 56.93 56.23 2k74 s PHE 174 Cb 0.00 -3.99 0.00 0.00 -1.21 0.00 0.00 43.02 37.82 2k74 s PHE 174 CO 0.00 -4.38 0.00 0.41 -1.34 0.00 0.00 175.22 169.91 2k74 n GLY 175 N 5.51 1.90 3.89 1.99 0.00 -1.26 -5.02 105.19 112.20 2k74 n GLY 175 Ca 0.28 0.40 -0.33 0.00 0.00 0.00 0.00 46.02 46.37 2k74 n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k74 n ARG 176 N 0.00 -1.62 0.00 1.61 3.00 -1.26 -4.86 116.66 113.53 2k74 n ARG 176 Ca 0.00 0.34 0.12 0.00 -0.01 0.00 0.00 57.85 58.30 2k74 n ARG 176 Cb 0.00 -3.88 0.14 0.00 0.00 0.00 0.00 32.46 28.72 2k74 n ARG 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k74 n GLY 177 N -1.92 0.60 3.25 -0.13 0.00 -1.26 -4.95 105.19 100.78 2k74 n GLY 177 Ca -0.18 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 2k74 n GLY 177 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k74 s HIS 178 N -2.13 -0.04 0.00 1.61 5.65 -1.26 -5.11 115.29 114.01 2k74 s HIS 178 Ca 0.27 -0.23 0.00 0.00 0.25 0.00 0.00 55.06 55.34 2k74 s HIS 178 Cb 0.20 0.08 0.00 0.00 -1.18 0.00 0.00 32.58 31.68 2k74 s HIS 178 CO 0.37 -0.56 0.31 0.72 -0.65 0.00 0.00 174.74 174.93 2k74 n HIS 179 N 0.19 0.00 -3.65 3.88 -0.00 -1.26 -5.03 115.22 109.36 2k74 n HIS 179 Ca -0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.52 2k74 n HIS 179 Cb 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.54 2k74 n HIS 179 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k74 s HIS 180 N -0.61 -0.09 0.00 4.41 -3.43 -1.26 -5.13 115.29 109.18 2k74 s HIS 180 Ca 0.00 0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 2k74 s HIS 180 Cb 0.00 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 2k74 s HIS 180 CO 0.00 -0.05 0.00 0.72 -2.00 0.00 0.00 174.74 173.41 2k74 n HIS 181 N 1.53 0.00 -1.70 0.38 8.25 -1.26 -4.80 115.22 117.62 2k74 n HIS 181 Ca -0.10 0.00 -0.55 0.00 -0.26 0.00 0.00 57.72 56.82 2k74 n HIS 181 Cb 0.57 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.62 2k74 n HIS 181 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k74 n HIS 182 N 0.00 2.10 -0.65 4.41 8.25 -1.26 -5.32 115.22 122.74 2k74 n HIS 182 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 2k74 n HIS 182 Cb 0.00 -2.50 0.00 0.00 1.12 0.00 0.00 29.99 28.61 2k74 n HIS 182 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56