#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 -0.62 -1.36 4.03 6.46 -2.06 -1.71 115.31 120.05 2k74 h LEU 2 Ca 0.00 -0.00 0.32 0.00 -0.12 0.00 0.00 57.88 58.07 2k74 h LEU 2 Cb 0.00 0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 39.98 2k74 h LEU 2 CO 0.00 -0.40 0.72 -0.09 -0.62 0.00 0.00 178.44 178.04 2k74 h ARG 3 N -0.79 0.29 -0.35 1.25 2.43 -2.01 0.61 114.38 115.81 2k74 h ARG 3 Ca -0.07 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.91 2k74 h ARG 3 Cb 0.59 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2k74 h ARG 3 CO 0.12 0.19 -0.43 0.74 -1.51 0.00 0.00 179.97 179.09 2k74 h PHE 4 N 0.30 1.10 -0.79 2.20 0.04 -1.88 -3.08 116.94 114.84 2k74 h PHE 4 Ca 0.67 -0.35 0.16 0.00 2.80 0.00 0.00 57.97 61.25 2k74 h PHE 4 Cb 1.82 -0.23 -0.10 0.00 2.20 0.00 0.00 35.95 39.64 2k74 h PHE 4 CO -0.00 1.17 0.30 1.25 -0.60 0.00 0.00 178.31 180.43 2k74 h LEU 5 N 0.73 0.25 -1.59 1.54 6.46 0.11 0.84 115.31 123.65 2k74 h LEU 5 Ca 0.05 0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 2k74 h LEU 5 Cb 1.02 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 2k74 h LEU 5 CO 0.10 0.06 -0.20 0.78 -0.62 0.00 0.00 178.44 178.57 2k74 h ASN 6 N 0.41 0.00 0.06 1.25 2.35 -1.43 -1.85 115.58 116.37 2k74 h ASN 6 Ca 0.45 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.10 2k74 h ASN 6 Cb 0.73 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.11 2k74 h ASN 6 CO -0.45 0.20 -0.43 -0.61 -1.65 0.00 0.00 177.43 174.49 2k74 h GLN 7 N 0.00 0.19 -0.30 0.81 5.75 0.56 -2.50 115.11 119.63 2k74 h GLN 7 Ca -0.00 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.17 2k74 h GLN 7 Cb 0.49 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 2k74 h GLN 7 CO 0.03 1.09 -0.01 0.00 -2.65 0.00 0.00 178.83 177.28 2k74 h ALA 8 N 0.12 1.44 0.01 3.38 0.00 -0.27 -2.51 119.26 121.42 2k74 h ALA 8 Ca -0.07 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 2k74 h ALA 8 Cb 1.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2k74 h ALA 8 CO 0.08 0.40 -0.88 0.77 0.00 0.00 0.00 179.25 179.62 2k74 h SER 9 N 0.44 0.15 0.00 0.00 0.02 -1.43 -2.99 113.55 109.74 2k74 h SER 9 Ca 0.10 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k74 h SER 9 Cb 0.30 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k74 h SER 9 CO 0.01 0.95 0.00 1.67 -1.14 0.00 0.00 176.83 178.32 2k74 n GLN 10 N -3.60 0.76 -3.95 3.45 -0.06 -0.94 -4.54 117.38 108.50 2k74 n GLN 10 Ca -0.02 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.64 2k74 n GLN 10 Cb 0.82 -1.12 -0.05 0.00 -4.06 0.00 0.00 30.24 25.83 2k74 n GLN 10 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2k74 s GLY 11 N -1.42 2.13 0.58 1.69 0.00 -1.13 -4.98 107.32 104.19 2k74 s GLY 11 Ca 0.08 -0.78 0.36 0.00 0.00 0.00 0.00 44.72 44.38 2k74 s GLY 11 CO 0.06 -0.66 2.10 3.21 0.00 0.00 0.00 173.10 177.81 2k74 h ARG 12 N 3.96 0.00 -0.15 2.90 3.08 -1.87 -2.87 114.38 119.43 2k74 h ARG 12 Ca -0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 2k74 h ARG 12 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 2k74 h ARG 12 CO 0.67 0.01 -0.10 0.78 -1.07 0.00 0.00 179.97 180.25 2k74 h GLY 13 N 1.40 0.36 0.87 0.04 0.00 -1.93 -1.45 103.07 102.36 2k74 h GLY 13 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2k74 h GLY 13 CO 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 176.54 176.79 2k74 h ALA 14 N 0.64 -0.17 -0.51 3.60 0.00 -1.67 0.34 119.26 121.49 2k74 h ALA 14 Ca 0.03 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.91 2k74 h ALA 14 Cb 0.60 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 2k74 h ALA 14 CO 0.03 -0.53 0.22 -1.49 0.00 0.00 0.00 179.25 177.47 2k74 h TRP 15 N -0.30 0.39 -0.13 0.00 4.06 -1.59 -0.22 115.95 118.16 2k74 h TRP 15 Ca -0.02 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 2k74 h TRP 15 Cb 0.24 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 2k74 h TRP 15 CO -0.03 0.16 -0.08 1.25 -3.56 0.00 0.00 178.44 176.18 2k74 h LEU 16 N 0.42 0.18 -0.89 -4.49 5.85 -1.09 -2.02 115.31 113.29 2k74 h LEU 16 Ca 0.24 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 2k74 h LEU 16 Cb 0.21 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2k74 h LEU 16 CO -0.21 0.29 -0.45 0.25 -0.34 0.00 0.00 178.44 177.98 2k74 h LEU 17 N 0.20 0.25 -0.73 2.25 7.12 0.80 -2.72 115.31 122.47 2k74 h LEU 17 Ca 0.04 -0.11 -0.13 0.00 0.13 0.00 0.00 57.88 57.81 2k74 h LEU 17 Cb 0.27 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.32 2k74 h LEU 17 CO 0.01 0.67 -0.45 0.24 -0.13 0.00 0.00 178.44 178.79 2k74 h MET 18 N 0.19 0.43 0.06 1.25 2.86 -0.53 -2.99 114.93 116.21 2k74 h MET 18 Ca 0.01 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2k74 h MET 18 Cb 0.87 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2k74 h MET 18 CO 0.07 0.80 -0.03 0.00 1.06 0.00 0.00 176.91 178.81 2k74 h ALA 19 N 1.17 -0.08 -0.43 6.32 0.00 -1.30 -2.82 119.26 122.12 2k74 h ALA 19 Ca 0.02 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.84 2k74 h ALA 19 Cb 0.93 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 2k74 h ALA 19 CO 0.08 -0.36 -0.17 0.74 0.00 0.00 0.00 179.25 179.54 2k74 h PHE 20 N -0.43 -0.40 0.03 0.00 -1.00 -1.49 -0.90 116.94 112.75 2k74 h PHE 20 Ca -0.01 0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.84 2k74 h PHE 20 Cb 0.39 0.24 -0.05 0.00 3.61 0.00 0.00 35.95 40.14 2k74 h PHE 20 CO 0.04 -0.25 -0.38 1.15 -1.61 0.00 0.00 178.31 177.26 2k74 h THR 21 N -0.07 0.21 -0.73 -1.55 2.02 -1.53 0.65 112.91 111.90 2k74 h THR 21 Ca 0.21 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.59 2k74 h THR 21 Cb 0.40 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2k74 h THR 21 CO -0.49 0.00 0.52 0.00 0.37 0.00 0.00 175.52 175.92 2k74 h ALA 22 N 0.03 2.53 0.23 6.16 0.00 -1.12 -0.78 119.26 126.30 2k74 h ALA 22 Ca 0.05 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 2k74 h ALA 22 Cb 0.63 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.48 2k74 h ALA 22 CO -0.28 -0.74 -1.41 1.25 0.00 0.00 0.00 179.25 178.07 2k74 h LEU 23 N 0.11 0.75 -0.85 0.00 5.85 0.35 -3.29 115.31 118.22 2k74 h LEU 23 Ca 0.36 -0.93 0.22 0.00 0.84 0.00 0.00 57.88 58.37 2k74 h LEU 23 Cb 1.25 -0.24 -0.13 0.00 0.37 0.00 0.00 40.66 41.90 2k74 h LEU 23 CO -0.04 1.67 0.24 0.00 -0.34 0.00 0.00 178.44 179.97 2k74 h ALA 24 N 0.13 1.23 0.00 1.25 0.00 0.17 1.08 119.26 123.12 2k74 h ALA 24 Ca -0.25 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2k74 h ALA 24 Cb 2.07 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 20.14 2k74 h ALA 24 CO 0.24 -0.43 -0.22 -0.07 0.00 0.00 0.00 179.25 178.77 2k74 h LEU 25 N 0.24 0.00 -0.41 0.00 4.07 -1.62 -1.48 115.31 116.12 2k74 h LEU 25 Ca 0.53 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.32 2k74 h LEU 25 Cb 1.