#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k07 s ALA 2 N 0.00 3.30 -1.37 3.04 0.00 -1.26 -4.64 121.76 120.83 2k07 s ALA 2 Ca 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 51.96 49.98 2k07 s ALA 2 Cb 0.00 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.51 2k07 s ALA 2 CO 0.00 -1.52 0.47 -0.25 0.00 0.00 0.00 175.76 174.47 2k07 n ASP 3 N 4.98 -4.68 0.23 0.00 8.00 -1.26 -4.83 116.55 118.99 2k07 n ASP 3 Ca -0.11 -0.28 0.08 0.00 0.71 0.00 0.00 54.79 55.18 2k07 n ASP 3 Cb 0.45 -3.84 0.57 0.00 -0.02 0.00 0.00 41.12 38.27 2k07 n ASP 3 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2k07 h GLU 4 N -1.01 0.00 -0.11 -1.24 4.11 -1.99 -1.78 114.58 112.56 2k07 h GLU 4 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 2k07 h GLU 4 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 2k07 h GLU 4 CO 0.53 0.18 0.01 0.00 0.07 0.00 0.00 179.01 179.80 2k07 h ALA 5 N 1.82 0.14 -0.08 1.06 0.00 -1.96 -1.75 119.26 118.49 2k07 h ALA 5 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k07 h ALA 5 Cb 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k07 h ALA 5 CO 0.02 -0.19 0.02 1.15 0.00 0.00 0.00 179.25 180.25 2k07 h THR 6 N -0.06 0.97 0.00 0.00 2.02 -1.76 -1.81 112.91 112.26 2k07 h THR 6 Ca 0.03 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2k07 h THR 6 Cb 0.31 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2k07 h THR 6 CO 0.00 0.01 -0.16 0.08 0.37 0.00 0.00 175.52 175.82 2k07 h ARG 7 N 0.06 0.00 -0.23 6.66 -0.00 -1.38 -2.41 114.38 117.08 2k07 h ARG 7 Ca 0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.82 2k07 h ARG 7 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 2k07 h ARG 7 CO -0.04 0.16 -0.62 -0.09 -0.00 0.00 0.00 179.97 179.38 2k07 h ARG 8 N 0.00 0.79 -0.44 0.08 2.43 -0.72 -1.74 114.38 114.78 2k07 h ARG 8 Ca -0.00 -0.54 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 2k07 h ARG 8 Cb 0.57 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2k07 h ARG 8 CO 0.02 1.17 0.24 0.28 -1.51 0.00 0.00 179.97 180.17 2k07 h VAL 9 N 0.59 1.16 -0.19 0.20 2.07 -0.87 -1.52 116.25 117.68 2k07 h VAL 9 Ca -0.01 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 2k07 h VAL 9 Cb 1.22 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 2k07 h VAL 9 CO 0.13 0.17 -0.27 0.58 0.02 0.00 0.00 177.57 178.20 2k07 h VAL 10 N 0.57 1.26 -0.13 2.57 2.07 -1.45 -2.73 116.25 118.41 2k07 h VAL 10 Ca 0.15 -1.24 -0.18 0.00 0.82 0.00 0.00 66.70 66.25 2k07 h VAL 10 Cb 0.05 1.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2k07 h VAL 10 CO -0.02 0.39 -0.64 -1.28 0.02 0.00 0.00 177.57 176.03 2k07 h SER 11 N 0.33 0.79 0.04 0.57 0.87 -0.95 -3.20 113.55 112.00 2k07 h SER 11 Ca 0.05 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 2k07 h SER 11 Cb 0.65 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2k07 h SER 11 CO 0.05 1.29 -0.03 -0.62 -0.53 0.00 0.00 176.83 176.99 2k07 n GLU 12 N -4.08 1.40 -3.79 2.24 1.02 -0.60 -4.35 120.64 112.47 2k07 n GLU 12 Ca -0.08 -0.69 -0.34 0.00 -0.02 0.00 0.00 57.16 56.03 2k07 n GLU 12 Cb 0.67 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.50 2k07 n GLU 12 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k07 s ILE 13 N -2.08 3.37 0.62 -3.67 1.01 -1.03 -4.77 121.20 114.65 2k07 s ILE 13 Ca 0.38 -3.21 -0.17 0.00 0.00 0.00 0.00 60.65 57.64 2k07 s ILE 13 Cb 0.21 -3.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 2k07 s ILE 13 CO 0.37 -0.88 0.54 -0.81 0.00 0.00 0.00 174.94 174.16 2k07 n PRO 14 N 3.20 0.46 -2.39 2.79 -0.04 -1.26 -4.84 135.00 132.91 2k07 n PRO 14 Ca 0.09 0.19 -0.30 0.00 -0.04 0.00 0.00 63.50 63.43 2k07 n PRO 14 Cb 0.36 -1.76 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 2k07 n PRO 14 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2k07 s VAL 15 N -1.77 4.75 0.02 0.52 -7.23 -1.26 -4.85 120.40 110.58 2k07 s VAL 15 Ca 0.68 0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 61.53 2k07 s VAL 15 Cb -0.41 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.68 2k07 s VAL 15 CO 0.55 -0.84 0.18 -0.76 -0.31 0.00 0.00 175.10 173.92 2k07 s LEU 16 N -4.56 4.32 -0.01 1.32 1.02 -1.21 -5.01 118.68 114.54 2k07 s LEU 16 Ca 0.53 0.29 -0.12 0.00 0.02 0.00 0.00 54.13 54.85 2k07 s LEU 16 Cb -0.10 -2.71 -0.33 0.00 0.02 0.00 0.00 46.19 43.07 2k07 s LEU 16 CO 0.42 0.23 0.82 0.11 0.02 0.00 0.00 176.35 177.95 2k07 h LYS 17 N 3.55 0.45 -5.68 1.70 6.56 -1.97 -3.42 116.57 117.76 2k07 h LYS 17 Ca -0.47 -0.76 -0.60 0.00 -1.06 0.00 0.00 60.65 57.75 2k07 h LYS 17 Cb 1.18 0.28 -0.10 0.00 -0.57 0.00 0.00 32.23 33.03 2k07 h LYS 17 CO 0.71 1.36 0.26 0.99 -2.06 0.00 0.00 179.45 180.71 2k07 s THR 18 N -2.59 4.94 -0.11 -0.16 2.01 -1.26 -5.01 115.64 113.45 2k07 s THR 18 Ca -0.13 1.33 -0.04 0.00 0.31 0.00 0.00 61.69 63.16 2k07 s THR 18 Cb 0.05 -4.01 0.06 0.00 0.01 0.00 0.00 72.50 68.61 2k07 s THR 18 CO 0.89 0.02 0.23 0.54 -0.69 0.00 0.00 174.62 175.61 2k07 s ASN 19 N 1.32 0.44 0.25 3.53 4.22 -1.26 -4.67 114.94 118.77 2k07 s ASN 19 Ca 0.31 0.51 0.00 0.00 -2.14 0.00 0.00 52.86 51.53 2k07 s ASN 19 Cb -0.16 0.55 0.00 0.00 1.28 0.00 0.00 41.25 42.92 2k07 s ASN 19 CO 0.09 -0.24 0.00 0.00 -2.04 0.00 0.00 177.10 174.91 2k07 n ALA 20 N 5.27 0.14 0.00 3.54 0.00 -1.26 -5.02 120.51 123.18 2k07 n ALA 20 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2k07 n ALA 20 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2k07 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k07 n GLY 21 N -1.36 0.31 0.00 0.00 0.00 -1.25 -3.94 105.19 98.94 2k07 n GLY 21 Ca 0.00 -2.27 0.05 0.00 0.00 0.00 0.00 46.02 43.80 2k07 n GLY 21 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k07 n PRO 22 N 0.00 0.64 0.11 1.61 -0.02 -1.26 -2.94 135.00 133.13 2k07 n PRO 22 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2k07 n PRO 22 Cb 0.00 -1.24 0.08 0.00 -0.02 0.00 0.00 33.50 32.32 2k07 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k07 h ARG 23 N 0.00 0.08 -4.73 -0.52 2.47 -1.86 -3.40 114.38 106.41 2k07 h ARG 23 Ca 0.00 -0.07 -0.66 0.00 -1.26 0.00 0.00 59.98 57.99 2k07 h ARG 23 Cb 0.00 0.02 -0.39 0.00 -1.65 0.00 0.00 29.97 27.95 2k07 h ARG 23 CO 0.00 0.77 -0.76 0.34 0.56 0.00 0.00 179.97 180.88 2k07 s ASP 24 N -6.85 4.60 0.22 7.04 -1.08 -1.15 -5.00 116.67 114.44 2k07 s ASP 24 Ca -0.02 -1.81 -0.08 0.00 -0.52 0.00 0.00 52.55 50.12 2k07 s ASP 24 Cb 0.12 -1.57 0.17 0.00 -1.46 0.00 0.00 42.92 40.18 2k07 s ASP 24 CO 0.79 -0.30 1.83 0.03 0.52 0.00 0.00 175.17 178.04 2k07 h ARG 25 N 7.69 1.14 -0.40 4.34 3.08 -1.84 0.43 114.38 128.82 2k07 h ARG 25 Ca -0.11 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 2k07 h ARG 25 Cb 1.