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 2k74 h LEU 25 CO -0.62 0.22 -0.42 -0.08 -1.08 0.00 0.00 178.44 176.47 2k74 h GLU 26 N 0.00 0.89 0.03 1.13 4.81 0.11 -2.67 114.58 118.88 2k74 h GLU 26 Ca -0.00 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 2k74 h GLU 26 Cb 0.58 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.99 2k74 h GLU 26 CO 0.03 1.13 -0.34 -0.07 -0.73 0.00 0.00 179.01 179.03 2k74 h LEU 27 N 0.72 0.24 -0.70 1.64 3.38 -1.11 -2.61 115.31 116.86 2k74 h LEU 27 Ca 0.05 -0.88 0.14 0.00 0.09 0.00 0.00 57.88 57.29 2k74 h LEU 27 Cb 1.01 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 2k74 h LEU 27 CO 0.10 1.09 0.17 0.74 0.09 0.00 0.00 178.44 180.63 2k74 h THR 28 N -0.59 0.57 -0.06 0.22 2.02 -1.34 -0.05 112.91 113.67 2k74 h THR 28 Ca -0.05 -0.10 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 2k74 h THR 28 Cb 1.17 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2k74 h THR 28 CO 0.06 0.05 -0.65 0.00 0.37 0.00 0.00 175.52 175.36 2k74 h ALA 29 N 1.57 0.79 0.00 6.16 0.00 -1.57 -2.91 119.26 123.29 2k74 h ALA 29 Ca 0.38 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k74 h ALA 29 Cb 0.63 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k74 h ALA 29 CO -0.47 0.75 -0.01 1.25 0.00 0.00 0.00 179.25 180.77 2k74 h LEU 30 N 0.18 0.00 0.00 0.00 5.85 -0.62 -0.68 115.31 120.05 2k74 h LEU 30 Ca -0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2k74 h LEU 30 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2k74 h LEU 30 CO 0.10 0.01 -1.16 1.87 -0.34 0.00 0.00 178.44 178.92 2k74 n TRP 31 N -3.21 0.98 -0.04 1.25 -0.00 -0.84 -3.99 117.44 111.59 2k74 n TRP 31 Ca -0.02 0.30 -0.13 0.00 -0.00 0.00 0.00 57.50 57.65 2k74 n TRP 31 Cb 0.14 -1.01 -0.00 0.00 -0.00 0.00 0.00 31.31 30.44 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 0.92 0.00 5.87 -1.00 -1.05 0.56 116.94 122.24 2k74 h PHE 32 Ca -0.06 -0.33 0.00 0.00 2.81 0.00 0.00 57.97 60.38 2k74 h PHE 32 Cb 1.22 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.61 2k74 h PHE 32 CO 0.00 1.12 0.00 0.00 -1.61 0.00 0.00 178.31 177.82 2k74 n GLN 33 N -3.97 0.81 0.00 1.51 -0.00 -1.05 -2.20 117.38 112.48 2k74 n GLN 33 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.96 2k74 n GLN 33 Cb 0.63 -1.48 0.00 0.00 -0.00 0.00 0.00 30.24 29.39 2k74 n GLN 33 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2k74 n HIS 34 N -0.98 0.00 -0.11 2.61 -0.00 -1.05 -3.79 115.22 111.90 2k74 n HIS 34 Ca 0.19 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.30 2k74 n HIS 34 Cb 0.09 0.02 0.11 0.00 -0.12 0.00 0.00 29.99 30.09 2k74 n HIS 34 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 2k74 h VAL 35 N 0.00 1.26 -0.35 3.57 3.04 0.01 -2.97 116.25 120.81 2k74 h VAL 35 Ca 0.00 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.52 2k74 h VAL 35 Cb 0.96 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 2k74 h VAL 35 CO 0.00 0.40 0.00 0.80 -1.01 0.00 0.00 177.57 177.76 2k74 n MET 36 N -4.16 2.96 -3.92 4.17 0.00 -0.93 -4.96 117.12 110.28 2k74 n MET 36 Ca 0.02 -2.38 -0.31 0.00 -0.00 0.00 0.00 57.70 55.03 2k74 n MET 36 Cb 0.36 -1.51 -0.05 0.00 0.00 0.00 0.00 33.22 32.03 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 0.26 -0.90 -4.79 -0.89 4.32 -1.13 -4.86 117.00 109.02 2k74 n LEU 37 Ca 0.16 -0.74 -0.35 0.00 -0.02 0.00 0.00 56.01 55.06 2k74 n LEU 37 Cb 0.62 -1.63 -0.02 0.00 -1.62 0.00 0.00 43.42 40.77 2k74 n LEU 37 CO 0.12 0.12 0.75 -0.76 -1.22 0.00 0.00 177.39 176.39 2k74 s LEU 38 N -6.69 3.82 -0.18 2.23 1.43 -1.19 -4.94 118.68 113.16 2k74 s LEU 38 Ca 0.60 2.06 -0.04 0.00 -1.03 0.00 0.00 54.13 55.72 2k74 s LEU 38 Cb -0.34 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.32 2k74 s LEU 38 CO 0.73 -0.96 -0.04 -0.54 0.23 0.00 0.00 176.35 175.77 2k74 s LYS 39 N -3.20 3.54 0.36 1.70 1.02 -1.26 -4.54 119.74 117.36 2k74 s LYS 39 Ca 0.69 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.87 2k74 s LYS 39 Cb -0.20 -2.95 -0.10 0.00 -0.52 0.00 0.00 37.83 34.06 2k74 s LYS 39 CO 0.24 0.05 0.96 -1.25 -0.92 0.00 0.00 175.35 174.44 2k74 s PRO 40 N 0.84 4.43 0.30 -1.68 0.04 -1.25 -4.81 135.00 132.87 2k74 s PRO 40 Ca -0.01 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.39 2k74 s PRO 40 Cb -0.15 -2.61 0.05 0.00 0.04 0.00 0.00 34.50 31.83 2k74 s PRO 40 CO 0.02 0.13 0.39 0.00 0.04 0.00 0.00 177.00 177.58 2k74 h VAL 42 N 0.11 1.21 -0.28 0.00 2.07 -1.90 -2.79 116.25 114.68 2k74 h VAL 42 Ca -0.14 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 2k74 h VAL 42 Cb 0.64 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2k74 h VAL 42 CO 0.21 0.22 0.16 -0.07 0.02 0.00 0.00 177.57 178.12 2k74 h LEU 43 N 0.19 0.34 -0.75 2.57 4.07 -1.95 -2.10 115.31 117.68 2k74 h LEU 43 Ca 0.07 -0.06 0.14 0.00 0.08 0.00 0.00 57.88 58.11 2k74 h LEU 43 Cb 0.29 -0.09 -0.09 0.00 1.08 0.00 0.00 40.66 41.85 2k74 h LEU 43 CO 0.00 0.30 0.29 0.28 -1.08 0.00 0.00 178.44 178.23 2k74 h SER 44 N 0.35 0.26 -0.17 -0.43 0.02 -1.94 0.89 113.55 112.54 2k74 h SER 44 Ca 0.10 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2k74 h SER 44 Cb 0.03 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2k74 h SER 44 CO -0.02 0.10 0.10 0.40 -1.14 0.00 0.00 176.83 176.27 2k74 h ILE 45 N 0.43 1.10 -0.64 3.27 2.04 -1.20 0.28 117.51 122.80 2k74 h ILE 45 Ca 0.41 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 66.10 2k74 h ILE 45 Cb 0.62 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2k74 h ILE 45 CO -0.40 0.09 0.28 0.22 0.00 0.00 0.00 178.15 178.34 2k74 h TYR 46 N 0.18 0.51 -0.12 1.37 5.03 -0.45 0.43 116.97 123.92 2k74 h TYR 46 Ca 0.06 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 2k74 h TYR 46 Cb 0.06 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.20 2k74 h TYR 46 CO -0.04 0.17 0.01 0.93 -1.32 0.00 0.00 178.16 177.91 2k74 h GLU 47 N 0.50 0.20 -0.83 1.82 4.39 -0.44 -1.71 114.58 118.52 2k74 h GLU 47 Ca 0.31 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.96 2k74 h GLU 47 Cb 0.34 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 2k74 h GLU 47 CO -0.27 0.41 0.55 -0.09 -1.16 0.00 0.00 179.01 178.45 2k74 h ARG 48 N -0.04 1.09 -0.59 2.33 2.43 0.25 -2.07 114.38 117.78 2k74 h ARG 48 Ca 0.04 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 2k74 h ARG 48 Cb 0.31 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2k74 h ARG 48 CO 0.00 0.72 0.02 0.00 -1.51 0.00 0.00 179.97 179.21 2k74 h ALA 49 N 1.48 0.92 -0.46 2.80 0.00 0.00 0.10 119.26 124.10 2k74 h ALA 49 Ca 0.30 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2k74 h ALA 49 Cb -0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 2k74 h ALA 49 CO -0.06 0.65 0.15 0.00 0.00 0.00 0.00 179.25 179.98 2k74 h ALA 50 N 1.08 0.55 -0.03 0.00 0.00 -0.59 0.83 119.26 121.09 2k74 h ALA 50 Ca 0.17 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2k74 h ALA 50 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k74 h ALA 50 CO 0.02 -0.24 -0.13 -0.07 0.00 0.00 0.00 179.25 178.83 2k74 h LEU 51 N 0.31 0.15 -0.92 0.00 -0.00 -1.32 -2.27 115.31 111.26 2k74 h LEU 51 Ca 0.22 -0.66 0.24 0.00 -0.00 0.00 0.00 57.88 57.68 2k74 h LEU 51 Cb 0.24 -0.05 -0.13 0.00 -0.00 0.00 0.00 40.66 40.72 2k74 h LEU 51 CO -0.24 0.79 0.42 0.15 -0.00 0.00 0.00 178.44 179.56 2k74 h PHE 52 N -0.47 0.69 -0.25 1.13 3.57 -0.52 0.89 116.94 121.97 2k74 h PHE 52 Ca -0.01 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2k74 h PHE 52 Cb 0.79 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2k74 h PHE 52 CO 0.15 -0.08 -0.03 0.78 -2.23 0.00 0.00 178.31 176.90 2k74 h GLY 53 N 0.38 0.50 0.95 2.40 0.00 -0.81 -2.89 103.07 103.60 2k74 h GLY 53 Ca 0.60 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 2k74 h GLY 53 CO -0.56 0.36 0.18 -2.08 0.00 0.00 0.00 176.54 174.44 2k74 h VAL 54 N 0.22 1.16 -0.82 4.60 2.07 0.07 -2.27 116.25 121.28 2k74 h VAL 54 Ca 0.07 -0.45 0.18 0.00 0.82 0.00 0.00 66.70 67.32 2k74 h VAL 54 Cb 0.47 0.79 -0.15 0.00 -1.52 0.00 0.00 31.29 30.88 2k74 h VAL 54 CO 0.02 0.17 -0.09 0.25 0.02 0.00 0.00 177.57 177.94 2k74 h LEU 55 N 0.45 -0.56 -0.96 2.57 5.85 0.68 1.27 115.31 124.61 2k74 h LEU 55 Ca 0.13 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 2k74 h LEU 55 Cb 0.11 0.44 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 2k74 h LEU 55 CO -0.02 -0.25 0.58 1.23 -0.34 0.00 0.00 178.44 179.64 2k74 h GLY 56 N 0.04 1.38 0.80 3.75 0.00 -1.24 -1.61 103.07 106.20 2k74 h GLY 56 Ca 0.43 -0.57 0.08 0.00 0.00 0.00 0.00 47.33 47.28 2k74 h GLY 56 CO -0.79 0.55 0.56 0.00 0.00 0.00 0.00 176.54 176.87 2k74 h ALA 57 N 1.32 1.62 -0.03 3.60 0.00 0.21 0.11 119.26 126.09 2k74 h ALA 57 Ca 0.34 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2k74 h ALA 57 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2k74 h ALA 57 CO -0.07 0.21 -0.40 0.00 0.00 0.00 0.00 179.25 179.00 2k74 h ALA 58 N 1.55 1.29 -0.19 0.00 0.00 -0.05 1.00 119.26 122.87 2k74 h ALA 58 Ca 0.39 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2k74 h ALA 58 Cb 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k74 h ALA 58 CO -0.16 0.52 -0.23 1.25 0.00 0.00 0.00 179.25 180.63 2k74 h LEU 59 N 0.05 0.53 -0.38 0.00 5.85 -0.45 -0.25 115.31 120.65 2k74 h LEU 59 Ca 0.00 -0.50 -0.19 0.00 0.84 0.00 0.00 57.88 58.04 2k74 h LEU 59 Cb 0.72 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 2k74 h LEU 59 CO 0.05 0.92 -0.74 0.40 -0.34 0.00 0.00 178.44 178.74 2k74 h ILE 60 N 0.15 1.37 -0.04 4.05 1.08 -1.14 -3.11 117.51 119.88 2k74 h ILE 60 Ca 0.03 -2.14 -0.12 0.00 -0.39 0.00 0.00 64.86 62.24 2k74 h ILE 60 Cb 0.79 2.11 -0.01 0.00 -3.07 0.00 0.00 36.82 36.63 2k74 h ILE 60 CO 0.05 0.64 -0.52 1.23 -0.69 0.00 0.00 178.15 178.87 2k74 h GLY 61 N 1.24 0.11 0.45 5.37 0.00 -0.80 -2.44 103.07 107.00 2k74 h GLY 61 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2k74 h GLY 61 CO 0.13 0.11 0.00 0.00 0.00 0.00 0.00 176.54 176.77 2k74 n ALA 62 N -2.45 2.25 0.08 3.60 0.00 -0.11 -3.07 120.51 120.80 2k74 n ALA 62 Ca -0.02 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 2k74 n ALA 62 Cb 0.54 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.69 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 1.40 0.00 0.00 2.04 -1.50 -3.46 117.51 115.99 2k74 h ILE 63 Ca 0.00 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.34 2k74 h ILE 63 Cb 0.00 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 2k74 h ILE 63 CO 0.00 0.74 0.00 0.00 0.00 0.00 0.00 178.15 178.89 2k74 n ALA 64 N -2.68 0.00 0.82 1.87 0.00 -1.18 -5.02 120.51 114.32 2k74 n ALA 64 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k74 n ALA 64 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 0.94 0.00 0.00 -0.04 -1.19 -3.15 135.00 131.56 2k74 n PRO 65 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2k74 n PRO 65 Cb 0.00 -1.03 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2k74 n PRO 65 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k74 n LYS 66 N 0.62 3.63 -3.78 0.54 0.00 -1.26 -4.80 118.16 113.12 2k74 n LYS 66 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 58.31 58.04 2k74 n LYS 66 Cb 0.47 -0.98 -0.01 0.00 0.00 0.00 0.00 35.03 34.51 2k74 n LYS 66 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2k74 s THR 67 N -1.93 1.94 -0.61 3.15 -4.23 -1.19 -4.95 115.64 107.82 2k74 s THR 67 Ca 0.04 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2k74 s THR 67 Cb 0.08 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2k74 s THR 67 CO 0.41 0.00 0.57 -2.65 -0.54 0.00 0.00 174.62 172.41 2k74 n PRO 68 N -1.72 0.00 0.02 3.99 -0.02 -1.26 -1.91 135.00 134.10 2k74 n PRO 68 Ca 0.01 0.16 0.22 0.00 -2.02 0.00 0.00 63.50 61.86 2k74 n PRO 68 Cb 0.64 -1.68 0.73 0.00 -0.02 0.00 0.00 33.50 33.16 2k74 n PRO 68 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k74 h LEU 69 N 0.00 0.00 0.00 2.45 3.38 -1.92 -3.01 115.31 116.21 2k74 h LEU 69 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k74 h LEU 69 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k74 h LEU 69 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.39 2k74 n ARG 70 N -4.06 0.00 -0.01 1.13 0.63 -0.80 0.65 116.66 114.19 2k74 n ARG 70 Ca 0.10 0.97 0.19 0.00 -0.92 0.00 