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2k07 h ARG 25 CO 0.49 0.85 0.01 1.49 -1.07 0.00 0.00 179.97 181.74 2k07 h GLU 26 N 1.13 0.71 0.00 0.04 4.57 -1.96 -2.49 114.58 116.59 2k07 h GLU 26 Ca 0.28 -0.22 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 2k07 h GLU 26 Cb 0.06 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2k07 h GLU 26 CO -0.04 0.79 -0.25 -0.07 -1.18 0.00 0.00 179.01 178.26 2k07 h LEU 27 N 0.54 0.00 -0.86 1.64 -0.00 -1.81 -2.53 115.31 112.29 2k07 h LEU 27 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.94 2k07 h LEU 27 Cb 0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 2k07 h LEU 27 CO 0.02 0.25 0.23 -0.25 -0.00 0.00 0.00 178.44 178.69 2k07 h TRP 28 N 0.00 1.10 -0.58 1.13 -0.00 0.14 0.26 115.95 118.01 2k07 h TRP 28 Ca -0.00 -0.10 -0.06 0.00 -0.00 0.00 0.00 58.89 58.73 2k07 h TRP 28 Cb 0.89 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.70 2k07 h TRP 28 CO 0.00 0.87 0.15 0.28 -0.00 0.00 0.00 178.44 179.74 2k07 h VAL 29 N 1.04 1.25 -0.53 2.65 2.07 -1.04 0.45 116.25 122.14 2k07 h VAL 29 Ca 0.23 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.88 2k07 h VAL 29 Cb 0.27 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2k07 h VAL 29 CO -0.01 0.33 0.33 1.56 0.02 0.00 0.00 177.57 179.80 2k07 h GLN 30 N 0.83 0.64 -0.52 1.57 1.08 -1.12 -2.18 115.11 115.40 2k07 h GLN 30 Ca 0.18 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2k07 h GLN 30 Cb 0.34 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2k07 h GLN 30 CO 0.00 0.42 0.34 -0.09 -0.95 0.00 0.00 178.83 178.55 2k07 h ARG 31 N 0.66 0.70 -0.15 1.46 9.65 -0.12 -2.13 114.38 124.45 2k07 h ARG 31 Ca 0.21 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.05 2k07 h ARG 31 Cb -0.02 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.39 2k07 h ARG 31 CO -0.08 0.48 0.03 -0.07 2.80 0.00 0.00 179.97 183.13 2k07 h LEU 32 N 0.71 0.01 -0.44 3.80 -0.00 -0.55 0.15 115.31 118.99 2k07 h LEU 32 Ca 0.19 0.02 -0.17 0.00 -0.00 0.00 0.00 57.88 57.93 2k07 h LEU 32 Cb -0.06 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2k07 h LEU 32 CO -0.04 0.03 -0.50 0.07 -0.00 0.00 0.00 178.44 178.00 2k07 h LYS 33 N 0.09 0.73 -0.38 1.13 2.10 -1.30 0.31 116.57 119.25 2k07 h LYS 33 Ca 0.06 -0.44 -0.07 0.00 -2.00 0.00 0.00 60.65 58.20 2k07 h LYS 33 Cb 0.06 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 2k07 h LYS 33 CO -0.09 1.06 -0.05 0.93 -2.00 0.00 0.00 179.45 179.30 2k07 h GLU 34 N 0.58 0.71 -0.02 0.07 5.08 -1.27 -2.40 114.58 117.32 2k07 h GLU 34 Ca 0.02 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 2k07 h GLU 34 Cb 1.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2k07 h GLU 34 CO 0.11 0.84 -0.44 1.49 -1.00 0.00 0.00 179.01 180.01 2k07 h GLU 35 N 0.52 0.05 -0.48 2.33 4.57 -0.56 -1.93 114.58 119.08 2k07 h GLU 35 Ca 0.10 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 2k07 h GLU 35 Cb 0.55 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 2k07 h GLU 35 CO 0.03 0.48 0.13 -0.92 -1.18 0.00 0.00 179.01 177.55 2k07 h TYR 36 N 0.05 0.79 -0.66 0.92 3.20 -0.18 0.47 116.97 121.56 2k07 h TYR 36 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2k07 h TYR 36 Cb 0.79 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 2k07 h TYR 36 CO 0.00 0.70 0.43 1.96 -1.64 0.00 0.00 178.16 179.62 2k07 h GLN 37 N 0.65 0.87 -0.46 1.82 1.08 -1.20 0.84 115.11 118.70 2k07 h GLN 37 Ca 0.15 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.35 2k07 h GLN 37 Cb 0.30 -0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 2k07 h GLN 37 CO -0.00 0.58 0.19 1.03 -0.95 0.00 0.00 178.83 179.68 2k07 h SER 38 N 0.89 0.24 0.50 1.46 0.87 -0.74 -1.34 113.55 115.43 2k07 h SER 38 Ca 0.24 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2k07 h SER 38 Cb -0.09 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2k07 h SER 38 CO -0.05 0.17 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.11 2k07 h LEU 39 N 0.38 -0.57 -0.77 2.23 3.38 0.46 -2.73 115.31 117.70 2k07 h LEU 39 Ca 0.21 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.30 2k07 h LEU 39 Cb 0.18 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 2k07 h LEU 39 CO -0.19 -0.35 0.35 0.40 0.09 0.00 0.00 178.44 178.74 2k07 h ILE 40 N -0.75 0.71 -0.49 1.22 2.04 -0.71 0.21 117.51 119.73 2k07 h ILE 40 Ca -0.07 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.63 2k07 h ILE 40 Cb 0.55 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2k07 h ILE 40 CO 0.11 0.10 0.31 -0.09 0.00 0.00 0.00 178.15 178.58 2k07 h ARG 41 N 0.52 0.61 -0.22 2.37 1.12 -1.16 0.14 114.38 117.76 2k07 h ARG 41 Ca 0.42 -0.04 -0.14 0.00 -1.11 0.00 0.00 59.98 59.11 2k07 h ARG 41 Cb 0.59 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 2k07 h ARG 41 CO -0.37 0.40 -0.42 -0.92 -3.11 0.00 0.00 179.97 175.56 2k07 h TYR 42 N 0.63 0.85 -0.53 2.20 3.20 -0.88 -0.64 116.97 121.80 2k07 h TYR 42 Ca 0.19 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2k07 h TYR 42 Cb -0.03 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 2k07 h TYR 42 CO -0.05 1.07 0.31 0.28 -1.64 0.00 0.00 178.16 178.13 2k07 h VAL 43 N 0.38 1.17 -0.47 1.81 2.07 -0.41 -0.59 116.25 120.20 2k07 h VAL 43 Ca 0.01 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.02 2k07 h VAL 43 Cb 1.02 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2k07 h VAL 43 CO 0.09 0.18 -0.15 -0.33 0.02 0.00 0.00 