0.00 57.85 58.19 2k74 n ARG 70 Cb 0.66 -1.49 0.66 0.00 0.45 0.00 0.00 32.46 32.75 2k74 n ARG 70 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2k74 h TYR 71 N 0.00 0.06 0.30 -0.14 0.05 -1.84 0.48 116.97 115.88 2k74 h TYR 71 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2k74 h TYR 71 Cb 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2k74 h TYR 71 CO -0.87 0.02 -0.14 0.28 -1.05 0.00 0.00 178.16 176.40 2k74 h VAL 72 N 0.05 0.71 -0.14 -2.88 2.07 0.16 -2.21 116.25 114.01 2k74 h VAL 72 Ca 0.25 -0.61 -0.19 0.00 0.82 0.00 0.00 66.70 66.97 2k74 h VAL 72 Cb 0.94 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2k74 h VAL 72 CO -0.02 0.12 -0.64 0.00 0.02 0.00 0.00 177.57 177.05 2k74 h ALA 73 N -0.20 0.26 0.00 1.67 0.00 0.65 -2.77 119.26 118.87 2k74 h ALA 73 Ca -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2k74 h ALA 73 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k74 h ALA 73 CO 0.07 0.54 0.03 -0.12 0.00 0.00 0.00 179.25 179.77 2k74 n MET 74 N -4.08 0.06 0.10 0.00 0.00 0.16 -0.98 117.12 112.39 2k74 n MET 74 Ca -0.08 0.55 0.03 0.00 0.00 0.00 0.00 57.70 58.21 2k74 n MET 74 Cb 0.67 -1.73 0.42 0.00 0.00 0.00 0.00 33.22 32.59 2k74 n MET 74 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2k74 h VAL 75 N 0.00 1.14 0.04 1.12 3.04 -1.09 0.18 116.25 120.68 2k74 h VAL 75 Ca 0.00 -0.54 -0.31 0.00 -1.01 0.00 0.00 66.70 64.84 2k74 h VAL 75 Cb 0.05 0.99 -0.04 0.00 -2.01 0.00 0.00 31.29 30.29 2k74 h VAL 75 CO 0.00 0.18 -1.74 0.40 -1.01 0.00 0.00 177.57 175.40 2k74 h ILE 76 N 0.30 0.85 -0.07 3.17 2.04 -1.25 -2.90 117.51 119.65 2k74 h ILE 76 Ca 0.07 -2.65 -0.01 0.00 1.00 0.00 0.00 64.86 63.27 2k74 h ILE 76 Cb 0.22 2.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2k74 h ILE 76 CO 0.01 0.64 0.00 -0.25 0.00 0.00 0.00 178.15 178.54 2k74 h TRP 77 N 0.02 0.14 -0.09 1.37 2.91 -1.37 -2.85 115.95 116.09 2k74 h TRP 77 Ca -0.30 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.68 2k74 h TRP 77 Cb 2.01 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 30.62 2k74 h TRP 77 CO 0.02 0.39 0.00 1.25 -1.03 0.00 0.00 178.44 179.08 2k74 h LEU 78 N -0.15 0.15 -0.97 0.65 5.85 -0.82 -2.01 115.31 118.01 2k74 h LEU 78 Ca 0.02 -0.29 0.32 0.00 0.84 0.00 0.00 57.88 58.77 2k74 h LEU 78 Cb 0.33 -0.04 -0.16 0.00 0.37 0.00 0.00 40.66 41.16 2k74 h LEU 78 CO 0.00 0.41 0.36 0.22 -0.34 0.00 0.00 178.44 179.09 2k74 h TYR 79 N -0.12 0.54 0.00 1.25 5.03 -1.51 2.29 116.97 124.46 2k74 h TYR 79 Ca 0.03 0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 2k74 h TYR 79 Cb 0.33 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.53 2k74 h TYR 79 CO 0.03 -0.34 -0.13 0.66 -1.32 0.00 0.00 178.16 177.06 2k74 h SER 80 N 0.12 0.00 0.85 -2.11 4.64 -1.29 -2.88 113.55 112.89 2k74 h SER 80 Ca 0.70 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.98 2k74 h SER 80 Cb 1.63 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.72 2k74 h SER 80 CO -0.74 0.13 -0.41 0.00 -0.87 0.00 0.00 176.83 174.94 2k74 h ALA 81 N 1.87 -1.30 -0.12 5.18 0.00 0.46 1.21 119.26 126.56 2k74 h ALA 81 Ca -0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2k74 h ALA 81 Cb 1.07 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2k74 h ALA 81 CO 0.02 -1.21 -0.25 0.35 0.00 0.00 0.00 179.25 178.15 2k74 h PHE 82 N -1.16 0.49 0.08 0.00 3.57 -1.61 -2.95 116.94 115.37 2k74 h PHE 82 Ca -0.12 -0.18 -0.24 0.00 3.53 0.00 0.00 57.97 60.96 2k74 h PHE 82 Cb 0.88 -0.09 0.02 0.00 2.79 0.00 0.00 35.95 39.55 2k74 h PHE 82 CO 0.03 0.87 -0.98 -0.09 -2.23 0.00 0.00 178.31 175.91 2k74 h ARG 83 N -0.03 0.52 -0.15 1.11 1.12 -1.59 -2.17 114.38 113.20 2k74 h ARG 83 Ca 0.00 -0.67 0.03 0.00 -1.11 0.00 0.00 59.98 58.23 2k74 h ARG 83 Cb 0.84 0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 31.00 2k74 h ARG 83 CO 0.06 1.28 -0.00 0.78 -3.11 0.00 0.00 179.97 178.97 2k74 h GLY 84 N 0.07 0.14 0.94 2.80 0.00 0.14 -0.84 103.07 106.32 2k74 h GLY 84 Ca -0.15 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 2k74 h GLY 84 CO 0.19 -0.03 -0.15 -0.39 0.00 0.00 0.00 176.54 176.16 2k74 h VAL 85 N 0.04 1.29 -0.43 4.60 -1.51 -1.51 -2.00 116.25 116.74 2k74 h VAL 85 Ca 0.07 -1.26 0.09 0.00 -1.23 0.00 0.00 66.70 64.38 2k74 h VAL 85 Cb 0.09 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.64 2k74 h VAL 85 CO -0.12 0.41 0.30 -0.61 -1.23 0.00 0.00 177.57 176.31 2k74 h GLN 86 N 0.45 0.15 0.05 5.19 4.15 -1.15 -1.50 115.11 122.45 2k74 h GLN 86 Ca 0.07 -0.01 -0.19 0.00 0.77 0.00 0.00 58.65 59.29 2k74 h GLN 86 Cb 0.68 -0.03 0.02 0.00 0.21 0.00 0.00 27.48 28.36 2k74 h GLN 86 CO 0.05 0.10 -0.78 1.25 -1.93 0.00 0.00 178.83 177.52 2k74 h LEU 87 N 0.16 0.59 -1.95 -2.39 7.12 -0.91 -3.17 115.31 114.76 2k74 h LEU 87 Ca 0.20 -0.81 0.15 0.00 0.13 0.00 0.00 57.88 57.54 2k74 h LEU 87 Cb 0.59 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 2k74 h LEU 87 CO -0.03 1.34 0.50 0.71 -0.13 0.00 0.00 178.44 180.83 2k74 h THR 88 N -0.08 0.41 0.00 1.05 1.35 -0.53 -0.13 112.91 114.99 2k74 h THR 88 Ca -0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2k74 h THR 88 Cb 1.51 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2k74 h THR 88 CO 0.15 0.00 -0.00 0.22 -0.25 0.00 0.00 175.52 175.64 2k74 h TYR 89 N 0.00 -0.00 -0.93 4.73 5.03 -1.43 -2.45 116.97 121.91 2k74 h TYR 89 Ca 0.24 -0.00 0.16 0.00 2.58 0.00 0.00 58.73 61.71 2k74 h TYR 89 Cb 1.24 0.00 -0.10 0.00 1.55 0.00 0.00 36.73 39.42 2k74 h TYR 89 CO 0.00 0.32 0.53 0.93 -1.32 0.00 0.00 178.16 178.62 2k74 h GLU 90 N -0.33 0.71 -0.09 1.82 5.08 -1.11 0.52 114.58 121.19 2k74 h GLU 90 Ca -0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2k74 h GLU 90 Cb 0.33 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k74 h GLU 90 CO 0.00 0.47 0.04 1.25 -1.00 0.00 0.00 179.01 179.77 2k74 h HIS 91 N 0.73 0.13 -0.06 4.33 2.76 -1.40 -1.89 115.15 119.75 2k74 h HIS 91 Ca 0.51 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.66 2k74 h HIS 91 Cb 0.72 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 2k74 h HIS 91 CO -0.05 0.20 -0.01 1.79 -1.30 0.00 0.00 177.93 178.57 2k74 h THR 92 N 0.02 1.27 -0.50 6.26 1.35 -0.74 -1.04 112.91 119.53 2k74 h THR 92 Ca 0.03 -0.84 0.10 0.00 -0.55 0.00 0.00 66.41 65.15 2k74 h THR 92 Cb 0.12 1.71 -0.10 0.00 -1.73 0.00 0.00 68.15 68.16 2k74 h THR 92 CO -0.00 0.23 -0.12 -0.03 -0.25 0.00 0.00 175.52 175.34 2k74 h MET 93 N -0.20 0.00 -0.17 4.72 -1.53 0.01 0.14 114.93 117.90 2k74 h MET 93 Ca 0.02 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.26 2k74 h MET 93 Cb 0.37 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 2k74 h MET 93 CO 0.00 0.00 0.03 1.25 0.14 0.00 0.00 176.91 178.34 2k74 h LEU 94 N 0.00 0.27 -1.22 3.39 5.85 -1.32 1.80 115.31 124.09 2k74 h LEU 94 Ca 0.24 -0.25 0.14 0.00 0.84 0.00 0.00 57.88 58.85 2k74 h LEU 94 Cb 0.37 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 2k74 h LEU 94 CO -0.52 0.45 0.59 -0.61 -0.34 0.00 0.00 178.44 178.02 2k74 h GLN 95 N 0.08 0.73 0.00 1.25 5.75 -0.25 0.16 115.11 122.83 2k74 h GLN 95 Ca 0.05 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2k74 h GLN 95 Cb 0.29 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2k74 h GLN 95 CO 0.00 0.48 -0.97 -0.11 -2.65 0.00 0.00 178.83 175.58 2k74 n LEU 96 N -4.58 0.80 -3.24 -2.39 7.94 0.42 -4.68 117.00 111.26 2k74 n LEU 96 Ca 0.18 -0.32 -0.21 0.00 -1.11 0.00 0.00 56.01 54.55 2k74 n LEU 96 Cb 0.46 -0.06 -0.07 0.00 0.53 0.00 0.00 43.42 44.28 2k74 n LEU 96 CO 0.28 0.19 -0.20 -0.47 -1.11 0.00 0.00 177.39 176.08 2k74 s TYR 97 N -3.05 0.31 0.13 1.96 5.04 0.61 -5.05 117.35 117.29 2k74 s TYR 97 Ca 0.07 -1.76 -0.28 0.00 -2.44 0.00 0.00 57.07 52.65 2k74 s TYR 97 Cb 0.16 -0.58 -0.06 0.00 0.35 0.00 0.00 41.96 41.83 2k74 s TYR 97 CO 0.83 -0.95 0.90 -1.25 -1.34 0.00 0.00 175.55 173.74 2k74 s PRO 98 N 0.40 4.67 0.12 4.97 0.04 -0.47 -4.05 135.00 140.67 2k74 s PRO 98 Ca 0.30 1.35 0.08 0.00 0.04 0.00 0.00 61.00 62.78 2k74 s PRO 98 Cb 0.00 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2k74 s PRO 98 CO -0.14 0.32 -0.21 0.45 0.04 0.00 0.00 177.00 177.46 2k74 s SER 99 N -0.33 2.62 -0.02 6.66 0.15 -1.26 -5.08 113.70 116.43 2k74 s SER 99 Ca 0.43 -0.73 -0.19 0.00 0.70 0.00 0.00 55.95 56.15 2k74 s SER 99 Cb -0.23 -0.15 -0.11 0.00 -1.71 0.00 0.00 66.02 63.82 2k74 s SER 99 CO 0.28 0.04 0.81 1.55 1.20 0.00 0.00 173.24 177.13 2k74 h PRO 100 N 3.86 -0.59 -5.72 5.44 0.13 -2.04 -3.42 132.00 129.66 2k74 h PRO 100 Ca -0.45 0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.19 2k74 h PRO 100 Cb 1.19 0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2k74 h PRO 100 CO 0.42 -0.35 1.58 0.34 -0.23 0.00 0.00 178.00 179.77 2k74 n PHE 101 N -5.19 1.55 -3.89 1.56 7.35 -1.26 -4.94 117.46 112.66 2k74 n PHE 101 Ca -0.08 0.08 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 2k74 n PHE 101 Cb 0.26 -2.64 -0.04 0.00 0.35 0.00 0.00 39.48 37.41 2k74 n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k74 s ALA 102 N 10.37 3.98 0.00 3.13 0.00 -1.26 -5.07 121.76 132.90 2k74 s ALA 102 Ca 1.03 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2k74 s ALA 102 Cb -0.36 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2k74 s ALA 102 CO 0.33 0.78 0.00 0.25 0.00 0.00 0.00 175.76 177.12 2k74 n THR 103 N 0.18 0.00 0.00 0.00 -2.24 -1.26 -4.92 114.28 106.04 2k74 n THR 103 Ca -0.05 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2k74 n THR 103 Cb 0.51 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2k74 n THR 103 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k74 n SER 104 N 0.00 0.00 -3.15 3.42 7.64 -1.26 -5.03 113.62 115.24 2k74 n SER 104 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2k74 n SER 104 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2k74 n SER 104 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k74 n ASP 105 N 0.00 8.22 0.32 6.43 8.00 -1.26 -4.60 116.55 133.66 2k74 n ASP 105 Ca 0.00 -2.64 0.20 0.00 0.71 0.00 0.00 54.79 53.06 2k74 n ASP 105 Cb 0.00 -1.51 1.08 0.00 -0.02 0.00 0.00 41.12 40.67 2k74 n ASP 105 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2k74 h PHE 106 N 4.67 0.00 -3.73 1.24 -1.00 -2.00 -3.43 116.94 112.68 2k74 h PHE 106 Ca 0.77 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.46 2k74 h PHE 106 Cb 0.44 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.87 2k74 h PHE 106 CO 1.84 0.00 -0.27 -1.64 -1.61 0.00 0.00 178.31 176.63 2k74 s MET 107 N -4.33 1.06 -0.78 1.51 -1.94 -1.26 -5.05 119.30 108.50 2k74 s MET 107 Ca -0.05 -1.00 -0.19 0.00 -1.71 0.00 0.00 55.69 52.74 2k74 s MET 107 Cb 0.14 0.39 -0.18 0.00 2.01 0.00 0.00 34.83 37.19 2k74 s MET 107 CO 0.46 -0.38 2.00 1.33 -0.01 0.00 0.00 175.02 178.42 2k74 n VAL 108 N -0.17 0.00 -2.74 -6.03 0.24 -1.26 -4.82 118.33 103.54 2k74 n VAL 108 Ca -0.12 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 2k74 n VAL 108 Cb 0.63 -1.29 -0.04 0.00 -1.47 0.00 0.00 33.84 31.68 2k74 n VAL 108 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2k74 s ARG 109 N 7.75 3.21 0.16 7.34 6.06 -1.26 -5.00 118.95 137.21 2k74 s ARG 109 Ca 0.78 -0.46 0.10 0.00 -2.50 0.00 0.00 55.73 53.65 2k74 s ARG 109 Cb -0.20 -4.16 -0.04 0.00 0.06 0.00 0.00 34.95 30.61 2k74 s ARG 109 CO 0.18 -1.83 -0.23 -0.06 -2.50 0.00 0.00 175.30 170.86 2k74 s PHE 110 N 4.59 2.11 0.82 5.12 0.40 -1.26 -5.12 117.98 124.65 2k74 s PHE 110 Ca 0.29 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 56.08 2k74 s PHE 110 Cb -0.13 -1.07 -0.12 0.00 0.51 0.00 0.00 43.02 42.21 2k74 s PHE 110 CO 0.15 0.39 -0.67 -2.30 0.70 0.00 0.00 175.22 173.49 2k74 n PRO 111 N 0.49 0.00 -0.19 0.24 -0.02 -1.26 -4.85 135.00 129.41 2k74 n PRO 111 Ca -0.15 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.44 2k74 n PRO 111 Cb 0.55 -0.82 0.27 0.00 -0.02 0.00 0.00 33.50 33.48 2k74 n PRO 111 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2k74 n GLU 112 N 2.06 2.20 -0.63 -0.52 0.00 -1.26 -3.98 120.64 118.50 2k74 n GLU 112 Ca -0.02 -1.83 0.06 0.00 0.00 0.00 0.00 57.16 55.38 2k74 n GLU 112 Cb 0.46 -1.45 0.15 0.00 0.00 0.00 0.00 31.44 30.60 2k74 n GLU 112 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.13 174.46 2k74 n TRP 113 N 1.02 0.00 -3.75 -1.84 4.27 -1.26 -4.88 117.44 110.99 2k74 n TRP 113 Ca 0.18 -1.12 -0.28 0.00 -3.89 0.00 0.00 57.50 52.39 2k74 n TRP 113 Cb 0.48 -0.20 -0.11 0.00 -1.36 0.00 0.00 31.31 30.12 2k74 n TRP 113 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2k74 n LEU 114 N -0.84 2.73 0.00 5.67 7.99 -1.26 -4.93 117.00 126.36 2k74 n LEU 114 Ca 0.15 -5.16 0.00 0.00 -0.01 0.00 0.00 56.01 50.99 2k74 n LEU 114 Cb 0.76 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2k74 