177.57 177.38 2k07 h GLU 44 N 0.71 0.90 -0.97 1.57 4.39 -0.72 -2.56 114.58 117.90 2k07 h GLU 44 Ca 0.19 -0.34 0.06 0.00 0.34 0.00 0.00 59.36 59.61 2k07 h GLU 44 Cb 0.01 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.55 2k07 h GLU 44 CO -0.03 0.99 0.62 -0.91 -1.16 0.00 0.00 179.01 178.52 2k07 h ASN 45 N 0.80 1.01 -0.46 1.42 4.21 -0.59 0.17 115.58 122.13 2k07 h ASN 45 Ca 0.12 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.62 2k07 h ASN 45 Cb 0.69 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.66 2k07 h ASN 45 CO 0.05 0.65 0.23 0.78 -1.29 0.00 0.00 177.43 177.85 2k07 h ASN 46 N 1.15 0.60 -0.47 5.81 2.35 -0.82 -0.03 115.58 124.18 2k07 h ASN 46 Ca 0.41 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 2k07 h ASN 46 Cb 0.12 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2k07 h ASN 46 CO -0.16 0.55 0.06 0.11 -1.65 0.00 0.00 177.43 176.35 2k07 h LYS 47 N 0.61 0.85 0.00 0.81 1.57 -1.00 0.23 116.57 119.63 2k07 h LYS 47 Ca 0.16 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2k07 h LYS 47 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2k07 h LYS 47 CO -0.02 0.81 0.00 -0.91 -0.57 0.00 0.00 179.45 178.76 2k07 h ASN 48 N 0.80 0.00 -0.00 0.86 2.35 -0.29 -1.20 115.58 118.10 2k07 h ASN 48 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2k07 h ASN 48 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2k07 h ASN 48 CO 0.01 0.00 -0.12 0.00 -1.65 0.00 0.00 177.43 175.67 2k07 n ALA 49 N -2.09 2.76 -2.36 -0.83 0.00 -0.06 -4.96 120.51 112.97 2k07 n ALA 49 Ca 0.01 -0.61 -0.16 0.00 0.00 0.00 0.00 53.44 52.68 2k07 n ALA 49 Cb 0.31 -0.90 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 2k07 n ALA 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k07 n ASP 50 N 0.68 -4.69 -3.69 0.00 2.03 -0.15 -4.98 116.55 105.73 2k07 n ASP 50 Ca 0.14 -0.04 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 2k07 n ASP 50 Cb 0.50 -3.79 -0.14 0.00 -0.72 0.00 0.00 41.12 36.98 2k07 n ASP 50 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2k07 s ASN 51 N -2.36 3.72 -0.41 1.67 2.47 0.61 -4.99 114.94 115.65 2k07 s ASN 51 Ca 0.03 -2.23 -0.15 0.00 0.42 0.00 0.00 52.86 50.93 2k07 s ASN 51 Cb -0.01 -0.91 0.02 0.00 -1.45 0.00 0.00 41.25 38.89 2k07 s ASN 51 CO 0.04 -0.32 0.32 -0.62 -3.72 0.00 0.00 177.10 172.80 2k07 s ASP 52 N 0.88 6.12 0.00 -4.21 2.15 -1.26 -4.39 116.67 115.96 2k07 s ASP 52 Ca 0.15 -0.83 0.00 0.00 0.43 0.00 0.00 52.55 52.30 2k07 s ASP 52 Cb -0.22 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 2k07 s ASP 52 CO -0.08 -0.46 0.39 -2.67 -0.17 0.00 0.00 175.17 172.17 2k07 n TRP 53 N 5.24 0.00 -3.62 -5.34 4.27 -1.26 -4.83 117.44 111.90 2k07 n TRP 53 Ca -0.10 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.37 2k07 n TRP 53 Cb 0.47 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.35 2k07 n TRP 53 CO 0.00 0.00 0.00 -0.59 -2.29 0.00 0.00 177.69 174.81 2k07 s PHE 54 N -0.01 -0.73 -0.04 -2.67 -0.71 -1.26 0.28 117.98 112.84 2k07 s PHE 54 Ca 0.00 1.71 0.01 0.00 -1.04 0.00 0.00 56.93 57.61 2k07 s PHE 54 Cb 0.00 0.30 0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2k07 s PHE 54 CO 0.00 -0.39 -0.04 1.03 -1.34 0.00 0.00 175.22 174.48 2k07 s ARG 55 N 0.13 0.71 -0.12 1.99 0.52 -0.43 -5.00 118.95 116.75 2k07 s ARG 55 Ca -0.01 -0.07 -0.05 0.00 -0.52 0.00 0.00 55.73 55.08 2k07 s ARG 55 Cb -0.04 -0.76 0.05 0.00 0.52 0.00 0.00 34.95 34.73 2k07 s ARG 55 CO 0.01 -0.09 0.27 -1.17 0.02 0.00 0.00 175.30 174.34 2k07 s LEU 56 N 0.92 0.11 0.32 2.53 2.96 -1.26 -1.18 118.68 123.07 2k07 s LEU 56 Ca -0.11 0.59 0.09 0.00 -0.22 0.00 0.00 54.13 54.48 2k07 s LEU 56 Cb -0.14 0.79 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 2k07 s LEU 56 CO -0.00 -0.19 0.11 -1.61 -1.32 0.00 0.00 176.35 173.33 2k07 s GLU 57 N 1.68 2.38 0.19 1.98 8.01 0.58 -4.93 118.70 128.59 2k07 s GLU 57 Ca -0.06 -1.49 0.08 0.00 0.01 0.00 0.00 54.97 53.51 2k07 s GLU 57 Cb -0.11 -2.19 -0.04 0.00 -4.31 0.00 0.00 34.13 27.48 2k07 s GLU 57 CO -0.09 0.19 -0.17 -1.54 0.01 0.00 0.00 175.26 173.66 2k07 s SER 58 N -3.80 2.68 0.98 -0.19 1.04 -1.26 -0.50 113.70 112.65 2k07 s SER 58 Ca 0.36 -0.93 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 2k07 s SER 58 Cb -0.04 -0.16 0.18 0.00 0.10 0.00 0.00 66.02 66.10 2k07 s SER 58 CO 0.22 -0.08 1.09 0.20 0.98 0.00 0.00 173.24 175.64 2k07 s ASN 59 N -2.96 2.74 0.51 7.02 -0.87 -0.55 -4.89 114.94 115.93 2k07 s ASN 59 Ca 0.19 1.32 0.32 0.00 -1.57 0.00 0.00 52.86 53.12 2k07 s ASN 59 Cb -0.04 -2.00 1.31 0.00 -0.02 0.00 0.00 41.25 40.50 2k07 s ASN 59 CO 0.07 -3.08 1.94 0.11 -2.57 0.00 0.00 177.10 173.58 2k07 h LYS 60 N -1.85 0.00 -0.06 -0.60 1.57 -2.01 -1.51 116.57 112.10 2k07 h LYS 60 Ca -0.53 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.09 2k07 h LYS 60 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 2k07 h LYS 60 CO 0.56 0.00 -0.64 0.93 -0.57 0.00 0.00 179.45 179.73 2k07 h GLU 61 N 0.00 0.25 0.00 3.15 5.08 -1.95 -3.47 114.58 117.64 2k07 h GLU 61 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2k07 h GLU 61 Cb 0.49 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k07 h GLU 61 CO 0.00 0.80 0.00 0.41 -1.00 0.00 0.00 179.01 179.22 2k07 n GLY 62 N 0.35 0.44 0.08 -3.84 0.00 -0.57 -4.88 105.19 96.76 2k07 n GLY 62 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2k07 n GLY 62 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k07 h THR 63 N 0.00 0.89 -3.62 2.61 1.35 -1.91 -3.45 112.91 108.78 2k07 h THR 63 Ca 0.00 -2.74 -0.67 0.00 -0.55 0.00 0.00 66.41 62.45 2k07 h THR 63 Cb 0.19 2.45 -0.26 0.00 -1.73 0.00 0.00 68.15 68.79 2k07 h THR 63 CO 0.00 0.52 -0.78 -0.13 -0.25 0.00 0.00 175.52 174.88 2k07 s ARG 64 N -2.60 3.01 -0.11 4.72 0.52 -1.26 -1.09 118.95 122.14 2k07 s ARG 64 Ca -0.05 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 2k07 s ARG 64 Cb 0.08 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 33.07 2k07 s ARG 64 CO 0.82 0.37 -0.17 -1.58 0.02 0.00 0.00 175.30 174.76 2k07 s TRP 65 N -0.06 2.10 0.03 -0.53 0.52 -0.85 -1.48 118.94 118.67 2k07 s TRP 65 Ca -0.03 -0.96 0.02 0.00 0.02 0.00 0.00 56.10 55.15 2k07 s TRP 65 Cb -0.14 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.68 2k07 s TRP 65 CO 0.04 -0.46 -0.07 -0.59 0.02 0.00 0.00 176.95 175.88 2k07 s PHE 66 N 0.82 0.63 -1.06 -1.98 -0.71 0.35 -1.32 117.98 114.71 2k07 s PHE 66 Ca -0.10 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.37 2k07 s PHE 66 Cb -0.16 -0.38 0.00 0.00 -1.21 0.00 0.00 43.02 41.27 2k07 s PHE 66 CO 0.01 -0.07 0.00 0.41 -1.34 0.00 0.00 175.22 174.23 2k07 n GLY 67 N 1.73 -0.73 3.51 1.99 0.00 -0.39 -0.31 105.19 110.99 2k07 n GLY 67 Ca -0.21 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 2k07 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k07 s LYS 68 N -1.01 1.07 0.08 1.61 -2.85 -0.33 -0.15 119.74 118.15 2k07 s LYS 68 Ca 0.00 0.20 0.08 0.00 -1.00 0.00 0.00 55.97 55.25 2k07 s LYS 68 Cb 0.00 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 2k07 s LYS 68 CO 0.00 -0.34 -0.18 0.00 0.10 0.00 0.00 175.35 174.93 2k07 s TRP 70 N -1.04 2.78 -0.15 0.00 0.51 0.14 -0.34 118.94 120.84 2k07 s TRP 70 Ca 0.16 -0.76 0.01 0.00 -2.12 0.00 0.00 56.10 53.40 2k07 s TRP 70 Cb -0.11 -1.84 0.01 0.00 -0.81 0.00 0.00 33.47 30.72 2k07 s TRP 70 CO 0.08 -0.28 -0.19 -0.47 -0.51 0.00 0.00 176.95 175.58 2k07 s TYR 71 N 0.43 2.73 -0.24 -1.98 5.04 0.86 -4.58 117.35 119.61 2k07 s TYR 71 Ca -0.11 -1.28 -0.24 0.00 -2.44 0.00 0.00 57.07 53.00 2k07 s TYR 71 Cb -0.16 -1.86 -0.01 0.00 0.35 0.00 0.00 41.96 40.28 2k07 s TYR 71 CO 0.05 -0.60 0.78 0.42 -1.34 0.00 0.00 175.55 174.87 2k07 s ILE 72 N 0.91 4.87 -0.25 3.14 -1.09 -1.26 -1.42 121.20 126.09 2k07 s ILE 72 Ca -0.04 1.47 0.01 0.00 -2.23 0.00 0.00 60.65 59.87 2k07 s ILE 72 Cb -0.15 -4.08 0.07 0.00 -1.58 0.00 0.00 42.46 36.72 2k07 s ILE 72 CO -0.03 -0.05 -0.05 -2.28 -1.23 0.00 0.00 174.94 171.31 2k07 s HIS 73 N 2.73 2.68 0.00 3.97 2.46 0.05 -4.97 115.29 122.21 2k07 s HIS 73 Ca 0.33 -2.00 0.00 0.00 0.47 0.00 0.00 55.06 53.86 2k07 s HIS 73 Cb -0.15 -1.80 0.00 0.00 -0.13 0.00 0.00 32.58 30.50 2k07 s HIS 73 CO 0.08 -0.82 0.00 -3.47 -2.47 0.00 0.00 174.74 168.06 2k07 n ASP 74 N 4.59 0.00 0.00 9.88 2.03 -1.26 -0.98 116.55 130.81 2k07 n ASP 74 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2k07 n ASP 74 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2k07 n ASP 74 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k07 n LEU 75 N 0.00 0.61 -4.57 -2.67 7.99 -1.26 -5.08 117.00 112.02 2k07 n LEU 75 Ca 0.00 -0.61 -0.31 0.00 -0.01 0.00 0.00 56.01 55.08 2k07 n LEU 75 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 2k07 n LEU 75 CO 0.00 0.15 -0.41 -0.76 -1.51 0.00 0.00 177.39 174.86 2k07 s LEU 76 N -0.24 3.05 -0.41 2.23 1.02 -0.15 -4.98 118.68 119.20 2k07 s LEU 76 Ca 0.00 -0.29 0.01 0.00 0.02 0.00 0.00 54.13 53.86 2k07 s LEU 76 Cb 0.00 -1.81 0.11 0.00 0.02 0.00 0.00 46.19 44.51 2k07 s LEU 76 CO 0.00 0.23 0.17 -0.75 0.02 0.00 0.00 176.35 176.01 2k07 s LYS 77 N -1.83 1.84 -0.09 1.70 2.20 -1.26 -0.77 119.74 121.53 2k07 s LYS 77 Ca 0.19 -1.99 -0.16 0.00 -0.36 0.00 0.00 55.97 53.65 2k07 s LYS 77 Cb -0.11 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 2k07 s LYS 77 CO 0.11 -1.03 0.42 0.71 -0.36 0.00 0.00 175.35 175.19 2k07 s TYR 78 N 0.80 3.57 -0.10 4.03 2.02 -0.51 -4.89 117.35 122.27 2k07 s TYR 78 Ca 0.11 0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 57.67 2k07 s TYR 78 Cb -0.21 -2.43 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 2k07 s TYR 78 CO -0.05 0.33 -0.06 -1.83 -1.57 0.00 0.00 175.55 172.37 2k07 s GLU 79 N 0.05 3.05 -0.19 -0.62 1.03 -1.26 -0.10 118.70 120.66 2k07 s GLU 79 Ca 0.23 -0.55 0.01 0.00 0.03 0.00 0.00 54.97 54.70 2k07 s GLU 79 Cb -0.15 -2.68 0.03 0.00 -0.80 0.00 0.00 34.13 30.53 2k07 s GLU 79 CO 0.10 0.52 -0.15 -0.06 -1.33 0.00 0.00 175.26 174.34 2k07 s PHE 80 N -0.41 2.63 -0.11 4.83 0.08 0.54 -4.95 117.98 120.58 2k07 s PHE 80 Ca 0.06 -1.65 -0.29 0.00 0.12 0.00 0.00 56.93 55.17 2k07 s PHE 80 Cb -0.12 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 2k07 s PHE 80 CO 0.02 -0.77 1.70 0.34 -0.10 0.00 0.00 175.22 176.41 2k07 s ASP 81 N 1.33 6.47 0.30 1.36 2.15 -1.26 -1.25 116.67 125.77 2k07 s ASP 81 Ca 0.01 2.04 0.11 0.00 0.43 0.00 0.00 52.55 55.14 2k07 s ASP 81 Cb -0.15 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 39.89 2k07 s ASP 81 CO -0.10 -1.12 -0.12 0.27 -0.17 0.00 0.00 175.17 173.93 2k07 s ILE 82 N 4.75 2.59 0.06 4.11 -4.36 0.78 -3.97 121.20 125.16 2k07 s ILE 82 Ca 0.76 -2.24 -0.27 0.00 -0.26 0.00 0.00 60.65 58.64 2k07 s ILE 82 Cb -0.31 -2.51 0.09 0.00 1.25 0.00 0.00 42.46 40.97 2k07 s ILE 82 CO 0.31 -0.33 0.84 -1.83 0.24 0.00 0.00 174.94 174.16 2k07 s GLU 83 N -3.58 1.00 0.19 0.37 -1.05 -1.26 -1.26 118.70 113.12 2k07 s GLU 83 Ca 0.31 -0.41 -0.23 0.00 -0.15 0.00 0.00 54.97 54.49 2k07 s GLU 83 Cb -0.03 0.43 0.05 0.00 -0.44 0.00 0.00 34.13 34.14 2k07 s GLU 83 CO 0.17 -0.44 0.78 -0.59 0.95 0.00 0.00 175.26 176.13 2k07 s PHE 84 N -3.30 -0.25 0.25 4.83 -0.12 -0.43 -1.21 117.98 117.75 2k07 s PHE 84 Ca 0.05 -0.09 0.11 0.00 -0.05 0.00 0.00 56.93 56.96 2k07 s PHE 84 Cb -0.01 0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 42.98 2k07 s PHE 84 CO -0.08 -0.98 -0.18 0.16 -0.05 0.00 0.00 175.22 174.09 2k07 s ASP 85 N -2.85 3.68 -0.71 1.98 -4.77 -1.25 -2.00 116.67 110.75 2k07 s ASP 85 Ca 0.09 -0.93 -0.08 0.00 -3.30 0.00 0.00 52.55 48.33 2k07 s ASP 85 Cb -0.03 -0.37 0.19 0.00 -1.09 0.00 0.00 42.92 41.62 2k07 s ASP 85 CO 0.00 0.06 0.58 -0.63 0.70 0.00 0.00 175.17 175.88 2k07 s ILE 86 N -2.26 4.56 0.95 2.11 -1.09 -0.25 -3.77 121.20 121.44 2k07 s ILE 86 Ca 0.28 -2.74 -0.10 0.00 -2.23 0.00 0.00 60.65 55.86 2k07 s ILE 86 Cb -0.06 -3.89 0.16 0.00 -1.58 0.00 0.00 42.46 37.10 2k07 s ILE 86 CO 0.14 -0.94 1.14 -2.16 -1.23 0.00 0.00 174.94 171.89 2k07 s PRO 87 N 0.05 0.77 0.00 2.79 0.04 -1.26 -4.89 135.00 132.50 2k07 s PRO 87 Ca 0.17 1.49 0.21 0.00 0.04 0.00 0.00 61.00 62.92 2k07 s PRO 87 Cb -0.16 -1.70 1.08 0.00 0.04 0.00 0.00 34.50 33.76 2k07 s PRO 87 CO -0.06 -2.79 1.67 -0.89 0.04 0.00 0.00 177.00 174.98 2k07 n ILE 88 N -4.34 0.32 1.48 0.56 5.41 -1.26 -2.05 119.36 119.48 2k07 n ILE 88 Ca 0.11 0.08 0.05 0.00 1.00 0.00 0.00 62.75 63.99 2k07 n ILE 88 Cb 0.52 -0.73 0.19 0.00 -0.71 0.00 0.00 39.64 38.90 2k07 n ILE 88 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k07 n THR 89 N -1.26 0.20 -2.65 1.39 -2.24 -1.26 -4.75 114.28 103.72 2k07 n THR 89 Ca 0.10 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 2k07 n THR 89 Cb 0.16 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 2k07 n THR 89 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2k07 s TYR 90 N -1.80 3.69 -0.89 4.78 5.04 -0.87 -0.44 117.35 126.87 2k07 s TYR 90 Ca 0.17 1.78 0.15 0.00 -2.44 0.00 0.00 57.07 56.73 2k07 s TYR 90 Cb 0.09 -3.08 0.67 0.00 0.35 0.00 0.00 41.96 39.99 2k07 s TYR 90 CO 0.13 -0.06 1.55 -0.35 -1.34 0.00 0.00 175.55 175.48 2k07 n PRO 91 N 0.93 3.79 -0.24 4.97 -0.04 -1.25 -3.97 135.00 139.19 2k07 n PRO 91 Ca 0.00 -2.61 0.01 0.00 -0.04 0.00 0.00 63.50 60.86 2k07 n PRO 91 Cb 0.48 -1.95 0.24 0.00 -0.04 0.00 0.00 33.50 32.22 2k07 n PRO 91 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k07 h THR 92 N 3.58 1.18 -4.36 0.52 2.02 -1.36 -3.41 112.91 111.08 2k07 h THR 92 Ca 0.00 -0.36 -0.63 0.00 0.77 0.00 0.00 66.41 66.19 2k07 h THR 92 Cb 1.49 0.04 -0.28 0.00 -1.74 0.00 0.00 68.15 67.66 2k07 h THR 92 CO 0.29 0.19 -0.86 -0.89 0.37 0.00 0.00 175.52 174.62 2k07 s THR 93 N -5.88 1.82 0.43 3.16 2.01 0.42 -4.60 115.64 113.00 2k07 s THR 93 Ca -0.11 -1.12 -0.24 0.00 0.31 0.00 0.00 61.69 60.53 2k07 s THR 93 Cb 0.18 -1.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.07 2k07 s THR 93 CO 0.79 0.39 1.20 0.00 -0.69 0.00 0.00 174.62 176.31 2k07 s ALA 94 N -0.66 3.09 0.51 7.40 0.00 -1.26 -4.18 121.76 126.65 2k07 s ALA 94 Ca 0.09 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.84 2k07 s ALA 94 Cb -0.09 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 2k07 s ALA 94 CO 0.00 -0.68 1.41 -1.25 0.00 0.00 0.00 175.76 175.24 2k07 s PRO 95 N -2.47 3.36 -0.59 0.00 0.04 -1.26 -4.93 135.00 129.14 2k07 s PRO 95 Ca 0.60 2.36 -0.25 0.00 0.04 0.00 0.00 61.00 63.74 2k07 s PRO 95 Cb -0.32 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 31.83 2k07 s PRO 95 CO 0.39 -1.06 1.05 -1.21 0.04 0.00 0.00 177.00 176.21 2k07 s GLU 96 N -2.71 3.34 0.11 4.56 2.02 -1.25 -4.97 118.70 119.79 2k07 s GLU 96 Ca 0.67 -0.20 -0.31 0.00 0.02 0.00 0.00 54.97 55.16 2k07 s GLU 96 Cb -0.43 -4.08 -0.07 0.00 0.10 0.00 0.00 34.13 29.66 2k07 s GLU 96 CO 0.53 -1.65 1.24 0.42 0.02 0.00 0.00 175.26 175.82 2k07 s ILE 97 N 4.42 3.75 0.00 -1.63 1.01 -1.26 -3.80 121.20 123.69 2k07 s ILE 97 Ca 0.33 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.29 2k07 s ILE 97 Cb -0.11 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2k07 s ILE 97 CO 0.19 0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.26 2k07 n ALA 98 N 3.54 0.00 -2.72 9.38 0.00 -0.35 -0.62 120.51 129.73 2k07 n ALA 98 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2k07 n ALA 98 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.91 2k07 n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k07 n VAL 99 N -1.75-10.68 0.34 0.00 0.31 -1.22 -4.24 118.33 101.10 2k07 n VAL 99 Ca 0.00 1.05 0.11 0.00 -0.01 0.00 0.00 64.34 65.49 2k07 n VAL 99 Cb 0.00 -6.99 0.50 0.00 -0.91 0.00 0.00 33.84 26.44 2k07 n VAL 99 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2k07 n PRO 100 N -0.08 0.18 0.08 5.55 -0.02 -1.25 -2.50 135.00 136.95 2k07 n PRO 100 Ca 0.08 0.47 -0.09 0.00 -2.02 0.00 0.00 63.50 61.94 2k07 n PRO 100 Cb 0.32 -1.88 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 2k07 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2k07 h GLU 101 N 0.00 0.08 -0.00 -0.52 4.57 -1.90 -3.26 114.58 113.55 2k07 h GLU 101 Ca 0.00 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2k07 h GLU 101 Cb 0.28 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2k07 h GLU 101 CO 0.00 1.03 -0.13 1.28 -1.18 0.00 0.00 179.01 180.01 2k07 n LEU 102 N -3.44 0.26 -4.68 1.64 4.77 -1.04 -4.77 117.00 109.74 2k07 n LEU 102 Ca -0.02 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 2k07 n LEU 102 Cb 0.94 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 2k07 n LEU 102 CO 0.49 0.05 1.45 -0.62 -1.33 0.00 0.00 177.39 177.43 2k07 s ASP 103 N -2.77 6.48 0.00 -1.43 2.15 -1.23 -1.02 116.67 118.85 2k07 s ASP 103 Ca 0.20 2.65 0.00 0.00 0.43 0.00 0.00 52.55 55.83 2k07 s ASP 103 Cb 0.19 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2k07 s ASP 103 CO 0.54 -0.98 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 2k07 n GLY 104 N 4.22 1.38 0.16 2.66 0.00 -1.26 -4.86 105.19 107.50 2k07 n GLY 104 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 2k07 n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k07 n LYS 105 N -2.00 0.53 -3.21 1.61 4.01 -0.19 -5.00 118.16 113.90 2k07 n LYS 105 Ca 0.00 0.22 -0.32 0.00 -0.51 0.00 0.00 58.31 57.70 2k07 n LYS 105 Cb 0.00 -1.41 -0.05 0.00 -0.51 0.00 0.00 35.03 33.06 2k07 n LYS 105 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2k07 s THR 106 N -2.68 4.79 -2.54 -0.18 -1.32 -0.89 -4.98 115.64 107.84 2k07 s THR 106 Ca -0.32 0.70 0.23 0.00 -1.21 0.00 0.00 61.69 61.10 2k07 s THR 106 Cb 0.09 -3.63 0.39 0.00 -1.51 0.00 0.00 72.50 67.84 2k07 s THR 106 CO 0.43 -0.19 1.41 0.00 -2.21 0.00 0.00 174.62 174.06 2k07 n ALA 107 N -0.42 2.44 -0.45 11.08 0.00 -1.26 -4.32 120.51 127.57 2k07 n ALA 107 Ca 0.02 -0.87 0.04 0.00 0.00 0.00 0.00 53.44 52.62 2k07 n ALA 107 Cb 0.53 -0.90 0.30 0.00 0.00 0.00 0.00 19.45 19.38 2k07 n ALA 107 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k07 n LYS 108 N 1.30 3.85 -4.58 0.00 4.76 -1.26 -4.86 118.16 117.37 2k07 n LYS 108 Ca 0.18 -2.39 -0.33 0.00 -2.87 0.00 0.00 58.31 52.91 2k07 n LYS 108 Cb 0.57 -2.08 -0.11 0.00 -1.84 0.00 0.00 35.03 31.57 2k07 n LYS 108 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2k07 s MET 109 N -2.35 2.56 0.14 1.97 -1.94 -1.26 -0.41 119.30 118.02 2k07 s MET 109 Ca 0.42 -0.69 0.08 0.00 -1.71 0.00 0.00 55.69 53.78 2k07 s MET 109 Cb 0.32 -2.49 -0.04 0.00 2.01 0.00 0.00 34.83 34.63 2k07 s MET 109 CO 0.12 0.62 -0.17 1.52 -0.01 0.00 0.00 175.02 177.10 2k07 s TYR 110 N -0.90 1.67 0.00 -0.03 1.13 -0.27 -4.80 117.35 114.15 2k07 s TYR 110 Ca 0.15 -0.49 0.00 0.00 -1.41 0.00 0.00 57.07 55.31 2k07 s TYR 110 Cb -0.11 -0.85 0.00 0.00 -1.10 0.00 0.00 41.96 39.90 2k07 s TYR 110 CO 0.05 0.25 0.00 -2.13 -2.51 0.00 0.00 175.55 171.21 2k07 n ARG 111 N 0.44 0.00 0.00 -3.49 3.00 -1.26 -3.91 116.66 111.44 2k07 n ARG 111 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 2k07 n ARG 111 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 2k07 n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k07 n GLY 112 N 0.00 -0.91 2.45 5.14 0.00 -1.26 -4.98 105.19 105.63 2k07 n GLY 112 Ca 0.00 0.55 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 2k07 n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k07 n GLY 113 N 0.00 4.88 2.95 -0.02 0.00 -1.26 -4.79 105.19 106.95 2k07 n GLY 113 Ca 0.00 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 2k07 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k07 s LYS 114 N 0.05 0.18 0.55 1.61 1.02 -1.25 -3.94 119.74 117.97 2k07 s LYS 114 Ca 0.58 0.61 -0.17 0.00 0.02 0.00 0.00 55.97 57.02 2k07 s LYS 114 Cb 0.18 -0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 37.10 2k07 s LYS 114 CO -0.08 -0.40 1.03 0.96 -0.92 0.00 0.00 175.35 175.94 2k07 s ILE 115 N 2.42 4.00 -0.22 2.17 -4.36 0.21 -1.11 121.20 124.30 2k07 s ILE 115 Ca 0.04 1.00 -0.07 0.00 -0.26 0.00 0.00 60.65 61.35 2k07 s ILE 115 Cb -0.13 -3.48 -0.03 0.00 1.25 0.00 0.00 42.46 40.06 2k07 s ILE 115 CO -0.10 -0.51 0.07 0.00 0.24 0.00 0.00 174.94 174.64 2k07 s LEU 117 N 1.16 2.81 0.80 0.00 1.43 -1.26 -4.94 118.68 118.67 2k07 s LEU 117 Ca 0.04 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 54.67 2k07 s LEU 117 Cb -0.14 -4.29 0.07 0.00 0.03 0.00 0.00 46.19 41.86 2k07 s LEU 117 CO 0.03 -2.05 1.10 0.42 0.23 0.00 0.00 176.35 176.09 2k07 s THR 118 N -2.98 3.06 0.54 5.49 -4.23 -1.26 -4.79 115.64 111.48 2k07 s THR 118 Ca 0.61 0.35 0.29 0.00 -1.18 0.00 0.00 61.69 61.77 2k07 s THR 118 Cb -0.16 -2.75 0.34 0.00 1.34 0.00 0.00 72.50 71.27 2k07 s THR 118 CO 0.56 -0.44 2.20 0.44 -0.54 0.00 0.00 174.62 176.84 2k07 h ASP 119 N -1.22 0.00 0.15 3.99 5.19 -2.02 -2.23 116.42 120.28 2k07 h ASP 119 Ca -0.44 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.62 2k07 h ASP 119 Cb 1.24 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.71 2k07 h ASP 119 CO 0.49 0.04 -2.09 1.41 -3.12 0.00 0.00 179.24 175.97 2k07 n HIS 120 N -3.76 0.81 0.02 4.55 8.25 -1.26 -4.45 115.22 119.38 2k07 n HIS 120 Ca -0.03 0.20 -0.10 0.00 -0.26 0.00 0.00 57.72 57.54 2k07 n HIS 120 Cb 0.13 -1.12 0.05 0.00 1.12 0.00 0.00 29.99 30.17 2k07 n HIS 120 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2k07 h PHE 121 N 0.04 0.65 0.11 4.41 3.57 -1.82 -2.36 116.94 121.54 2k07 h PHE 121 Ca -0.45 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 60.81 2k07 h PHE 121 Cb 2.02 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.63 2k07 h PHE 121 CO 0.05 0.98 -0.13 -0.22 -2.23 0.00 0.00 178.31 176.76 2k07 h LYS 122 N 0.37 -0.27 0.00 1.11 3.64 -1.63 -0.89 116.57 118.90 2k07 h LYS 122 Ca -0.01 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 2k07 h LYS 122 Cb 1.16 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2k07 h LYS 122 CO 0.11 -0.18 -0.33 -1.00 -2.27 0.00 0.00 179.45 175.78 2k07 h PRO 123 N -0.28 0.00 -0.70 1.90 0.13 -1.79 -3.16 132.00 128.10 2k07 h PRO 123 Ca 0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 2k07 h PRO 123 Cb 0.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.38 2k07 h PRO 123 CO -0.06 0.33 0.31 1.25 -0.23 0.00 0.00 178.00 179.61 2k07 h LEU 124 N 0.00 0.92 0.13 1.56 5.85 -0.81 -1.38 115.31 121.57 2k07 h LEU 124 Ca -0.00 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2k07 h LEU 124 Cb 0.87 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2k07 h LEU 124 CO 0.04 0.80 -0.31 -0.25 -0.34 0.00 0.00 178.44 178.38 2k07 h TRP 125 N 1.00 -0.85 0.00 1.25 2.91 -1.15 -1.19 115.95 117.92 2k07 h TRP 125 Ca 0.24 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.28 2k07 h TRP 125 Cb 0.14 0.36 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 2k07 h TRP 125 CO 0.01 -0.42 0.00 0.00 -1.03 0.00 0.00 178.44 177.00 2k07 n ALA 126 N -2.69 1.76 0.08 2.65 0.00 -1.09 -1.77 120.51 119.45 2k07 n ALA 126 Ca -0.07 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 2k07 n ALA 126 Cb 0.32 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.31 2k07 n ALA 126 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2k07 h ARG 127 N 0.00 0.00 0.14 0.00 1.12 -0.30 -3.35 114.38 112.00 2k07 h ARG 127 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.52 2k07 h ARG 127 Cb 0.41 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.36 2k07 h ARG 127 CO 0.00 0.80 -1.87 -0.91 -3.11 0.00 0.00 179.97 174.89 2k07 h ASN 128 N 0.00 0.47 -2.15 -3.80 -0.26 -0.42 -3.47 115.58 105.94 2k07 h ASN 128 Ca -0.02 -0.87 -0.63 0.00 -0.56 0.00 0.00 56.30 54.22 2k07 h ASN 128 Cb 1.65 -0.15 0.09 0.00 -1.06 0.00 0.00 38.32 38.84 2k07 h ASN 128 CO 0.10 1.76 0.29 0.52 -1.06 0.00 0.00 177.43 179.05 2k07 n VAL 129 N -3.50 1.11 -0.21 2.81 0.31 -0.87 -4.58 118.33 113.40 2k07 n VAL 129 Ca -0.27 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2k07 n VAL 129 Cb 1.06 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 2k07 n VAL 129 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2k07 n PRO 130 N 1.61 3.44 0.00 5.55 -0.04 -1.26 -5.00 135.00 139.30 2k07 n PRO 130 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2k07 n PRO 130 Cb 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 2k07 n PRO 130 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k07 n LYS 131 N 0.00 0.00 -1.17 0.54 4.76 -1.26 -4.93 118.16 116.10 2k07 n LYS 131 