n LEU 114 CO -0.03 1.83 0.26 -2.65 -1.51 0.00 0.00 177.39 175.29 2k74 n PRO 115 N 1.84 0.00 0.05 3.23 -0.02 -1.26 -2.04 135.00 136.80 2k74 n PRO 115 Ca 0.23 0.09 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 2k74 n PRO 115 Cb 0.38 -1.56 0.55 0.00 -0.02 0.00 0.00 33.50 32.85 2k74 n PRO 115 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2k74 h LEU 116 N 0.00 0.24 0.03 2.45 4.07 -1.95 1.29 115.31 121.44 2k74 h LEU 116 Ca 0.00 -0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.57 2k74 h LEU 116 Cb 0.12 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.75 2k74 h LEU 116 CO 0.00 0.16 -2.27 -0.67 -1.08 0.00 0.00 178.44 174.58 2k74 n ASP 117 N -4.48 2.00 -0.06 -0.43 -0.08 -0.87 -3.40 116.55 109.24 2k74 n ASP 117 Ca 0.05 0.09 -0.13 0.00 -1.51 0.00 0.00 54.79 53.29 2k74 n ASP 117 Cb 0.25 -0.65 -0.07 0.00 2.34 0.00 0.00 41.12 42.99 2k74 n ASP 117 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2k74 h LYS 118 N -0.28 0.42 0.00 -0.67 3.64 -1.66 -1.36 116.57 116.66 2k74 h LYS 118 Ca -0.55 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 2k74 h LYS 118 Cb 1.82 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 2k74 h LYS 118 CO -0.13 0.81 0.00 2.35 -2.27 0.00 0.00 179.45 180.21 2k74 h TRP 119 N 0.05 0.00 -2.05 1.91 2.91 0.14 -3.35 115.95 115.57 2k74 h TRP 119 Ca 0.02 0.00 -0.56 0.00 1.13 0.00 0.00 58.89 59.48 2k74 h TRP 119 Cb 0.75 0.00 -0.39 0.00 -0.51 0.00 0.00 29.16 29.01 2k74 h TRP 119 CO 0.09 0.00 -1.08 0.28 -1.03 0.00 0.00 178.44 176.70 2k74 n VAL 120 N -2.64 -0.79 0.42 2.65 0.31 -1.12 -4.93 118.33 112.23 2k74 n VAL 120 Ca 0.03 -3.88 0.12 0.00 -0.01 0.00 0.00 64.34 60.60 2k74 n VAL 120 Cb 0.35 -1.88 0.28 0.00 -0.91 0.00 0.00 33.84 31.68 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 4.29 0.00 -0.25 5.55 0.13 -1.39 -3.34 132.00 136.99 2k74 h PRO 121 Ca 0.10 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.30 2k74 h PRO 121 Cb 0.89 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.95 2k74 h PRO 121 CO 0.44 0.00 -0.21 0.37 -0.23 0.00 0.00 178.00 178.37 2k74 h GLN 122 N 0.00 -0.20 -1.95 0.86 4.15 -1.92 -0.96 115.11 115.09 2k74 h GLN 122 Ca 0.00 0.01 -0.69 0.00 0.77 0.00 0.00 58.65 58.74 2k74 h GLN 122 Cb 0.87 0.05 -0.34 0.00 0.21 0.00 0.00 27.48 28.26 2k74 h GLN 122 CO 0.00 -0.13 0.20 1.33 -1.93 0.00 0.00 178.83 178.29 2k74 n VAL 123 N -5.36 3.61 0.00 2.39 0.24 -1.25 -4.48 118.33 113.48 2k74 n VAL 123 Ca -0.01 -5.06 0.00 0.00 -2.04 0.00 0.00 64.34 57.24 2k74 n VAL 123 Cb 0.27 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 2k74 n VAL 123 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2k74 n PHE 124 N -0.38 -0.08 -1.67 6.34 3.72 -1.00 -5.00 117.46 119.39 2k74 n PHE 124 Ca 0.44 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.38 2k74 n PHE 124 Cb 0.40 0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.92 2k74 n PHE 124 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2k74 n VAL 125 N -1.54 0.07 -3.63 -4.37 3.14 -0.40 -4.91 118.33 106.70 2k74 n VAL 125 Ca 0.00 -0.01 -0.31 0.00 -2.96 0.00 0.00 64.34 61.06 2k74 n VAL 125 Cb 0.00 -1.62 -0.04 0.00 -1.06 0.00 0.00 33.84 31.12 2k74 n VAL 125 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2k74 s ALA 126 N 1.32 3.77 -0.30 1.55 0.00 -1.26 -5.00 121.76 121.85 2k74 s ALA 126 Ca 0.80 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 2k74 s ALA 126 Cb -0.66 -2.14 0.19 0.00 0.00 0.00 0.00 23.12 20.50 2k74 s ALA 126 CO 0.39 0.59 0.90 0.45 0.00 0.00 0.00 175.76 178.09 2k74 s SER 127 N -2.59 -0.82 0.00 0.00 0.15 -0.98 -4.98 113.70 104.48 2k74 s SER 127 Ca 0.41 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2k74 s SER 127 Cb -0.12 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.72 2k74 s SER 127 CO 0.25 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2k74 n GLY 128 N 5.23 1.18 3.78 9.45 0.00 -1.25 -3.80 105.19 119.78 2k74 n GLY 128 Ca 0.07 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 2k74 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k74 s ASP 129 N 0.00 7.19 -0.12 1.61 -1.08 -1.26 -4.67 116.67 118.34 2k74 s ASP 129 Ca 0.00 1.42 -0.17 0.00 -0.52 0.00 0.00 52.55 53.28 2k74 s ASP 129 Cb 0.00 -2.43 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 2k74 s ASP 129 CO 0.00 0.18 0.43 0.00 0.52 0.00 0.00 175.17 176.30 2k74 n ALA 131 N 3.53 0.00 -1.77 0.00 0.00 -1.26 -5.05 120.51 115.97 2k74 n ALA 131 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.99 2k74 n ALA 131 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 2k74 n ALA 131 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k74 s GLU 132 N -0.62 3.46 0.04 0.00 2.12 -1.25 -4.98 118.70 117.47 2k74 s GLU 132 Ca 0.00 1.80 -0.29 0.00 0.36 0.00 0.00 54.97 56.84 2k74 s GLU 132 Cb 0.00 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 32.13 2k74 s GLU 132 CO 0.00 -0.81 0.93 0.50 -0.54 0.00 0.00 175.26 175.34 2k74 s ARG 133 N -2.96 4.60 0.00 4.30 3.52 -1.26 -4.90 118.95 122.24 2k74 s ARG 133 Ca 0.69 1.35 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 2k74 s ARG 133 Cb -0.29 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2k74 s ARG 133 CO 0.34 0.09 0.00 1.04 -0.81 0.00 0.00 175.30 175.96 2k74 n GLN 134 N 3.36 2.39 -3.65 5.12 1.13 -1.26 -5.09 117.38 119.39 2k74 n GLN 134 Ca 0.03 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.07 2k74 n GLN 134 Cb 0.50 -0.79 -0.07 0.00 0.11 0.00 0.00 30.24 30.00 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 -1.43 -0.20 0.17 1.08 -0.11 -1.26 -5.14 118.94 112.05 2k74 s TRP 135 Ca 0.00 0.44 -0.01 0.00 1.22 0.00 0.00 56.10 57.75 2k74 s TRP 135 Cb 0.00 0.31 -0.04 0.00 -1.50 0.00 0.00 33.47 32.24 2k74 s TRP 135 CO 0.00 -0.10 0.08 0.16 -4.62 0.00 0.00 176.95 172.47 2k74 s ASP 136 N 0.55 0.42 -0.10 5.86 1.47 -1.26 -3.03 116.67 120.58 2k74 s ASP 136 Ca -0.00 -1.28 -0.04 0.00 1.18 0.00 0.00 52.55 52.41 2k74 s ASP 136 Cb -0.04 0.29 0.05 0.00 -0.34 0.00 0.00 42.92 42.89 2k74 s ASP 136 CO -0.12 -0.75 0.19 0.12 0.68 0.00 0.00 175.17 175.28 2k74 s PHE 137 N -4.02 -0.24 -0.15 2.11 5.36 0.41 -4.78 117.98 116.67 2k74 s PHE 137 Ca 0.30 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 56.97 2k74 s PHE 137 Cb 0.07 -0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 2k74 s PHE 137 CO 0.06 -0.29 0.00 -0.11 -1.46 0.00 0.00 175.22 173.42 2k74 n LEU 138 N 5.32 -0.07 0.00 6.12 0.00 -1.26 -2.57 117.00 124.55 2k74 n LEU 138 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 56.01 55.99 2k74 n LEU 138 Cb 0.50 -0.71 0.00 0.00 0.00 0.00 0.00 43.42 43.20 2k74 n LEU 138 CO 0.04 -0.10 0.00 0.61 0.00 0.00 0.00 177.39 177.94 2k74 n GLY 139 N -2.71 0.47 3.26 -3.96 0.00 -1.26 -5.04 105.19 95.94 2k74 n GLY 139 Ca -0.01 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 2.05 0.62 0.99 1.02 -1.06 -5.08 118.68 117.22 2k74 s LEU 140 Ca 0.00 -0.48 -0.16 0.00 0.02 0.00 0.00 54.13 53.51 2k74 s LEU 140 Cb 0.00 -1.31 -0.02 0.00 0.02 0.00 0.00 46.19 44.88 2k74 s LEU 140 CO 0.00 0.25 1.09 -1.61 0.02 0.00 0.00 176.35 176.09 2k74 s GLU 141 N -0.23 3.06 0.13 1.70 2.02 -1.26 -0.44 118.70 123.67 2k74 s GLU 141 Ca -0.01 1.32 -0.22 0.00 0.02 0.00 0.00 54.97 56.08 2k74 s GLU 141 Cb -0.13 -1.99 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 2k74 s GLU 141 CO 0.03 -1.03 1.68 0.52 0.02 0.00 0.00 175.26 176.47 2k74 h MET 142 N 0.28 -0.16 -1.09 1.61 2.86 -1.93 -1.61 114.93 114.88 2k74 h MET 142 Ca -0.47 0.01 0.32 0.00 -2.06 0.00 0.00 59.70 57.51 2k74 h MET 142 Cb 1.24 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 32.81 2k74 h MET 142 CO 0.56 -0.11 0.68 -1.35 1.06 0.00 0.00 176.91 177.75 2k74 h PRO 143 N -0.17 0.30 -0.03 -0.22 0.11 -1.93 0.40 132.00 130.48 2k74 h PRO 143 Ca 0.08 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 2k74 h PRO 143 Cb 0.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2k74 h PRO 143 CO -0.20 0.20 -0.11 0.37 -0.21 0.00 0.00 178.00 178.05 2k74 h GLN 144 N 0.31 0.13 0.49 1.05 -0.00 -1.70 -2.83 115.11 112.56 2k74 h GLN 144 Ca 0.70 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 59.24 2k74 h GLN 144 Cb 1.80 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 29.29 2k74 h GLN 144 CO -0.44 0.74 -0.37 -1.49 0.00 0.00 0.00 178.83 177.26 2k74 h TRP 145 N -0.46 -1.00 -1.07 3.99 4.06 0.13 -1.12 115.95 120.49 2k74 h TRP 145 Ca -0.01 -0.00 0.35 0.00 2.06 0.00 0.00 58.89 61.29 2k74 h TRP 145 Cb 0.75 0.37 -0.14 0.00 -1.00 0.00 0.00 29.16 29.14 2k74 h TRP 145 CO 0.14 -0.54 0.63 1.25 -3.56 0.00 0.00 178.44 176.36 2k74 h LEU 146 N -0.85 0.44 -1.25 -4.49 5.85 -0.44 2.90 115.31 117.47 2k74 h LEU 146 Ca -0.05 0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.96 2k74 h LEU 146 Cb 0.72 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.82 2k74 h LEU 146 CO 0.01 -0.15 0.57 0.25 -0.34 0.00 0.00 178.44 178.78 2k74 h LEU 147 N 0.26 0.72 -0.44 2.25 6.46 -0.94 0.76 115.31 124.37 2k74 h LEU 147 Ca 0.75 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.54 2k74 h LEU 147 Cb 1.88 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.67 2k74 h LEU 147 CO -0.55 0.40 0.29 1.23 -0.62 0.00 0.00 178.44 179.18 2k74 h GLY 148 N 0.78 0.63 2.00 3.75 0.00 0.55 -1.28 103.07 109.50 2k74 h GLY 148 Ca 0.42 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 2k74 h GLY 148 CO -0.19 0.24 -0.44 -2.22 0.00 0.00 0.00 176.54 173.92 2k74 h ILE 149 N 0.60 0.89 -0.28 2.60 5.03 -0.70 -2.98 117.51 122.67 2k74 h ILE 149 Ca 0.16 -1.86 -0.02 0.00 -0.12 0.00 0.00 64.86 63.02 2k74 h ILE 149 Cb -0.05 2.16 -0.01 0.00 -3.03 0.00 0.00 36.82 35.88 2k74 h ILE 149 CO -0.03 0.43 0.09 0.15 -0.68 0.00 0.00 178.15 178.11 2k74 h PHE 150 N 0.00 0.45 -0.29 1.37 3.04 0.12 -1.95 116.94 119.68 2k74 h PHE 150 Ca -0.00 -0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.79 2k74 h PHE 150 Cb 1.12 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 2k74 h PHE 150 CO 0.00 0.48 -0.27 -0.84 -2.02 0.00 0.00 178.31 175.65 2k74 h ILE 151 N 0.29 1.27 -0.10 1.41 3.07 -1.27 -2.95 117.51 119.24 2k74 h ILE 151 Ca 0.09 -1.35 0.01 0.00 1.55 0.00 0.00 64.86 65.16 2k74 h ILE 151 Cb 0.24 1.34 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 2k74 h ILE 151 CO -0.00 0.43 0.02 0.00 -1.05 0.00 0.00 178.15 177.55 2k74 h ALA 152 N 1.19 0.10 -0.40 0.16 0.00 -1.35 -0.16 119.26 118.80 2k74 h ALA 152 Ca 0.07 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2k74 h ALA 152 Cb 0.73 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 2k74 h ALA 152 CO 0.06 -0.44 0.04 1.88 0.00 0.00 0.00 179.25 180.79 2k74 h TYR 153 N 0.07 0.06 -0.37 0.00 -1.99 -1.24 0.18 116.97 113.69 2k74 h TYR 153 Ca 0.04 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 2k74 h TYR 153 Cb 0.03 0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 2k74 h TYR 153 CO -0.11 -0.03 0.10 -0.07 -0.00 0.00 0.00 178.16 178.05 2k74 h LEU 154 N 0.16 0.48 -0.57 3.88 3.38 -1.32 -2.01 115.31 119.31 2k74 h LEU 154 Ca 0.19 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2k74 h LEU 154 Cb 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2k74 h LEU 154 CO -0.29 0.48 -0.53 0.40 0.09 0.00 0.00 178.44 178.59 2k74 h ILE 155 N 0.52 1.33 -0.47 1.22 2.04 0.45 -2.79 117.51 119.81 2k74 h ILE 155 Ca 0.12 -1.78 -0.08 0.00 1.00 0.00 0.00 64.86 64.12 2k74 h ILE 155 Cb 0.19 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2k74 h ILE 155 CO -0.01 0.55 -0.03 0.58 0.00 0.00 0.00 178.15 179.24 2k74 h VAL 156 N 0.39 1.27 -0.36 1.67 2.07 -0.08 -2.34 116.25 118.86 2k74 h VAL 156 Ca 0.01 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2k74 h VAL 156 Cb 1.06 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2k74 h VAL 156 CO 0.10 0.39 0.11 0.00 0.02 0.00 0.00 177.57 178.18 2k74 h ALA 157 N 0.91 1.51 0.00 1.67 0.00 -1.33 -0.50 119.26 121.52 2k74 h ALA 157 Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2k74 h ALA 157 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2k74 h ALA 157 CO 0.03 0.37 -0.40 0.28 0.00 0.00 0.00 179.25 179.53 2k74 h VAL 158 N 0.52 0.88 0.20 0.00 2.07 -1.21 -2.34 116.25 116.36 2k74 h VAL 158 Ca 0.12 -1.63 -0.35 0.00 0.82 0.00 0.00 66.70 65.66 2k74 h VAL 158 Cb 0.17 2.00 0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2k74 h VAL 158 CO -0.01 0.39 -1.73 -0.07 0.02 0.00 0.00 177.57 176.17 2k74 h LEU 159 N 0.00 0.65 -0.74 2.57 3.38 -0.80 -2.90 115.31 117.46 2k74 h LEU 159 Ca -0.00 -0.94 -0.08 0.00 0.09 0.00 0.00 57.88 56.95 2k74 h LEU 159 Cb 0.97 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2k74 h LEU 159 CO 0.05 1.79 -0.38 -0.37 0.09 0.00 0.00 178.44 179.62 2k74 h VAL 160 N 0.11 0.81 0.01 1.22 -1.51 -1.16 -0.68 116.25 115.06 2k74 h VAL 160 Ca -0.34 -1.61 -0.09 0.00 -1.23 0.00 0.00 66.70 63.44 2k74 h VAL 160 Cb 2.11 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 33.28 2k74 h VAL 160 CO 0.19 0.37 -0.45 -0.37 -1.23 0.00 0.00 177.57 176.08 2k74 h VAL 161 N 0.00 1.51 0.00 7.19 -1.51 -1.55 -3.28 116.25 118.61 2k74 h VAL 161 Ca -0.00 -2.32 0.00 0.00 -1.23 0.00 0.00 66.70 63.15 2k74 h VAL 161 Cb 0.99 3.04 0.00 0.00 -2.13 0.00 0.00 31.29 33.19 2k74 h VAL 161 CO 0.05 0.54 0.00 -0.38 -1.23 0.00 0.00 177.57 176.55 2k74 n ILE 162 N -4.50 0.71 0.20 7.19 2.08 -1.09 -2.93 119.36 121.01 2k74 n ILE 162 Ca -0.17 0.18 0.18 0.00 0.56 0.00 0.00 62.75 63.50 2k74 n ILE 162 Cb 0.57 -0.88 0.83 0.00 -0.75 0.00 0.00 39.64 39.42 2k74 n ILE 162 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2k74 h SER 163 N 0.00 0.00 -0.28 4.38 0.02 -1.18 -3.37 113.55 113.12 2k74 h SER 163 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k74 h SER 163 Cb 0.27 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.66 2k74 h SER 163 CO 0.00 0.00 -0.18 1.67 -1.14 0.00 0.00 176.83 177.18 2k74 n GLN 164 N -3.75 0.18 -0.23 3.45 7.27 -1.15 -4.98 117.38 118.17 2k74 n GLN 164 Ca 0.02 -0.98 0.02 0.00 0.07 0.00 0.00 57.00 56.13 2k74 n GLN 164 Cb 0.35 -0.16 0.11 0.00 2.41 0.00 0.00 30.24 32.95 2k74 n GLN 164 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2k74 n PRO 165 N 2.53 2.01 -1.25 3.69 -0.04 -1.24 -5.01 135.00 135.68 2k74 n PRO 165 Ca 0.12 -0.82 0.14 0.00 -0.04 0.00 0.00 63.50 62.89 2k74 n PRO 165 Cb 0.64 -1.68 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 2k74 n PRO 165 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2k74 n PHE 166 N 0.16 -2.99 0.00 0.54 3.01 -1.26 -4.80 117.46 112.12 2k74 n PHE 166 Ca 0.07 1.61 0.00 0.00 1.01 0.00 0.00 57.45 60.15 2k74 n PHE 166 Cb 0.49 -2.72 0.00 0.00 -0.01 0.00 0.00 39.48 37.23 2k74 n PHE 166 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2k74 n LYS 167 N -3.94 0.00 0.00 -1.08 4.81 -1.26 -5.03 118.16 111.66 2k74 n LYS 167 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 2k74 n LYS 167 Cb 0.59 -0.28 0.00 0.00 0.02 0.00 0.00 35.03 35.37 2k74 n LYS 167 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k74 n ALA 168 N -3.00 0.00 -3.77 3.14 0.00 -1.26 -5.04 120.51 110.57 2k74 n ALA 168 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2k74 n ALA 168 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2k74 n ALA 168 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2k74 n LYS 169 N -1.41 -0.73 -2.25 0.00 2.85 -1.26 -4.80 118.16 110.56 2k74 n LYS 169 Ca 0.00 -0.09 -0.41 0.00 -1.05 0.00 0.00 58.31 56.76 2k74 n LYS 169 Cb 0.00 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 32.87 2k74 n LYS 169 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2k74 s LYS 170 N -6.06 4.42 0.91 -1.58 1.02 -1.26 -5.00 119.74 112.18 2k74 s LYS 170 Ca 0.16 2.03 -0.12 0.00 0.02 0.00 0.00 55.97 58.06 2k74 s LYS 170 Cb -0.09 -3.19 0.18 0.00 -0.52 0.00 0.00 37.83 34.21 2k74 s LYS 170 CO 0.57 -0.19 0.41 2.89 -0.92 0.00 0.00 175.35 178.11 2k74 n ARG 171 N 2.32 -1.52 -2.07 1.68 1.85 -1.26 -4.77 116.66 112.89 2k74 n ARG 171 Ca 0.05 -0.69 0.00 0.00 -1.00 0.00 0.00 57.85 56.21 2k74 n ARG 171 Cb 0.43 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 2k74 n ARG 171 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2k74 n ASP 172 N -1.72 -9.28 -0.78 2.89 8.00 -1.26 -4.90 116.55 109.49 2k74 n ASP 172 Ca 0.07 1.41 0.04 0.00 0.71 0.00 0.00 54.79 57.01 2k74 n ASP 172 Cb 0.28 -5.20 0.21 0.00 -0.02 0.00 0.00 41.12 36.39 2k74 n ASP 172 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k74 n LEU 173 N 1.65 3.49 -2.85 0.64 4.32 -1.26 -5.02 117.00 117.96 2k74 n LEU 173 Ca 0.00 -3.45 -0.00 0.00 -0.02 0.00 0.00 56.01 52.54 2k74 n LEU 173 Cb 0.00 -0.55 -0.00 0.00 -1.62 0.00 0.00 43.42 41.25 2k74 n LEU 173 CO 0.00 1.01 -0.50 0.33 -1.22 0.00 0.00 177.39 177.01 2k74 n PHE 174 N -1.02 -2.87 -1.77 -1.77 -0.00 -1.26 -4.67 117.46 104.09 2k74 n PHE 174 Ca 0.24 1.29 0.00 0.00 -0.00 0.00 0.00 57.45 58.98 2k74 n PHE 174 Cb 0.86 -3.15 0.00 0.00 -0.00 0.00 0.00 39.48 37.19 2k74 n PHE 174 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2k74 n GLY 175 N 0.91 1.94 2.54 7.13 0.00 -1.26 -4.34 105.19 112.12 2k74 n GLY 175 Ca -0.01 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 2k74 n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k74 s ARG 176 N 0.00 0.26 -0.35 1.61 0.52 -1.26 -4.97 118.95 114.76 2k74 s ARG 176 Ca 0.00 -0.65 0.13 0.00 -0.52 0.00 0.00 55.73 54.69 2k74 s ARG 176 Cb 0.00 -1.15 0.41 0.00 0.52 0.00 0.00 34.95 34.73 2k74 s ARG 176 CO 0.00 -1.06 1.45 0.41 0.02 0.00 0.00 175.30 176.13 2k74 n GLY 177 N 5.03 1.82 0.00 -3.53 0.00 -1.26 -5.04 105.19 102.21 2k74 n GLY 177 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2k74 n GLY 177 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k74 n HIS 178 N -1.19 0.00 -1.16 1.61 1.44 -1.26 -4.91 115.22 109.75 2k74 n HIS 178 Ca -0.11 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.61 2k74 n HIS 178 Cb 0.86 -0.02 -0.00 0.00 0.12 0.00 0.00 29.99 30.95 2k74 n HIS 178 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k74 n HIS 179 N -0.74 -1.59 -0.67 -1.40 8.25 -1.26 -4.67 115.22 113.15 2k74 n HIS 179 Ca 0.00 0.13 -0.31 0.00 -0.26 0.00 0.00 57.72 57.28 2k74 n HIS 179 Cb 0.00 -0.18 0.17 0.00 1.12 0.00 0.00 29.99 31.10 2k74 n HIS 179 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k74 n HIS 180 N -0.82 -0.33 -2.82 4.41 -0.00 -1.26 -4.36 115.22 110.04 2k74 n HIS 180 Ca 0.00 0.24 -0.05 0.00 0.46 0.00 0.00 57.72 58.36 2k74 n HIS 180 Cb 0.05 -1.85 0.01 0.00 -0.12 0.00 0.00 29.99 28.07 2k74 n HIS 180 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k74 n HIS 181 N -4.22 -3.65 -0.79 1.57 8.25 -1.26 -4.93 115.22 110.19 2k74 n HIS 181 Ca 0.08 1.53 -0.34 0.00 -0.26 0.00 0.00 57.72 58.74 2k74 n HIS 181 Cb 0.54 -4.00 0.12 0.00 1.12 0.00 0.00 29.99 27.77 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 0.10 -1.87 0.00 4.41 -0.00 -1.26 -5.03 115.22 111.57 2k74 n HIS 182 Ca 0.07 0.21 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 2k74 n HIS 182 Cb 0.29 -1.62 0.00 0.00 -0.00 0.00 0.00 29.99 28.66 2k74 n HIS 182 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06