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 2k07 n LYS 131 Cb 0.00 -0.31 0.11 0.00 -1.84 0.00 0.00 35.03 33.00 2k07 n LYS 131 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2k07 s PHE 132 N 0.00 2.14 0.28 2.13 5.36 -1.26 -3.35 117.98 123.27 2k07 s PHE 132 Ca 0.00 1.65 0.02 0.00 -0.96 0.00 0.00 56.93 57.64 2k07 s PHE 132 Cb 0.00 -3.26 -0.03 0.00 -0.34 0.00 0.00 43.02 39.39 2k07 s PHE 132 CO 0.00 -2.31 0.26 0.20 -1.46 0.00 0.00 175.22 171.91 2k07 s GLY 133 N -2.74 1.79 0.12 13.12 0.00 -1.26 -4.81 107.32 113.54 2k07 s GLY 133 Ca 0.67 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.47 2k07 s GLY 133 CO 0.52 -1.34 1.37 -2.00 0.00 0.00 0.00 173.10 171.65 2k07 h LEU 134 N 2.32 0.95 -1.85 0.66 5.85 -1.96 -2.68 115.31 118.59 2k07 h LEU 134 Ca -0.30 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 57.86 2k07 h LEU 134 Cb 1.24 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2k07 h LEU 134 CO 0.43 1.36 0.02 0.00 -0.34 0.00 0.00 178.44 179.90 2k07 h ALA 135 N 0.64 1.88 -0.16 1.25 0.00 -1.92 -0.20 119.26 120.77 2k07 h ALA 135 Ca -0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2k07 h ALA 135 Cb 1.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2k07 h ALA 135 CO 0.14 0.10 -0.32 0.45 0.00 0.00 0.00 179.25 179.62 2k07 h HIS 136 N 0.11 0.35 -0.31 0.00 3.86 -1.87 -2.63 115.15 114.66 2k07 h HIS 136 Ca 0.03 -0.08 -0.12 0.00 -1.16 0.00 0.00 60.37 59.04 2k07 h HIS 136 Cb 0.05 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 2k07 h HIS 136 CO 0.00 0.60 -0.31 1.25 0.86 0.00 0.00 177.93 180.32 2k07 h LEU 137 N 0.27 0.69 -0.52 2.43 5.85 -0.86 0.80 115.31 123.97 2k07 h LEU 137 Ca 0.04 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 2k07 h LEU 137 Cb 0.70 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2k07 h LEU 137 CO 0.05 0.96 0.04 0.24 -0.34 0.00 0.00 178.44 179.39 2k07 h MET 138 N 0.57 0.88 0.00 1.25 2.86 -1.16 0.13 114.93 119.47 2k07 h MET 138 Ca 0.07 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2k07 h MET 138 Cb 0.82 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2k07 h MET 138 CO 0.07 0.89 -0.00 0.00 1.06 0.00 0.00 176.91 178.93 2k07 h ALA 139 N 0.96 -0.00 -0.01 6.32 0.00 -1.36 -2.53 119.26 122.63 2k07 h ALA 139 Ca 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k07 h ALA 139 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k07 h ALA 139 CO 0.02 -0.06 -0.42 1.28 0.00 0.00 0.00 179.25 180.07 2k07 n LEU 140 N -4.67 1.21 0.01 0.00 4.77 0.26 -4.14 117.00 114.44 2k07 n LEU 140 Ca -0.09 -0.37 -0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2k07 n LEU 140 Cb 0.42 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2k07 n LEU 140 CO 0.33 0.24 -0.02 0.61 -1.33 0.00 0.00 177.39 177.21 2k07 n GLY 141 N 1.40 -0.01 0.08 -0.72 0.00 0.34 -4.68 105.19 101.59 2k07 n GLY 141 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 2k07 n GLY 141 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k07 h LEU 142 N -0.04 0.12 0.32 0.99 5.85 -1.19 -1.24 115.31 120.13 2k07 h LEU 142 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2k07 h LEU 142 Cb 0.04 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2k07 h LEU 142 CO 0.00 0.11 -0.44 1.23 -0.34 0.00 0.00 178.44 179.00 2k07 h GLY 143 N 0.13 -1.18 0.75 3.75 0.00 -1.61 -0.30 103.07 104.61 2k07 h GLY 143 Ca 0.04 0.57 0.10 0.00 0.00 0.00 0.00 47.33 48.04 2k07 h GLY 143 CO -0.01 -0.34 0.56 -2.55 0.00 0.00 0.00 176.54 174.20 2k07 h PRO 144 N -0.79 0.82 -0.29 4.80 0.11 -1.74 -2.35 132.00 132.56 2k07 h PRO 144 Ca -0.04 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 2k07 h PRO 144 Cb 0.71 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 2k07 h PRO 144 CO -0.11 0.55 0.15 2.35 -0.21 0.00 0.00 178.00 180.72 2k07 h TRP 145 N 0.85 0.41 -0.69 0.65 7.01 -0.81 -2.51 115.95 120.85 2k07 h TRP 145 Ca 0.40 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.37 2k07 h TRP 145 Cb 0.41 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 2k07 h TRP 145 CO -0.00 0.36 0.35 -0.07 -2.79 0.00 0.00 178.44 176.29 2k07 h LEU 146 N 0.35 0.87 0.00 0.65 3.38 -0.63 -1.54 115.31 118.39 2k07 h LEU 146 Ca 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k07 h LEU 146 Cb 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2k07 h LEU 146 CO -0.01 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.24 2k07 n ALA 147 N -2.44 1.69 0.13 1.53 0.00 -0.92 -1.55 120.51 118.94 2k07 n ALA 147 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2k07 n ALA 147 Cb 0.12 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.26 2k07 n ALA 147 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k07 h VAL 148 N 0.00 0.57 0.00 0.00 2.07 -0.97 -3.43 116.25 114.49 2k07 h VAL 148 Ca 0.00 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2k07 h VAL 148 Cb 0.25 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2k07 h VAL 148 CO 0.00 0.13 -0.05 -1.84 0.02 0.00 0.00 177.57 175.83 2k07 n GLU 149 N -5.06 0.00 0.01 1.57 0.28 -1.22 -4.72 120.64 111.51 2k07 n GLU 149 Ca -0.08 -0.51 -0.13 0.00 -0.16 0.00 0.00 57.16 56.28 2k07 n GLU 149 Cb 0.26 -0.45 -0.09 0.00 1.43 0.00 0.00 31.44 32.58 2k07 n GLU 149 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2k07 h ILE 150 N 3.44 1.27 -0.20 3.84 1.08 -1.55 0.20 117.51 125.59 2k07 h ILE 150 Ca 0.00 -1.05 0.03 0.00 -0.39 0.00 0.00 64.86 63.45 2k07 h ILE 150 Cb 1.04 1.96 -0.01 0.00 -3.07 0.00 0.00 36.82 36.74 2k07 h ILE 150 CO 0.00 0.26 0.14 1.55 -0.69 0.00 0.00 178.15 179.41 2k07 h PRO 151 N -0.52 0.16 -0.30 2.37 0.13 -1.86 -2.26 132.00 129.71 2k07 h PRO 151 Ca -0.01 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.06 2k07 h PRO 151 Cb 0.47 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 2k07 h PRO 151 CO 0.01 0.10 -0.01 0.22 -0.23 0.00 0.00 178.00 178.09 2k07 h ASP 152 N 0.16 0.53 -0.94 1.44 3.58 -1.80 -1.36 116.42 118.04 2k07 h ASP 152 Ca 0.08 -0.32 0.09 0.00 0.42 0.00 0.00 57.03 57.31 2k07 h ASP 152 Cb 0.14 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 40.98 2k07 h ASP 152 CO -0.01 0.72 0.60 0.25 -2.88 0.00 0.00 179.24 177.92 2k07 h LEU 153 N 0.33 0.87 -0.27 2.28 5.85 -0.03 0.35 115.31 124.69 2k07 h LEU 153 Ca 0.08 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2k07 h LEU 153 Cb 0.45 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2k07 h LEU 153 CO 0.02 0.51 -0.12 0.40 -0.34 0.00 0.00 178.44 178.91 2k07 h ILE 154 N 0.97 1.29 0.00 4.05 2.04 -1.24 -3.00 117.51 121.62 2k07 h ILE 154 Ca 0.43 -1.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 2k07 h ILE 154 Cb 0.37 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2k07 h ILE 154 CO -0.19 0.38 -0.15 1.56 0.00 0.00 0.00 178.15 179.74 2k07 h GLN 155 N 0.31 0.00 0.00 2.37 1.08 -0.11 -1.94 115.11 116.81 2k07 h GLN 155 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2k07 h GLN 155 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2k07 h GLN 155 CO 0.04 0.15 0.00 0.87 -0.95 0.00 0.00 178.83 178.94 2k07 h LYS 156 N 0.00 0.00 0.00 1.46 1.57 -0.23 -3.46 116.57 115.91 2k07 h LYS 156 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k07 h LYS 156 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2k07 h LYS 156 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 2k07 n GLY 157 N -0.50 0.73 0.12 3.86 0.00 -0.73 -4.98 105.19 103.70 2k07 n GLY 157 Ca -0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 2k07 n GLY 157 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k07 h VAL 158 N 0.00 1.00 -3.61 1.61 2.07 -1.69 -3.44 116.25 112.18 2k07 h VAL 158 Ca 0.00 -2.38 -0.68 0.00 0.82 0.00 0.00 66.70 64.46 2k07 h VAL 158 Cb 0.43 2.67 -0.26 0.00 -1.52 0.00 0.00 31.29 32.62 2k07 h VAL 158 CO 0.00 0.69 -0.61 -0.63 0.02 0.00 0.00 177.57 177.05 2k07 s ILE 159 N -2.47 4.06 -0.19 4.57 1.01 -1.26 -5.07 121.20 121.84 2k07 s ILE 159 Ca -0.21 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2k07 s ILE 159 Cb 0.05 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2k07 s ILE 159 CO 0.75 0.05 -0.09 -1.58 0.00 0.00 0.00 174.94 174.08 2k07 s GLN 160 N 1.51 3.32 -0.04 2.79 0.74 -1.26 -4.85 119.66 121.88 2k07 s GLN 160 Ca 0.03 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.79 2k07 s GLN 160 Cb -0.17 -2.86 0.01 0.00 1.10 0.00 0.00 33.01 31.09 2k07 s GLN 160 CO 0.03 -0.11 -0.07 -1.58 -0.55 0.00 0.00 175.29 173.01 2k07 s HIS 161 N 1.20 0.87 0.00 1.67 2.46 -1.26 -5.09 115.29 115.14 2k07 s HIS 161 Ca 0.02 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.31 2k07 s HIS 161 Cb -0.14 -0.68 0.00 0.00 -0.13 0.00 0.00 32.58 31.63 2k07 s HIS 161 CO -0.03 -0.15 0.05 1.63 -2.47 0.00 0.00 174.74 173.77 2k07 n LYS 162 N 3.66 0.00 -4.07 2.88 4.76 -1.26 -5.02 118.16 119.11 2k07 n LYS 162 Ca -0.22 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 54.98 2k07 n LYS 162 Cb 0.53 -0.45 -0.06 0.00 -1.84 0.00 0.00 35.03 33.20 2k07 n LYS 162 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2k07 s GLU 163 N -0.11 2.26 -0.18 1.97 0.41 -1.26 -5.04 118.70 116.75 2k07 s GLU 163 Ca 0.00 -1.84 -0.06 0.00 -0.41 0.00 0.00 54.97 52.66 2k07 s GLU 163 Cb 0.00 -2.02 -0.22 0.00 -1.78 0.00 0.00 34.13 30.12 2k07 s GLU 163 CO 0.00 -0.17 0.12 1.63 -0.49 0.00 0.00 175.26 176.36 2k07 n LYS 164 N -1.31 0.70 0.00 1.61 5.02 -1.26 -4.97 118.16 117.95 2k07 n LYS 164 Ca -0.01 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 2k07 n LYS 164 Cb 0.64 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2k07 n LYS 164 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k07 s ASN 166 N -2.37 6.15 -0.16 0.00 2.20 -1.26 -5.10 114.94 114.41 2k07 s ASN 166 Ca 0.00 0.32 -0.06 0.00 -0.94 0.00 0.00 52.86 52.18 2k07 s ASN 166 Cb 0.00 -1.90 -0.04 0.00 -2.00 0.00 0.00 41.25 37.31 2k07 s ASN 166 CO 0.00 0.32 0.06 -1.58 -2.94 0.00 0.00 177.10 172.95 2k07 s GLN 167 N -1.56 3.73 -0.55 3.55 0.74 -1.26 -5.04 119.66 119.26 2k07 s GLN 167 Ca 0.22 -0.34 -0.27 0.00 0.05 0.00 0.00 55.36 55.02 2k07 s GLN 167 Cb -0.12 -3.12 -0.01 0.00 1.10 0.00 0.00 33.01 30.86 2k07 s GLN 167 CO 0.12 0.41 1.70 -1.17 -0.55 0.00 0.00 175.29 175.80 2k07 s LEU 168 N -0.02 3.35 0.50 3.68 2.96 -1.26 -4.94 118.68 122.95 2k07 s LEU 168 Ca 0.06 0.46 -0.23 0.00 -0.22 0.00 0.00 54.13 54.20 2k07 s LEU 168 Cb -0.12 -2.85 -0.06 0.00 0.50 0.00 0.00 46.19 43.65 2k07 s LEU 168 CO 0.01 -2.05 1.37 -0.70 -1.32 0.00 0.00 176.35 173.66 2k07 s GLU 169 N 6.32 3.42 -0.44 1.98 2.56 -1.26 -4.96 118.70 126.31 2k07 s GLU 169 Ca 0.64 2.27 -0.08 0.00 0.00 0.00 0.00 54.97 57.80 2k07 s GLU 169 Cb -0.14 -2.44 0.11 0.00 2.00 0.00 0.00 34.13 33.66 2k07 s GLU 169 CO 0.24 -0.98 0.29 -3.38 -0.56 0.00 0.00 175.26 170.87 2k07 s HIS 170 N -1.28 3.43 -0.15 5.30 -3.43 -1.26 -5.04 115.29 112.86 2k07 s HIS 170 Ca 0.66 -1.88 0.01 0.00 -0.80 0.00 0.00 55.06 53.05 2k07 s HIS 170 Cb -0.41 -3.27 0.02 0.00 -1.43 0.00 0.00 32.58 27.49 2k07 s HIS 170 CO 0.50 -0.95 -0.17 -1.58 -2.00 0.00 0.00 174.74 170.54 2k07 s HIS 171 N 1.33 2.41 0.31 0.38 2.46 -1.26 -5.12 115.29 115.80 2k07 s HIS 171 Ca 0.05 -1.33 -0.16 0.00 0.47 0.00 0.00 55.06 54.09 2k07 s HIS 171 Cb -0.25 -1.71 -0.09 0.00 -0.13 0.00 0.00 32.58 30.41 2k07 s HIS 171 CO -0.01 -0.68 0.74 -1.01 -2.47 0.00 0.00 174.74 171.31 2k07 s HIS 172 N 1.25 3.42 -0.18 3.88 3.76 -1.26 -5.04 115.29 121.12 2k07 s HIS 172 Ca 0.01 1.26 -0.25 0.00 -0.15 0.00 0.00 55.06 55.93 2k07 s HIS 172 Cb -0.14 -2.56 -0.01 0.00 1.11 0.00 0.00 32.58 30.99 2k07 s HIS 172 CO -0.09 0.13 0.83 -1.58 -0.85 0.00 0.00 174.74 173.19 2k07 s HIS 173 N -1.90 3.40 0.31 1.40 2.46 -1.26 -4.96 115.29 114.74 2k07 s HIS 173 Ca 0.52 1.24 0.05 0.00 0.47 0.00 0.00 55.06 57.34 2k07 s HIS 173 Cb -0.11 -3.02 0.68 0.00 -0.13 0.00 0.00 32.58 29.99 2k07 s HIS 173 CO 0.18 -0.27 1.84 0.45 -2.47 0.00 0.00 174.74 174.48 2k07 h HIS 174 N 7.38 1.01 0.00 3.88 3.86 -2.08 -3.58 115.15 125.63 2k07 h HIS 174 Ca -0.28 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 2k07 h HIS 174 Cb 1.12 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2k07 h HIS 174 CO 0.72 0.38 0.00 1.58 0.86 0.00 0.00 177.93 181.47